Keyword search (3,448 papers available)


In silico molecular targets, docking, dynamics simulation and physiologically based pharmacokinetics modeling of oritavancin

Author(s): Fatoki TH; Balogun TC; Ojewuyi AE; Omole AC; Olukayode OV; Adewumi AP; Umesi AJ; Ijeoma NP; Apooyin AE; Chinedu CP; Idowu IE; Isah MJ;...

Introduction: Oritavancin is a semi-synthetic lipoglycopeptide antibiotic primarily used to treat serious infections caused by Gram-positive bacteria. The aim of this study was to elucidate possibl...

Article GUID: 39439008

Crystal structure and Hirshfeld surface analysis of tri-chlorido-(1,10-phenanthroline-κ2 N,N')phenyltin(IV)

Author(s): Benlatreche T; Bensegueni MA; Dénès G; Golhen S; Merazig H;

The title compound, [Sn(C6H5)Cl3(C12H8N2)], which was obtained by the reaction between 1,10-phenanthroline and phenyl-tin trichloride in methanol, exhibits intra-molecular hydrogen-bonding inter-actions involving the chlorine and hydrogen atoms. Crystal coh...

Article GUID: 39372187

Exploring global oceanic persistence and ecological effects of legacy persistent organic pollutants across five decades

Author(s): Zhang X; Li L; Xie Z; Ma J; Li YF; Cai M; Ren NQ; Kallenborn R; Zhang ZF; Zhang X; C G Muir D;...

Global monitoring of persistent organic pollutants (POPs) has intensified following regulatory efforts aimed at reducing their release. In this context, we compiled over 10,000 POP measurements, re...

Article GUID: 39321284

Emerging hazardous chemicals and biological pollutants in Canadian aquatic systems and remediation approaches: A comprehensive status report

Author(s): Adeola AO; Paramo L; Fuoco G; Naccache R;

Emerging contaminants can be natural or synthetic materials, as well as materials of a chemical, or biological origin; these materials are typically not controlled or monitored in the environment. Canada is home to nearly 7 % of the world's renewable wa...

Article GUID: 39278485

DNA Replication across α-l-(3'-2')-Threofuranosyl Nucleotides Mediated by Human DNA Polymerase η

Author(s): Tomar R; Ghodke PP; Patra A; Smyth E; Pontarelli A; Copp W; Guengerich FP; Chaput JJ; Wilds CJ; Stone MP; Egli M;...

a-l-(3'-2')-Threofuranosyl nucleic acid (TNA) pairs with itself, cross-pairs with DNA and RNA, and shows promise as a tool in synthetic genetics, diagnostics, and oligonucleotide therapeuti...

Article GUID: 39259676

Charge separation in a copper(I) donor-chromophore-acceptor assembly for both photoanode and photocathode sensitization

Author(s): Singh Z; Chiong JD; Ricardo-Noordberg JF; Kamal S; Majewski MB;

A copper(I) donor-chromophore-acceptor triad bearing 1,8-napthalenemonoimide as the electron acceptor and triphenylamine as the electron donor was synthesized. Photophysical and electrochemical characterization suggest stepwise photoinduced charge separatio...

Article GUID: 39258478

Investigating the kinetics of marine and terrestrial organic carbon incorporation and degradation in coastal bulk sediment and water settings through isotopic lenses

Author(s): Mirzaei Y; Gélinas Y;

Coastal sediments are the main deposition center for allochthonous and autochthonous organic carbon (OC). The discharge of terrestrial biomass, anthropogenic activities, oceanic primary productivity, and natural events contribute to this carbon pool. The OC...

Article GUID: 39117203

Synthesis, Characterization and Photophysical Properties of a New Family of Rare-earth Cluster-based Metal-organic Frameworks

Author(s): Bicalho HA; Copeman C; Barbosa HP; Donnarumma PR; Davis Z; Quezada-Novoa V; Velazquez-Garcia JJ; Liu N; Hemmer E; Howarth AJ;...

In this work, nine new rare-earth metal-organic frameworks (RE-MOFs, where RE = Lu(III), Yb(III), Tm(III), Er(III), Ho(III), Dy(III), Tb(III), Gd(III), and Eu(III)) isostructural to Zr-MOF-808 are ...

Article GUID: 39105655

Evidence of isochorismate channeling between the Escherichia coli enterobactin biosynthetic enzymes EntC and EntB

Author(s): Bin X; Pawelek PD;

Enterobactin is a high-affinity iron chelator produced and secreted by Escherichia coli and Salmonella typhimurium to scavenge scarce extracellular Fe3+ as a micronutrient. EntC and EntB are the first two enzymes in the enterobactin biosynthetic pathway. Is...

Article GUID: 39031458

Enhanced binding of guanylated poly(A) RNA by the LaM domain of LARP1

Author(s): Kozlov G; Jiang J; Rutherford T; Noronha AM; Wilds CJ; Gehring K;

La-related proteins (LARPs) are a family of RNA-binding proteins that share a conserved La motif (LaM) domain. LARP1 plays a role in regulating ribosomal protein synthesis and stabilizing mRNAs and has a unique structure without an RNA binding RRM domain ad...

Article GUID: 39016322

Metabolomics 2023 workshop report: moving toward consensus on best QA/QC practices in LC-MS-based untargeted metabolomics

Author(s): Mosley JD; Dunn WB; Kuligowski J; Lewis MR; Monge ME; Ulmer Holland C; Vuckovic D; Zanetti KA; Schock TB;...

Introduction: During the Metabolomics 2023 conference, the Metabolomics Quality Assurance and Quality Control Consortium (mQACC) presented a QA/QC workshop for LC-MS-based untargeted metabolomics. ...

Article GUID: 38980450

Mechanochemical Synthesis of Boroxine-linked Covalent Organic Frameworks

Author(s): Hamzehpoor E; Effaty F; Borchers TH; Stein RS; Wahrhaftig-Lewis A; Ottenwaelder X; Frišcic T; Perepichka DF;...

We report a rapid, room-temperature mechanochemical synthesis of 2- and 3-dimensional boroxine covalent organic frameworks (COFs), enabled by using trimethylboroxine as a dehydrating additive to ov...

Article GUID: 38970305

Molecular copper(I)-sensitized photoanodes for alcohol oxidation under ambient conditions

Author(s): Ricardo-Noordberg J; Kamal S; Majewski M;

Dye-sensitized photoelectrochemical cells can enable the production of molecules currently accessible through energetically demanding syntheses. Copper(I)-based dyes represent electronically tunable charge transfer and separation systems. Herein, we report ...

Article GUID: 38932662

Fabrication of thermo-responsive multicore microcapsules using a facile extrusion process

Author(s): Lavertu JD; Bawa KK; Hrapovic S; Fu D; Oh JK; Hemraz UD;

A process employing extrusion was used to produce multicore microcapsules composed of multiple beads. The inner beads were made from ?-carrageenan (?-c), a thermo-responsive linear sulphated polymer whose gelling temperature ranges at 40-60 °C, depending on...

Article GUID: 38915334

Efficient Decaffeination with Recyclable Magnetic Microporous Carbon from Renewable Sources: Kinetics and Isotherm Analysis

Author(s): Duarte MP; Adeola AO; Fuoco G; Jargaille TJ; Naccache R;

Rapid global urbanization and population growth have ignited an alarming surge in emerging contaminants in water bodies, posing health risks, even at trace concentrations. To address this challenge, novel water treatment and reuse technologies are required ...

Article GUID: 38909946

A Modular and Catalytic Methodology To Access 2,5-Furan-Based Phenylene/Thiophene Oligomers through a One-Pot Decarboxylative Cross-Coupling from 5-Bromofurfural

Author(s): Cigana B; Lapointe V; Majewski MB; Forgione P;

A library of 2,5-furan-based phenylene/thiophene oligomers were synthesized starting from 5-bromofurfural, a derivative of biomass-derived furfural. Varied electronic groups are coupled onto the furan motif, followed by the installation of a phenylene or th...

Article GUID: 38808994

Ultraviolet absorption spectra of substituted phenols: a computational study

Author(s): Lei Zhang

Vertical excitation energies for electronic transitions from the ground state to the first two excited states of phenol, mono- and disubstituted methoxyphenols and methyl-substituted phenols have been characterized with the Time-Dependent Density Functional...

Article GUID: 16313201

Toward a reversible isolation of a C20 fullerene inside a tetraureacalix[4]arene dimer. A theoretical study

Author(s): Grygoriy Dolgonos

The potential stabilization of normally unstable C20, the smallest fullerene, via its encapsulation inside a tetraureacalix[4]arene dimer has been analyzed using molecular mechanics calculations with different force fields, the self-consistent-charge densit...

Article GUID: 16869690

Hydrolysis of N-sulfinylamines and isocyanates: a computational comparison

Author(s): Elena V Ivanova

A comparative study of the concerted hydrolysis of H-, CF3-, CH3-, and Ph-substituted N-sulfinylamines (R-NSO) and isocyanates (R-NCO) was performed using B3LYP/6-31+G(2d,2p). The "two-water-molecule" model was found to be sufficient for a proper descriptio...

Article GUID: 17915846

Characterizing nitrilimines with nuclear magnetic resonance spectroscopy. A theoretical study

Author(s): Robert C Mawhinney

The 13C chemical shifts in selected nitrilimines, nitriles, acetylenes, allenes, and singlet carbenes have been calculated using density-functional theory [PBE0/6-311++G(2df,pd)] and the gauge including atomic orbital (GIAO) method. The effects of substitut...

Article GUID: 18062684

Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study

Author(s): Denise M Koch

Sodium iodide has long been a paradigm for ionic and covalent curve crossing and ultrafast nonadiabatic dynamics, and our interest lies in the influence of solvation on this process. The NaI(H2O)n photodissociation dynamics are simulated with the molecular ...

Article GUID: 18183959

Structure and stability of HSNO, the simplest S-nitrosothiol

Author(s): Qadir K Timerghazin

High-level ab initio calculations employing the CCSD and CCSD(T) coupled cluster methods with a series of systematically convergent correlation-consistent basis sets have been performed to obtain accurate molecular geometry and energetic properties of the s...

Article GUID: 18327309

Changes in the isotropic shielding of the 17O nucleus upon torsion in terminal oxygen systems: a computational study on their origin

Author(s): Heidi M Muchall

We are presenting a computational study on the isotropic shielding, charge, and orbital contributions to the shielding of oxygen in benzaldehydes (Ar-CHO), nitrobenzenes (Ar-NO2), phenyl isocyanates (Ar-NCO), anilides (Ar-NHCOCH3), and N-sulfinylamines (Ar-...

Article GUID: 18754608

New insights into the use of (TD-)DFT for geometries and electronic structures of constrained pi-stacked systems: [n.n]paracyclophanes

Author(s): Kamya PR; Muchall HM;

We have evaluated the performance of three (TD-)DFT functionals with the 6-31+G(d,p) basis set for the reproduction of experimental geometries, vertical ionization potentials, and low excitation energies of a selection of [2.2] and [3.3]paracyclophanes. Ove...

Article GUID: 19055395

DFT-B3LYP, NPA-, and QTAIM-based study of the physical properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) complexes

Author(s): Varadwaj PR; Varadwaj A; Marques HM;

A density functional theory study of the structure of the title compounds with the divalent metal ions in their high-spin ground state, obtained using B3LYP/6-311++G(d,p) in vacuo and in aqueous solution simulated using a polarized continuum medium, is repo...

Article GUID: 21568260

Revisiting the effects of sequence and structure on the hydrogen bonding and π-stacking interactions in nucleic acids

Author(s): Kamya PR; Muchall HM;

Calculated electron densities from PBE0/6-31+G(d,p) were analyzed with respect to the hydrogen bonding within a nucleic acid base pair and the p-stacking between sets of base pairs. From published X-ray crystallographic data, base pairs were isolated from a...

Article GUID: 21721560

Computational insight into the carbenic character of nitrilimines from a reactivity perspective

Author(s): Heidi M Muchall

Nitrilimines (R-CNN-R) can be described through a carbenic valence bond structure, and although intermolecular carbenic reactions from nitrilimines are unknown, intramolecular reaction products from ortho-vinyl MeCOO-CNN-Ph (1) and Ph-CNN-Ph (2) that seem t...

Article GUID: 21974693

Photoinduced electron transfer and solvation dynamics in aqueous clusters: comparison of the photoexcited iodide-water pentamer and the water pentamer anion

Author(s): Mak CC; Timerghazin QK; Peslherbe GH;

Upon photoexcitation of iodide-water clusters, I(-)(H(2)O)(n), an electron is transferred from iodide to a diffuse cluster-supported, dipole-bound orbital. Recent femtosecond photoelectron spectroscopy experiments have shown that, for photoexcited I(-)(H(2)...

Article GUID: 22466252

Substituent effects in the absorption spectra of phenol radical species: origin of the redshift caused by 3,5-dimethoxyl substitution

Author(s): Zhang L; Muchall HM; Peslherbe GH;

The ground-state equilibrium geometries, electronic structures and vertical excitation energies of methyl- and methoxyl-substituted phenol radical cations and phenoxyl radicals have been investigated using time-dependent density-functional theory (namely TD...

Article GUID: 23216064

Computational investigation of the hydration of alkyl diammonium chlorides and their effect on THF/water phase separation

Author(s): Jahangiri S; Mercer SM; Jessop PG; Peslherbe GH;

The solvation behavior of alkyl diammonium chlorides of varying alkyl chain length and the molecular details of their effect on the salting-out of organic molecules in aqueous phase have been investigated by classical molecular dynamics simulations. More sp...

Article GUID: 23789929

Photoexcitation and charge-transfer-to-solvent relaxation dynamics of the I(-)(CH3CN) complex

Author(s): Mak CC; Timerghazin QK; Peslherbe GH;

Photoexcitation of iodide-acetonitrile clusters, I(-)(CH3CN)n, to the charge-transfer-to-solvent (CTTS) state and subsequent cluster relaxation could result in the possible formation of cluster analogues of the bulk solvated electron. In this work, the rela...

Article GUID: 23819756

Relaxation pathways of photoexcited iodide-methanol clusters: a computational investigation

Author(s): Mak CC; Peslherbe GH;

Upon photoexcitation of iodide-methanol clusters, I(-)(CH3OH)n, to a charge-transfer-to-solvent (CTTS) excited state, extensive relaxation was found to occur, accompanied by a convoluted modulation of the stability of the excited electron, which ultimately ...

Article GUID: 24922343

Effects of Cholesterol on the Thermodynamics and Kinetics of Passive Transport of Water through Lipid Membranes

Author(s): Bilkiss B Issack

While it has long been known that cholesterol reduces the permeability of biological membranes to water, the exact mechanism by which cholesterol influences transmembrane permeation is still unclear. The thermodynamic and kinetic contributions to the transp...

Article GUID: 25679811

Parameterization of Halogens for the Density-Functional Tight-Binding Description of Halide Hydration

Author(s): Soran Jahangiri

Parameter sets of the self-consistent-charge density-functional tight-binding model with and without its third-order extension have been developed to describe the interatomic interactions of halogen elements (X = Cl, Br, I) with hydrogen and oxygen, with th...

Article GUID: 26584090

Benchmarking Rapid TLES Simulations of Gas Diffusion in Proteins: Mapping O2 Migration and Escape in Myoglobin as a Case Study

Author(s): Maria S Shadrina

Standard molecular dynamics (MD) simulations of gas diffusion consume considerable computational time and resources even for small proteins. To combat this, temperature-controlled locally enhanced sampling (TLES) examines multiple diffusion trajectories per...

Article GUID: 26938707

Secondary Structure Stabilization of Macrocyclic Antimicrobial Peptides via Cross-Link Swapping

Author(s): Nazeer N; Kooner N; Ghimire A; Rainey JK; Lubell WD; Meneksedag-Erol D; Ahmed M;

Lactam cross-links have been employed to stabilize the helical secondary structure and enhance the activity and physiological stability of antimicrobial peptides; however, stabilization of ß-sheets via lactamization has not been observed. In the present stu...

Article GUID: 38771638

Non-invasive paper-based sensors containing rare-earth-doped nanoparticles for the detection of D-glucose

Author(s): López-Peña G; Ortiz-Mansilla E; Arranz A; Bogdan N; Manso-Silván M; Martín Rodríguez E;

Today, diabetes mellitus is one of the most common diseases that affects the population on a worldwide scale. Patients suffering from this disease are required to control their blood-glucose levels several times a day through invasive methods such as pierci...

Article GUID: 38729020

A chloromethyl-triazole fluorescent chemosensor for O6-methylguanine DNA methyltransferase

Author(s): Ayan S; Rotaru AM; Kaye EG; Juneau G; Das S; Wilds CJ; Beharry AA;

Fluorescent chemosensors offer a direct means of measuring enzyme activity for cancer diagnosis, predicting drug resistance, and aiding in the discovery of new anticancer drugs. O6-methylguanine DNA methyltransferase (MGMT) is a predictor of resistance towa...

Article GUID: 38502038

Design, Synthesis, and Acid-Responsive Disassembly of Shell-Sheddable Block Copolymer Labeled with Benzaldehyde Acetal Junction

Author(s): Andrade-Gagnon B; Casillas-Popova SN; Jazani AM; Oh JK;

Smart nanoassemblies degradable through the cleavage of acid-labile linkages have attracted significant attention because of their biological relevance found in tumor tissues. Despite their high potential to achieve controlled/enhanced drug release, a syste...

Article GUID: 38499007

Organic matter preservation through complexation with iron minerals in two basins of a dimictic boreal lake with contrasting deep water redox regimes

Author(s): Joshani A; Mirzaei Y; Barber A; Balind K; Gobeil C; Gélinas Y;

The biogeochemical cycles of iron and organic carbon (OC) are closely interconnected in terrestrial and aquatic systems. In ocean waters, the concentration of reactive Fe is tightly controlled by soluble organic ligands. In soils, Fe stabilizes OC by formin...

Article GUID: 38499107

Effects of increasing ligand conjugation in Cu(I) photosensitizers on NiO semiconductor surfaces

Author(s): Singh Z; Chiong JD; Kamal S; Majewski MB;

Dye-sensitized photoelectrodes may be used as heterogeneous components for fuel-forming reactions in photoelectrochemical cells. There has been increasing interest in developing Earth-abundant cheaper photosensitizers based on first-row transition metals. W...

Article GUID: 38497406

Bioretention Design Modifications Increase the Simulated Capture of Hydrophobic and Hydrophilic Trace Organic Compounds

Author(s): Rodgers TFM; Spraakman S; Wang Y; Johannessen C; Scholes RC; Giang A;

Stormwater rapidly moves trace organic contaminants (TrOCs) from the built environment to the aquatic environment. Bioretention cells reduce loadings of some TrOCs, but they struggle with hydrophilic compounds. Herein, we assessed the potential to enhance T...

Article GUID: 38483320

Insights into dietary phytochemicals targeting Parkinson's disease key genes and pathways: A network pharmacology approach

Author(s): Sasikumar DSN; Thiruselvam P; Sundararajan V; Ravindran R; Gunasekaran S; Madathil D; Kaliamurthi S; Peslherbe GH; Selvaraj G; Sudhakaran SL...

Parkinson's disease (PD) is a complex neurological disease associated with the degeneration of dopaminergic neurons. Oxidative stress is a key player in instigating apoptosis in dopaminergic ne...

Article GUID: 38460310

Understanding the Retention of Vaping Additives in the Lungs: Model Lung Surfactant Membrane Perturbation by Vitamin E and Vitamin E Acetate

Author(s): Taktikakis P; Côté M; Subramaniam N; Kroeger K; Youssef H; Badia A; DeWolf C;

Deviations from the normal physicochemical and functional properties of pulmonary surfactants are associated with the incidence of lung injury and other respiratory disorders. This study aims to evaluate the alteration of the 2D molecular organization and m...

Article GUID: 38437623

Establishing a framework for best practices for quality assurance and quality control in untargeted metabolomics

Author(s): Mosley JD; Schock TB; Beecher CW; Dunn WB; Kuligowski J; Lewis MR; Theodoridis G; Ulmer Holland CZ; Vuckovic D; Wilson ID; Zanetti KA;...

Background: Quality assurance (QA) and quality control (QC) practices are key tenets that facilitate study and data quality across all applications of untargeted metabolomics. These important pract...

Article GUID: 38345679

Morphology Control of Self-Assembled Copper Coordination Polymers for Glucose Assays

Author(s): Van Houten J; Dosajh A; Gulati S; Bhullar G; Copeman C; Ogata AF;

Low-cost analytical assays enable accessible detection of clinically and environmentally important analytes; however, common enzyme-based assays suffer from high production and storage costs. Catalytically active synthetic materials serve as replacements fo...

Article GUID: 38320270

Janus Micromotors for Photophoretic Motion and Photon Upconversion Applications Using a Single Near-Infrared Wavelength

Author(s): Mena-Giraldo P; Kaur M; Maurizio SL; Mandl GA; Capobianco JA;

External stimuli can trigger changes in temperature, concentration, and momentum between micromotors and the medium, causing their propulsion and enabling them to perform different tasks with improved kinetic efficiencies. Light-activated micromotors are at...

Article GUID: 38197400

Advances in Drug Design and Development for Human Therapeutics Using Artificial Intelligence-II

Author(s): Wei D; Peslherbe GH; Selvaraj G; Wang Y;

Building on our 2021-2022 Special Issue, "Advances in Drug Design and Development for Human Therapeutics Using Artificial Intelligence [...].

Article GUID: 38136606

Using 13C enriched acetate in isotope labelling incubation experiments: a note of caution

Author(s): Leone F; Imfeld A; Mirzaei Y; Gélinas Y;

Vapour-phase fumigation with HCl is routinely used to remove inorganic carbon in preparation for the measurement of the concentration and d13C value of organic carbon in a sample using elemental analysis coupled to an isotope ratio mass spectrometer. Acidif...

Article GUID: 38097918

Current Practices in LC-MS Untargeted Metabolomics: A Scoping Review on the Use of Pooled Quality Control Samples

Author(s): Broeckling CD; Beger RD; Cheng LL; Cumeras R; Cuthbertson DJ; Dasari S; Davis WC; Dunn WB; Evans AM; Fernández-Ochoa A; Gika H; Goodacre R; ...

Untargeted metabolomics is an analytical approach with numerous applications serving as an effective metabolic phenotyping platform to characterize small molecules within a biological system. Data ...

Article GUID: 38055671

New Megastigmane and Polyphenolic Components of Henna Leaves and Their Tumor-Specific Cytotoxicity on Human Oral Squamous Carcinoma Cell Lines

Author(s): Orabi MAA; Orabi EA; Awadh AAA; Alshahrani MM; Abdel-Wahab BA; Sakagami H; Hatano T;

Polyphenols have a variety of phenolic hydroxyl and carbonyl functionalities that enable them to scavenge many oxidants, thereby preserving the human redox balance and preventing a number of oxidative stress-related chronic degenerative diseases. In our ong...

Article GUID: 38001804

Metabolomics 2022 workshop report: state of QA/QC best practices in LC-MS-based untargeted metabolomics, informed through mQACC community engagement initiatives

Author(s): Dunn WB; Kuligowski J; Lewis M; Mosley JD; Schock T; Ulmer Holland C; Zanetti KA; Vuckovic D;...

Introduction: The Metabolomics Quality Assurance and Quality Control Consortium (mQACC) organized a workshop during the Metabolomics 2022 conference. Objectives: The goal of the workshop was to di...

Article GUID: 37940740

Electroconductive Collagen-Carbon Nanodots Nanocomposite Elicits Neurite Outgrowth, Supports Neurogenic Differentiation and Accelerates Electrophysiological Maturation of Neural Progenitor Spheroids

Author(s): Lomboni DJ; Ozgun A; de Medeiros TV; Staines W; Naccache R; Woulfe J; Variola F;

Neuronal disorders are characterized by the loss of functional neurons and disrupted neuroanatomical connectivity, severely impacting the quality of life of patients. This study investigates a novel electroconductive nanocomposite consisting of glycine-deri...

Article GUID: 37922888

ESOMIR: a curated database of biomarker genes and miRNAs associated with esophageal cancer

Author(s): Sindhoo A; Sipy S; Khan A; Selvaraj G; Alshammari A; Casida ME; Wei DQ;

'Esophageal cancer' (EC) is a highly aggressive and deadly complex disease. It comprises two types, esophageal adenocarcinoma (EAC) and esophageal squamous cell carcinoma (ESCC), with Barrett's esophagus (BE) being the only known precursor. Rece...

Article GUID: 37815872

Advances in the design and use of carbon dots for analytical and biomedical applications

Author(s): Adeola AO; Clermont-Paquette A; Piekny A; Naccache R;

Carbon dots (CDs) have garnered significant interest for their potential use in multiple applications due to their size, fluorescent properties, high photostability, low toxicity and biocompatibility. CDs can be tailored for specific needs, as they can be s...

Article GUID: 37757783

C5-Propynyl modified 2'-fluoroarabinonucleic acids form stable duplexes with RNA that are RNase H competent

Author(s): Pontarelli A; Wilds CJ;

The clinical success of the antisense approach for the treatment of genetic disorders is indisputably the result of chemical modifications along the oligonucleotide (ON) scaffold, which impart desirable properties including high RNA affinity, nuclease stabi...

Article GUID: 37667655

Achieving photostability in dye-sensitized upconverting nanoparticles and their use in Fenton type photocatalysis

Author(s): Kaur M; Maurizio SL; Mandl GA; Capobianco JA;

Dye sensitization is a promising approach to enhance the luminescence of lanthanide-doped upconverting nanoparticles. However, the poor photostability of near-infrared dyes hampers their use in practical applications. To address this, commercial IR820 was m...

Article GUID: 37552506

Revisiting Homochiral versus Heterochiral Interactions through a Long Detective Story of a Useful Azobis-Nitrile and Puzzling Racemate

Author(s): García de la Concepción J; Flores-Jiménez M; Cuccia LA; Light ME; Viedma C; Cintas P;

This paper documents and reinvestigates the solid-state and crystal structures of 4,4'-azobis-4-cyanopentanoic acid (ACPA), a water-soluble azobis-nitrile of immense utility as a radical initiator in living polymerizations and a labile mechanophore that...

Article GUID: 37547876

Editorial: Computational systems immunovirology

Author(s): Zarei Ghobadi M; Teymoori-Rad M; Selvaraj G; Wei DQ;

No abstract available

Article GUID: 37475870

Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography

Author(s): Lander AJ; Mercado LD; Li X; Taily IM; Findlay BL; Jin Y; Luk LYP;

Tryptophan is frequently found on the surface of membrane-associated proteins that interact with the lipid membrane. However, because of their multifaceted interactions, it is difficult to pinpoint the structure-activity relationship of each tryptophan resi...

Article GUID: 37464011

Bioretention Cells Provide a 10-Fold Reduction in 6PPD-Quinone Mass Loadings to Receiving Waters: Evidence from a Field Experiment and Modeling

Author(s): Rodgers TFM; Wang Y; Humes C; Jeronimo M; Johannessen C; Spraakman S; Giang A; Scholes RC;

Road runoff to streams and rivers exposes aquatic organisms to complex mixtures of chemical contaminants. In particular, the tire-derived chemical 6PPD-quinone (N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine-quinone) is acutely toxic to several spec...

Article GUID: 37455862

The role of lanthanide luminescence in advancing technology

Author(s): Tessitore G; Mandl GA; Maurizio SL; Kaur M; Capobianco JA;

Our society is indebted to the numerous inventors and scientists who helped bring about the incredible technological advances in modern society that we all take for granted. The importance of knowing the history of these inventions is often underestimated, ...

Article GUID: 37323462

Combining Pr3+-Doped Nanoradiosensitizers and Endogenous Protoporphyrin IX for X-ray-Mediated Photodynamic Therapy of Glioblastoma Cells

Author(s): Mandl GA; Vettier F; Tessitore G; Maurizio SL; Bietar K; Stochaj U; Capobianco JA;

Glioblastoma multiforme is an aggressive type of brain cancer with high recurrence rates due to the presence of radioresistant cells remaining after tumor resection. Here, we report the development of an X-ray-mediated photodynamic therapy (X-PDT) system us...

Article GUID: 37267436

Sterically-Hindered Molecular p-Dopants Promote Integer Charge Transfer in Organic Semiconductors

Author(s): Charoughchi S; Liu JT; Berteau-Rainville M; Hase H; Askari MS; Bhagat S; Forgione P; Salzmann I;...

Molecular p-dopants designed to undergo electron transfer with organic semiconductors are typically planar molecules with high electron affinity. However, their planarity can promote the formation ...

Article GUID: 37220083

The Effect of Linker-to-Metal Energy Transfer on the Photooxidation Performance of an Isostructural Series of Pyrene-Based Rare-Earth Metal-Organic Frameworks

Author(s): Quezada-Novoa V; Titi HM; Villanueva FY; Wilson MWB; Howarth AJ;

The tetratopic linker, 1,3,6,8-tetrakis(p-benzoic acid)pyrene (H4 TBAPy) along with rare-earth (RE) ions is used for the synthesis of 9 isostructures of a metal-organic framework (MOF) with shp topology, named RE-CU-10 (RE = Y(III), Gd(III), Tb(III), Dy(III...

Article GUID: 37116124

Prospects of Novel and Repurposed Immunomodulatory Drugs against Acute Respiratory Distress Syndrome (ARDS) Associated with COVID-19 Disease

Author(s): Nayak SS; Naidu A; Sudhakaran SL; Vino S; Selvaraj G;

Acute respiratory distress syndrome (ARDS) is intricately linked with SARS-CoV-2-associated disease severity and mortality, especially in patients with co-morbidities. Lung tissue injury caused as a consequence of ARDS leads to fluid build-up in the alveola...

Article GUID: 37109050

Engineering the Surface Chemistry and Morphology of Polymeric Carbon Nitrides Towards Greener Heterogeneous Catalysts for Biodiesel Synthesis

Author(s): de Medeiros TV; Macina A; Bicalho HA; Naccache R;

Biodiesel remains one of the most promising alternatives to replace fossil fuel-derived petrodiesel. Nonetheless, conventional biodiesel synthesis relies on homogeneous alkali-based catalysts that involve long and tedious purification steps , increasing bio...

Article GUID: 37058095

Oligonucleotides Containing C5-Propynyl Modified Arabinonucleic Acids: Synthesis, Biophysical and Antisense Properties

Author(s): Pontarelli A; Wilds CJ;

The introduction of chemical modifications on the nucleic acid scaffold has allowed for the progress of antisense oligonucleotides (ASOs) in the clinic for the treatment of a variety of disorders. In contribution to the repertoire of gene-silencing nucleic ...

Article GUID: 36857293

Preparation of a Convertible Spacer Containing a Disulfide Group for Versatile Functionalization of Oligonucleotides

Author(s): Pontarelli A; Liu JT; Oh JK; Wilds CJ;

The protocols described in this article provide details regarding the synthesis and characterization of a disulfide containing linker phosphoramidite for terminal functionalization of synthetic oligonucleotides. The linker is first synthesized from 6-mercap...

Article GUID: 36840706

Impact of Pollutant Ozone on the Biophysical Properties of Tear Film Lipid Layer Model Membranes

Author(s): Keramatnejad M; DeWolf C;

Ozone exposure from environmental smog has been implicated as a risk factor for developing dry eye disease (DED). The tear film lipid layer (TFLL), which is the outermost layer of the tear film and responsible for surface tension reduction while blinking, i...

Article GUID: 36837668

Adsorptive removal of iodate oxyanions from water using a Zr-based metal-organic framework

Author(s): Copeman C; Bicalho HA; Terban MW; Troya D; Etter M; Frattini PL; Wells DM; Howarth AJ;

A Zr6-based metal-organic framework (MOF), MOF-808, is investigated for the adsorptive removal of IO3- from aqueous solutions, due to its high surface area and abundance of open metal sites. The uptake kinetics, adsorption capacity and binding mode are stud...

Article GUID: 36753325

Biomolecules incorporated in halide perovskite nanocrystals: synthesis, optical properties, and applications

Author(s): Aminzare M; Jiang J; Mandl GA; Mahshid S; Capobianco JA; Dorval Courchesne NM;

Halide perovskite nanocrystals (HPNCs) have emerged at the forefront of nanomaterials research over the past two decades. The physicochemical and optoelectronic properties of these inorganic semiconductor nanoparticles can be modulated through the introduct...

Article GUID: 36722934

A "biphasic glycosyltransferase high-throughput screen" identifies novel anthraquinone glycosides in the diversification of phenolic natural products

Author(s): Mohideen FI; Kwan DH;

The sugar moieties of many glycosylated small molecule natural products are essential for their biological activity. Glycosyltransferases (GTs) are the enzymes responsible for installing these sugar moieties on a variety of biomolecules. Several GTs that ar...

Article GUID: 36682498

New metabolic signature for Chagas disease reveals sex steroid perturbation in humans and mice

Author(s): Golizeh M; Nam J; Chatelain E; Jackson Y; Ohlund LB; Rasoolizadeh A; Camargo FV; Mahrouche L; Furtos A; Sleno L; Ndao M;...

The causative agent of Chagas disease (CD), Trypanosoma cruzi, claims thousands of lives each year. Current diagnostic tools are insufficient to ensure parasitological detection in chronically infe...

Article GUID: 36590505

Advances in Drug Design and Development for Human Therapeutics Using Artificial Intelligence-I

Author(s): Wei D; Peslherbe GH; Selvaraj G; Wang Y;

Artificial intelligence (AI) has emerged as a key player in modern healthcare, especially in the pharmaceutical industry for the development of new drugs and vaccine candidates [...].

Article GUID: 36551273

Resonant acoustic mixing (RAM) for efficient mechanoredox catalysis without grinding or impact media

Author(s): Effaty F; Gonnet L; Koenig SG; Nagapudi K; Ottenwaelder X; Frišcic T;

Resonant acoustic mixing (RAM) enables mechanoredox catalysis with BaTiO3 as the piezoelectric catalyst on model diazonium coupling reactions. RAM proceeds without formal grinding or impact media, is faster than the analogous ball-milling strategy, and is r...

Article GUID: 36546478

Opposites Attract: Electrostatically Driven Loading of Antimicrobial Peptides into Phytoglycogen Nanocarriers

Author(s): Ali DA; Domínguez Mercado L; Findlay BL; Badia A; DeWolf C;

Antimicrobial peptides, such as GL13K, have a high binding selectivity toward bacterial membranes, while not affecting healthy mammalian cells at therapeutic concentrations. However, delivery of these peptides is challenging since they are susceptible to pr...

Article GUID: 36525622

Structural determination and anticholinesterase assay of C-glycosidic ellagitannins from Lawsonia inermis leaves: A study supported by DFT calculations and molecular docking

Author(s): Orabi MAA; Orabi EA; Abdel-Sattar ES; English AM; Hatano T; Elimam H;

An ellagitannin monomer, lythracin M (1), and a dimer, lythracin D (2), along with eight known monomers (3-10) were isolated from Lawsonia inermis (Lythraceae) leaves. Lythracin M (1) is a C-glycosidic ellagitannin with a flavogallonyl dilactone moiety that...

Article GUID: 36423882

Defect-engineered surfaces to investigate the formation of self-assembled molecular networks

Author(s): Yu LH; Cai ZF; Verstraete L; Xia Y; Fang Y; Cuccia L; Ivasenko O; De Feyter S;

Herein we report the impact of covalent modification (grafting), inducing lateral nanoconfinement conditions, on the self-assembly of a quinonoid zwitterion derivative into self-assembled molecular networks at the liquid/solid interface. At low concentratio...

Article GUID: 36425498

Air monitoring of tire-derived chemicals in global megacities using passive samplers

Author(s): Johannessen C; Saini A; Zhang X; Harner T;

Pollution from vehicle tires has received world-wide research attention due to its ubiquity and toxicity. In this study, we measured various tire-derived contaminants semi-quantitatively in archived extracts of passive air samplers deployed in 18 major citi...

Article GUID: 36152723

Dual acting acid-cleavable self-assembling prodrug from hyaluronic acid and ciprofloxacin: A potential system for simultaneously targeting bacterial infections and cancer

Author(s): Ibrahim UH; Devnarain N; Mohammed M; Omolo CA; Gafar MA; Salih M; Pant A; Shunmugam L; Mocktar C; Khan R; Oh JK; Govender T;...

The incidence and of bacterial infections, and resulting mortality, among cancer patients is growing dramatically, worldwide. Several therapeutics have been reported to have dual anticancer and ant...

Article GUID: 36150574

Unravelling the synthesis of a rare-earth cluster-based metal-organic framework with spn topology

Author(s): Bicalho HA; Saraci F; Velazquez-Garcia JJ; Titi HM; Howarth AJ;

Y-CU-45, an analogue of Zr-MOF-808, is synthesized for the first time. Several reaction conditions are tested demonstrating that two fluorinated modulators are required for a reproducible synthesis yielding high quality material. Y-CU-45 shows high crystall...

Article GUID: 36065793

Structural basis of 3'-end poly(A) RNA recognition by LARP1

Author(s): Kozlov G; Mattijssen S; Jiang J; Nyandwi S; Sprules T; Iben JR; Coon SL; Gaidamakov S; Noronha AM; Wilds CJ; Maraia RJ; Gehring K;...

La-related proteins (LARPs) comprise a family of RNA-binding proteins involved in a wide range of posttranscriptional regulatory activities. LARPs share a unique tandem of two RNA-binding domains, ...

Article GUID: 35979957

Evidence of an intracellular interaction between the Escherichia coli enzymes EntC and EntB and identification of a potential electrostatic channeling surface

Author(s): Ouellette S; Pakarian P; Bin X; Pawelek PD;

Siderophores are high-affinity small-molecule chelators employed by bacteria to acquire iron from the extracellular environment. The Gram-negative bacterium Escherichia coli synthesizes and secretes enterobactin, a tris-catechol siderophore. Enterobactin is...

Article GUID: 35952947

Synthesis of a Convertible Linker Containing a Disulfide Group for Oligonucleotide Functionalization

Author(s): Pontarelli A; Liu JT; Movasat H; Ménard S; Oh JK; Wilds CJ;

The synthesis and incorporation of a tosylated phosphoramidite linker containing a disulfide bond is described. Incorporation of the linker into short DNA and RNA oligomers proceeded efficiently using automated solid phase synthesis. Treatment of the suppor...

Article GUID: 35863757

Deep ocean microbial communities produce more stable dissolved organic matter through the succession of rare prokaryotes

Author(s): LaBrie R; Péquin B; Fortin St-Gelais N; Yashayaev I; Cherrier J; Gélinas Y; Guillemette F; Podgorski DC; Spencer RGM; Tremblay L; Maranger R...

The microbial carbon pump (MCP) hypothesis suggests that successive transformation of labile dissolved organic carbon (DOC) by prokaryotes produces refractory DOC (RDOC) and contributes to the long...

Article GUID: 35857452

On the Origin of Sugar Handedness: Facts, Hypotheses and Missing Links-A Review

Author(s): Martínez RF; Cuccia LA; Viedma C; Cintas P;

By paraphrasing one of Kipling's most amazing short stories (How the Leopard Got His Spots), this article could be entitled "How Sugars Became Homochiral". Obviously, we have no answer to this still unsolved mystery, and this perspective simply brings r...

Article GUID: 35796896

Perfluorocarbon Nanodroplets for Dual Delivery with Ultrasound/GSH-Responsive Release of Model Drug and Passive Release of Nitric Oxide

Author(s): Choi M; Jazani AM; Oh JK; Noh SM;

Nitric oxide (NO) plays a critical role as an important signaling molecule for a variety of biological functions, particularly inhibiting cell proliferation or killing target pathogens. To deliver active radical NO gaseous molecule whose half-life is a few ...

Article GUID: 35683912

Diverse Applications of Biomass-Derived 5-Hydroxymethylfurfural and Derivatives as Renewable Starting Materials

Author(s): Chacón-Huete F; Messina C; Cigana B; Forgione P;

This Review summarizes recent efforts to capitalize on 5-hydroxymethylfurfural (HMF) and related furans as emerging building blocks for the synthesis of fine chemicals and materials, with a focus on advanced applications within medicinal and polymer chemist...

Article GUID: 35652539

Perfluoroalkyl and polyfluoroalkyl substances (PFASs) in groundwater: current understandings and challenges to overcome

Author(s): Zhao Z; Li J; Zhang X; Wang L; Wang J; Lin T;

Perfluoroalkyl and polyfluoroalkyl substances (PFASs) have been frequently detected in groundwater globally. With the phase-out of perfluorooctane sulfonate (PFOS) and perfluorooctanate (PFOA) due to their risk to the ecosystem and human population, various...

Article GUID: 35593984

Tuning residual chirality in carbon dots with anti-microbial properties

Author(s): Victoria F; Manioudakis J; Zaroubi L; Findlay B; Naccache R;

Chirality remains a critical consideration in drug development and design, as well as in applications of enantioselective recognition and sensing. However, the preparation of chiral nanomaterials requires extensive post synthetic modifications with a chiral...

Article GUID: 35518167

Polycyclic Aromatic Hydrocarbons in the Marine Atmosphere from the Western Pacific to the Southern Ocean: Spatial Variability, Gas/Particle Partitioning, and Source Apportionment

Author(s): Zhang X; Zhang ZF; Zhang X; Zhu FJ; Li YF; Cai M; Kallenborn R;

The spatial variability of polycyclic aromatic hydrocarbons (PAHs) in the marine atmosphere contributes to the understanding of the global sources, fate, and impact of this contaminant. Few studies conducted to measure PAHs in the oceanic atmosphere have co...

Article GUID: 35476391

Indoor exposure to selected flame retardants and quantifying importance of environmental, human behavioral and physiological parameters

Author(s): Li Z; Zhang X; Wang B; Shen G; Zhang Q; Zhu Y;

Indoor exposure to organic flame retardants (FRs) has raised extensive concern due to associated adverse health effects. Indoor-exposure induced daily intakes of six widely used FRs individually ranged 0.002-611 ng/day and 0.02-463 ng/day, respectively, for...

Article GUID: 35461943

Arabinonucleic Acids Containing C5-Propynyl Modifications Form Stable Hybrid Duplexes with RNA that are Efficiently Degraded by E. coli RNase H

Author(s): Pontarelli A; Wilds CJ;

The promise of the antisense approach to treat a variety of diseases with oligonucleotides and solutions to challenges that have been encountered in their development is attributable to chemical modification of the nucleic acid scaffold. Herein, we describe...

Article GUID: 35452799

Pesticides in the atmosphere and seawater in a transect study from the Western Pacific to the Southern Ocean: The importance of continental discharges and air-seawater exchange

Author(s): Zhang X; Zhang X; Zhang ZF; Yang PF; Li YF; Cai M; Kallenborn R;

The global oceans are known as terminal sink or secondary source for diffusive emission of organochlorine pesticides (OCPs) and selected current used pesticides (CUPs) into the overlaying atmosphere. Many pesticides have been widely produced worldwide, subs...

Article GUID: 35452973

Solvent-free synthesis of 3,5-isoxazoles via 1,3-dipolar cycloaddition of terminal alkynes and hydroxyimidoyl chlorides over Cu/Al2O3 surface under ball-milling conditions

Author(s): Hernandez R RA; Burchell-Reyes K; Braga APCA; Lopez JK; Forgione P;

Scalable, solvent-free synthesis of 3,5-isoxazoles under ball-milling conditions has been developed. The proposed methodology allows the synthesis of 3,5-isoxazoles in moderate to excellent yields from terminal alkynes and hydroxyimidoyl chlorides, using a ...

Article GUID: 35424611

Dynamic and Reprocessable Fluorinated Poly(hindered urea) Network Materials Containing Ionic Liquids to Enhance Triboelectric Performance

Author(s): Nellepalli P; Kim MP; Park J; Noh SM; Ye Z; Jung HW; Ko H; Oh JK;

Triboelectric nanogenerators (TENGs), a newly developed energy harvesting device that converts surrounding environmental mechanical stimuli into electricity, have been significantly explored as an ideal long-term power source for electrical devices. Despite...

Article GUID: 35385641

A Versatile Transcription Factor Biosensor System Responsive to Multiple Aromatic and Indole Inducers

Author(s): Nasr MA; Timmins LR; Martin VJJ; Kwan DH;

Allosteric transcription factor (aTF) biosensors are valuable tools for engineering microbes toward a multitude of applications in metabolic engineering, biotechnology, and synthetic biology. One of the challenges toward constructing functional and diverse ...

Article GUID: 35316041

Generation of oligonucleotide conjugates via one-pot diselenide-selenoester ligation-deselenization/alkylation

Author(s): Liczner C; Hanna CC; Payne RJ; Wilds CJ;

A breadth of strategies are needed to efficiently modify oligonucleotides with peptides or lipids to capitalize on their therapeutic and diagnostic potential, including the modulation of in vivo chemical stability and for applications in cell-targeting and ...

Article GUID: 35126973

Electrospun Upconverting Nanofibrous Hybrids with Smart NIR-Light-Controlled Drug Release for Wound Dressing

Author(s): Huang HY; Skripka A; Zaroubi L; Findlay BL; Vetrone F; Skinner C; Oh JK; Cuccia LA;

Chronic wounds present a high risk of infection due to delayed and incomplete healing, leading to increased health risks and financial burden to health-care systems. Numerous approaches to promote wound healing have been extensively explored, especially the...

Article GUID: 35019380

Uncovering global-scale risks from commercial chemicals in air

Author(s): Liu Q; Li L; Zhang X; Saini A; Li W; Hung H; Hao C; Li K; Lee P; Wentzell JJB; Huo C; Li SM; Harner T; Liggio J;...

Commercial chemicals are used extensively across urban centres worldwide1, posing a potential exposure risk to 4.2 billion people2. Harmful chemicals are often assessed on the basis of their enviro...

Article GUID: 34912090

Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry

Author(s): Lennox CB; Do JL; Crew JG; Arhangelskis M; Titi HM; Howarth AJ; Farha OK; Frišcic T;

Mechanochemistry enables rapid access to boron imidazolate frameworks (BIFs), including ultralight materials based on Li and Cu(i) nodes, as well as new, previously unexplored systems based on Ag(i) nodes. Compared to solution methods, mechanochemistry is f...

Article GUID: 34881001

Pre- and post-industrial levels of polycyclic aromatic hydrocarbons in sediments from the Estuary and Gulf of St. Lawrence (eastern Canada)

Author(s): Corminboeuf A; Montero-Serrano JC; St-Louis R; Dalpé A; Gélinas Y;

The concentrations of 23 polycyclic aromatic hydrocarbons (PAHs; 16 parent PAHs and 7 alkyl-PAHs) were determined in 45 surface sediment and 7 basal sediment box core samples retrieved from the Estuary and Gulf of St. Lawrence in eastern Canada. The concent...

Article GUID: 34871900

Lifetime of the 3H4 Electronic State in Tm3+-Doped Upconverting Nanoparticles for NIR Nanothermometry

Author(s): Raab ME; Maurizio SL; Capobianco JA; Prasad PN;

Emission bands from thermally coupled states in lanthanide-doped nanoparticles have been studied for ratiometric nanothermometry in biological applications. Unfortunately certain factors such as water absorption distort the intensity, limiting the accuracy ...

Article GUID: 34813703

In Vitro Reconstitution of the dTDP-l-Daunosamine Biosynthetic Pathway Provides Insights into Anthracycline Glycosylation

Author(s): Mohideen FI; Nguyen LH; Richard JD; Ouadhi S; Kwan DH;

Many small molecule natural products are decorated with sugar moieties that are essential for their biological activity. A considerable number of natural product glycosides and their derivatives are clinically important therapeutics. Anthracyclines like dau...

Article GUID: 34751552

Response to Comment on "Screening New Persistent and Bioaccumulative Organics in China's Inventory of Industrial Chemicals": A Call for Further Environmental Research on Organosilicons Produced in China

Author(s): Zhang X; Sun X; Jiang R; Zeng EY; Sunderland EM; Muir DCG;

No abstract

Article GUID: 34694120

Are Plant-Based Carbohydrate Nanoparticles Safe for Inhalation? Investigating Their Interactions with the Pulmonary Surfactant Using Langmuir Monolayers

Author(s): Gravel-Tatta L; DeWolf C; Badia A;

Nanoparticle carriers show promise for drug delivery, including by inhalation, where the first barrier for uptake in the lungs is the monolayer pulmonary surfactant membrane that coats the air/alveoli interface and is critical to breathing. It is imperative...

Article GUID: 34644076

Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes

Author(s): Singh H; MacKay A; Sheibany N; Chen F; Mosser M; Rouet PÉ; Rousseau F; Askari MS; Ottenwaelder X;...

Primary hydroxylamines, RNHOH, decompose readily in the presence of transition metal ions. We show that this reactivity can be arrested by ligand design via an intramolecular hydrogen bond. Six met...

Article GUID: 34545379

Programmed Synthesis of Tetra-Aryl Thiophenes with Stepwise, Ester-Controlled Regioselectivity

Author(s): Messina C; Ottenwaelder X; Forgione P;

Herein, we report a modular synthetic route to access tetra-arylated thiophene compounds with four different substituents with programmed chemical control provided by an ester activating/directing group. This method enables the functionalization of individu...

Article GUID: 34506149

Dynamic Covalent Polyurethane Network Materials: Synthesis and Self-healability

Author(s): Nellepalli P; Patel T; Oh JK;

Polyurethane (PU) has not only been widely used in our daily lives, but also extensively explored as an important class of the essential polymers for various applications. In recent years significant efforts have been made on the development of self-healabl...

Article GUID: 34418209

Modeling of Flame Retardants in Typical Urban Indoor Environments in China during 2010-2030: Influence of Policy and Decoration and Implications for Human Exposure

Author(s): Li Z; Zhu Y; Wang D; Zhang X; Jones KC; Ma J; Wang P; Yang R; Li Y; Pei Z; Zhang Q; Jiang G;...

Novel flame retardants (FRs) are of increasing concern, given growing evidence of health effects and use to replace polybrominated diphenyl ethers (PBDEs). This study modeled combined effects of us...

Article GUID: 34410710

Towards a better understanding of deep convolutional neural network processes for recognizing organic chemicals of environmental concern

Author(s): Sun X; Zhang X; Wang L; Li Y; Muir DCG; Zeng EY;

Deep convolutional neural network (DCNN) has proved to be a promising tool for identifying organic chemicals of environmental concern. However, the uncertainty associated with DCNN predictions remains to be quantified. The training process contains many ran...

Article GUID: 34388923

Interactions between the Cell Membrane Repair Protein S100A10 and Phospholipid Monolayers and Bilayers

Author(s): Yan X; Kumar K; Miclette Lamarche R; Youssef H; Shaw GS; Marcotte I; DeWolf CE; Warschawski DE; Boisselier E;...

Protein S100A10 participates in different cellular mechanisms and has different functions, especially at the membrane. Among those, it forms a ternary complex with annexin A2 and the C-terminal of ...

Article GUID: 34339205

Remodelling a shp: Transmetalation in a Rare-Earth Cluster-Based Metal-Organic Framework

Author(s): Bicalho HA; Donnarumma PR; Quezada-Novoa V; Titi HM; Howarth AJ;

Postsynthetic modification of metal-organic frameworks (MOFs) is an important strategy for accessing MOF analogues that cannot be easily synthesized de novo. In this work, the rare-earth (RE) cluster-based MOF Y-CU-10 with shp topology was modified through ...

Article GUID: 34314164

Designing Ultrasmall Carbon Nanospheres with Tailored Sizes and Textural Properties for High-Rate High-Energy Supercapacitors

Author(s): Liu X; Vadiyar MM; Oh JK; Ye Z;

The present work demonstrates the efficient design of ultrasmall porous carbon nanospheres with tailored sizes (5-40 nm in diameter) and optimized intrasphere textural properties for high-rate high-energy supercapacitor application. The carbon nanospheres a...

Article GUID: 34229427

Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19

Author(s): Kaliamurthi S; Selvaraj G; Selvaraj C; Singh SK; Wei DQ; Peslherbe GH;

Coronavirus disease (COVID)-19 is the leading global health threat to date caused by a severe acute respiratory syndrome coronavirus (SARS-CoV-2). Recent clinical trials reported that the use of Bruton's tyrosine kinase (BTK) inhibitors to treat COVID-1...

Article GUID: 34209188

Self-tunable engineered yeast probiotics for the treatment of inflammatory bowel disease

Author(s): Scott BM; Gutiérrez-Vázquez C; Sanmarco LM; da Silva Pereira JA; Li Z; Plasencia A; Hewson P; Cox LM; O' Brien M; Chen SK; Moraes-Vieira...

Inflammatory bowel disease (IBD) is a complex chronic inflammatory disorder of the gastrointestinal tract. Extracellular adenosine triphosphate (eATP) produced by the commensal microbiota and host ...

Article GUID: 34183837

Following spatial Aβ aggregation dynamics in evolving Alzheimer's disease pathology by imaging stable isotope labeling kinetics

Author(s): Michno W; Stringer KM; Enzlein T; Passarelli MK; Escrig S; Vitanova K; Wood J; Blennow K; Zetterberg H; Meibom A; Hopf C; Edwards FA; Hanrie...

ß-Amyloid (Aß) plaque formation is the major pathological hallmark of Alzheimer's disease (AD) and constitutes a potentially critical, early inducer driving AD pathogenesis as it precedes other...

Article GUID: 34134980

Simple, scalable mechanosynthesis of metal-organic frameworks using liquid-assisted resonant acoustic mixing (LA-RAM)

Author(s): Titi HM; Do JL; Howarth AJ; Nagapudi K; Frišcic T;

We present a rapid and readily scalable methodology for the mechanosynthesis of diverse metal-organic frameworks (MOFs) in the absence of milling media typically required for other types of mechanochemical syntheses. We demonstrate the use of liquid-assiste...

Article GUID: 34094134

Imidazole-Mediated Dual Location Disassembly of Acid-Degradable Intracellular Drug Delivery Block Copolymer Nanoassemblies

Author(s): Jazani AM; Shetty C; Movasat H; Bawa KK; Oh JK;

Acid-degradable (or acid-cleavable) polymeric nanoassemblies have witnessed significant progress in anti-cancer drug delivery. However, conventional nanoassemblies designed with acid-cleavable linkages at a single location have several challenges, such as, ...

Article GUID: 34050688

Synthetic approaches for accessing rare-earth analogues of UiO-66

Author(s): Donnarumma PR; Frojmovic S; Marino P; Bicalho HA; Titi HM; Howarth AJ;

Rare-earth (RE) analogues of UiO-66 with non-functionalised 1,4-benzenedicarboxylate linkers are synthesised for the first time, and a series of synthetic approaches is provided to troubleshoot the synthesis. RE-UiO-66 analogues are fully characterised, and...

Article GUID: 34027524

Are the Allergic Reactions of COVID-19 Vaccines Caused by mRNA Constructs or Nanocarriers? Immunological Insights

Author(s): Selvaraj G; Kaliamurthi S; Peslherbe GH; Wei DQ;

The Food and Drug Administration (FDA) has recently authorized the two messenger RNA (mRNA) vaccines BNT162b2 and mRNA-1273 for emergency use against the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causing the COVID-19 coronavirus disease. ...

Article GUID: 34021862

Beyond ribose and phosphate: Selected nucleic acid modifications for structure-function investigations and therapeutic applications

Author(s): Liczner C; Duke K; Juneau G; Egli M; Wilds CJ;

Over the past 25 years, the acceleration of achievements in the development of oligonucleotide-based therapeutics has resulted in numerous new drugs making it to the market for the treatment of various diseases. Oligonucleotides with alterations to their sc...

Article GUID: 33981365

Macromolecularly Engineered Thermoreversible Heterogeneous Self-Healable Networks Encapsulating Reactive Multidentate Block Copolymer-Stabilized Carbon Nanotubes

Author(s): Zhang G; Patel T; Nellepalli P; Bhagat S; Hase H; Jazani AM; Salzmann I; Ye Z; Oh JK;

The development of heterogeneous covalent adaptable networks (CANs) embedded with carbon nanotubes (CNTs) that undergo reversible dissociation/recombination through thermoreversibility has been significantly explored. However, the carbon nanotube (CNT)-inco...

Article GUID: 33988899

AHNAK C-Terminal Peptide Membrane Binding-Interactions between the Residues 5654-5673 of AHNAK and Phospholipid Monolayers and Bilayers.

Author(s): Yan X, Noël F, Marcotte I, DeWolf CE, Warschawski DE, Boisselier E

The dysferlin membrane repair complex contains a small complex, S100A10-annexin A2, which initiates membrane repair by recruiting the protein AHNAK to the membrane, where it interacts via binding sites in the C-terminal region. However, no molecular data ar...

Article GUID: 31825630

Recent Advances of DNA Tetrahedra for Therapeutic Delivery and Biosensing.

Author(s): Copp W, Pontarelli A, Wilds CJ

The chemical and self-assembly properties of nucleic acids make them ideal for the construction of discrete structures and stimuli-responsive devices for a diverse array of applications. Amongst the various three-dimensional assemblies, DNA tetrahedra are o...

Article GUID: 33506614

Microfluidic Shear Processing Control of Biological Reduction Stimuli-Responsive Polymer Nanoparticles for Drug Delivery.

Author(s): Huang Y, Jazani AM, Howell EP, Reynolds LA, Oh JK, Moffitt MG

We demonstrate microfluidic manufacturing of glutathione (GSH)-responsive polymer nanoparticles (PNPs) with controlled in vitro pharmacological properties for selective drug delivery. This work leverages previous fundamental work on microfluidic control of ...

Article GUID: 33455300

Resources and Methods for Engineering "Designer" Glycan-Binding Proteins.

Author(s): Warkentin R, Kwan DH

This review provides information on available methods for engineering glycan-binding proteins (GBP). Glycans are involved in a variety of physiological functions and are found in all domains of life and viruses. Due to their wide range of functions, GBPs ha...

Article GUID: 33450899

Assessment of solid phase microextraction as a sample preparation tool for untargeted analysis of brain tissue using liquid chromatography-mass spectrometry

Author(s): Reyes-Garcés N; Boyaci E; Gómez-Ríos GA; Olkowicz M; Monnin C; Bojko B; Vuckovic D; Pawliszyn J;...

This work presents an evaluation of solid-phase microextraction (SPME) SPME in combination with liquid chromatography-high resolution mass spectrometry (LC-HRMS) as an analytical approach for untar...

Article GUID: 33433374

Phase Diagram for a Lysyl-Phosphatidylglycerol Analogue in Biomimetic Mixed Monolayers with Phosphatidylglycerol: Insights into the Tunable Properties of Bacterial Membranes.

Author(s): Wölk C, Youssef H, Guttenberg T, Marbach H, Vizcay-Barrena G, Shen C, Brezesinski G, Harvey RD...

Ion pairing between the major phospholipids of the Staphylococcus aureus plasma membrane (phosphatidylglycerol - PG and lysyl-phosphatidylglycerol - LPG) confers resistance to antimicrobial peptide...

Article GUID: 32065707

Modeling Shows that Rotation about the Peroxide O-O Bond Assists Protein and Lipid Functional Groups in Discriminating between H2O2 and H2O

Author(s): Orabi EA; English AM;

Long associated with cell death, hydrogen peroxide (H2O2) is now known to perform many physiological roles. Unraveling its biological mechanisms of action requires atomic-level knowledge of its association with proteins and lipids, which we address here. Hi...

Article GUID: 33356279

Synthesis of 2,5-Diaryl Nonsymmetric Furans C6-Platform Chemicals via Catalytic Conversion of Biomass and the Formal Synthesis of Dantrolene.

Author(s): Chacón-Huete F, Lasso JD, Szavay P, Covone J, Forgione P

Biomass-derived commodity chemical 5-hydroxymethyl furfural is an underutilized C6-platform chemical derived from cellulose that is ideal to prepare next-generation value-added products. We have developed an efficient synthetic strategy to access 2,5-diaryl...

Article GUID: 33253575

Five Nitrogen Oxidation States from Nitro to Amine: Stabilization and Reactivity of a Metastable Arylhydroxylamine Complex.

Author(s): Zsombor-Pindera J; Effaty F; Escomel L; Patrick B; Kennepohl P; Ottenwaelder X;

Redox noninnocent ligands enhance the reactivity of the metal they complex, a strategy used by metalloenzymes and in catalysis. Herein, we report a series of copper complexes with the same ligand framework, but with a pendant nitrogen group that spans five ...

Article GUID: 33124796

Sublethal Paraquat Confers Multidrug Tolerance in Pseudomonas aeruginosa by Inducing Superoxide Dismutase Activity and Lowering Envelope Permeability.

Author(s): Martins D, McKay GA, English AM, Nguyen D

Stressors and environmental cues shape the physiological state of bacteria, and thus how they subsequently respond to antibiotic toxicity. To understand how superoxide stress can modulate survival to bactericidal antibiotics, we examined the effect of intra...

Article GUID: 33101252

Circulating miR-1246 Targeting UBE2C, TNNI3, TRAIP, UCHL1 Genes and Key Pathways as a Potential Biomarker for Lung Adenocarcinoma: Integrated Biological Network Analysis

Author(s): Huang S; Wei YK; Kaliamurthi S; Cao Y; Nangraj AS; Sui X; Chu D; Wang H; Wei DQ; Peslherbe GH; Selvaraj G; Shi J;...

Analysis of circulating miRNAs (cmiRNAs) before surgical operation (BSO) and after the surgical operation (ASO) has been informative for lung adenocarcinoma (LUAD) diagnosis, progression, and outco...

Article GUID: 33050659

A threshold LC-MS/MS method for 92 analytes in oral fluid collected with the Quantisal® device

Author(s): Desharnais B; Lajoie MJ; Laquerre J; Mireault P; Skinner CD;

A study of impaired driving rates in the province of Québec is currently planned following the legalization of recreational cannabis in Canada. Oral fluid (OF) samples are to be collected with a Quantisal® device and sent to the laboratory for analysis. In ...

Article GUID: 33035929

Impact of fluorination on interface energetics and growth of pentacene on Ag(111).

Author(s): Wang Q, Chen MT, Franco-Cañellas A, Shen B, Geiger T, F Bettinger H, Schreiber F, Salzmann I, Gerlach A, Duhm S...

We studied the structural and electronic properties of 2,3,9,10-tetrafluoropentacene (F4PEN) on Ag(111) via X-ray standing waves (XSW), low-energy electron diffraction (LEED) as well as ultraviolet...

Article GUID: 32974114

Controlled Microfluidic Synthesis of Biological Stimuli-Responsive Polymer Nanoparticles.

Author(s): Huang Y, Moini Jazani A, Howell EP, Oh JK, Moffitt MG

Microfluidic flow-directed self-assembly of biological stimuli-responsive block copolymers is demonstrated with dual-location cleavable linkages at the junction between hydrophilic and hydrophobic blocks and on pendant group within the hydrophobic blocks. O...

Article GUID: 31820915

Direct Polymerization Approach to Synthesize Acid-Degradable Block Copolymers Bearing Imine Pendants for Tunable pH-Sensitivity and Enhanced Release.

Author(s): Hu X, Oh JK

The development of effective approaches to synthesize smart amphiphilic block copolymers (ABPs) exhibiting acid-responsive degradation through the cleavage of acid-labile imine bonds is extensively explored for controlled release of encapsulated biomolecule...

Article GUID: 32964550

Efficient activation of peroxymonosulfate by composites containing iron mining waste and graphitic carbon nitride for the degradation of acetaminophen.

Author(s): Bicalho HA, Rios RDF, Binatti I, Ardisson JD, Howarth AJ, Lago RM, Teixeira APC

In this work, the potential to use an iron mining waste (IW), rich in a-Fe2O3 and a-FeOOH, for the development of composites based on graphitic carbon nitride (CN) is demonstrated. These materials were synthesized through a simple thermal treatment at 550?°...

Article GUID: 32947712

Self-Healable Reprocessable Triboelectric Nanogenerators Fabricated with Vitrimeric Poly(hindered Urea) Networks.

Author(s): Patel T, Kim MP, Park J, Lee TH, Nellepalli P, Noh SM, Jung HW, Ko H, Oh JK

In recent years, the advent of highly deformable and healable electronics is exciting and promising for next-generation electronic devices. In particular, self-healable triboelectric nanogenerators (SH-TENGs) serve as promising candidates based on the combi...

Article GUID: 32840992

Synthesis, crystal structure and Hirshfeld surface of bis-(2-amino-pyridinium) hexa-chlorido-stannate(IV).

Author(s): Ghallab R, Boutebdja M, Dénès G, Merazig H

In the title mol-ecular salt, (C5H7N2)2[SnCl6], the cation is protonated at the pyridine N atom and the complete dianion is generated by a crystallographic centre of symmetry. In the crystal, N-H?Cl hydrogen bonds link the components into a three-dimensiona...

Article GUID: 32844014

Rare-earth metal-organic frameworks: from structure to applications.

Author(s): Saraci F, Quezada-Novoa V, Donnarumma PR, Howarth AJ

Chem Soc Rev. 2020 Jul 13;: Authors: Saraci F, Quezada-Novoa V, Donnarumma PR, Howarth AJ

Article GUID: 32658241

O6-Alkylguanine DNA Alkyltransferase Mediated Disassembly of a DNA Tetrahedron.

Author(s): Copp W, Wilds CJ

Chemistry. 2020 Jun 16;: Authors: Copp W, Wilds CJ

Article GUID: 32543755

Qualitative threshold method validation and uncertainty evaluation: A theoretical framework and application to a 40 analytes liquid chromatography-tandem mass spectrometry method

Author(s): Camirand Lemyre F; Desharnais B; Laquerre J; Morel MA; Côté C; Mireault P; Skinner CD;

Qualitative methods hold an important place in drug testing, filling central needs in screening and analyses, among others, linked to per se legislation. Nevertheless, the bioanalytical method validation guidelines do not discuss this type of method or desc...

Article GUID: 32476284

Enzymatic Synthesis of a Fluorogenic Reporter Substrate and the Development of a High-Throughput Assay for Fucosyltransferase VIII Provide a Toolkit to Probe and Inhibit Core Fucosylation.

Author(s): Soroko M, Kwan DH

Biochemistry. 2020 Jun 01;: Authors: Soroko M, Kwan DH

Article GUID: 32441090

Terahertz three-dimensional monitoring of nanoparticle-assisted laser tissue soldering.

Author(s): Dong J, Breitenborn H, Piccoli R, Besteiro LV, You P, Caraffini D, Wang ZM, Govorov AO, Naccache R, Vetrone F, Razzari L, Morandotti R

Biomed Opt Express. 2020 Apr 01;11(4):2254-2267 Authors: Dong J, Breitenborn H, Piccoli R, Besteiro LV, You P, Caraffini D, Wang ZM, Govorov AO, Naccache R, Vetrone F, Razzari L, Morandotti R

Article GUID: 32341881

Hydrated electrons induce the formation of interstrand cross-links in DNA modified by cisplatin adducts

Author(s): Behmand B; Noronha AM; Wilds CJ; Marignier JL; Mostafavi M; Wagner JR; Hunting DJ; Sanche L;...

Double-stranded oligonucleotides containing cisplatin adducts, with and without a mismatched region, were exposed to hydrated electrons generated by gamma-rays. Gel electrophoresis analysis demonst...

Article GUID: 32211848

Dual Reduction/Acid-Responsive Disassembly and Thermoresponsive Tunability of Degradable Double Hydrophilic Block Copolymer.

Author(s): Maruya-Li K, Shetty C, Moini Jazani A, Arezi N, Oh JK

ACS Omega. 2020 Feb 25;5(7):3734-3742 Authors: Maruya-Li K, Shetty C, Moini Jazani A, Arezi N, Oh JK

Article GUID: 32118189

Tuning Inner-Sphere Electron Transfer in a Series of Copper/Nitrosoarene Adducts.

Author(s): Askari MS, Effaty F, Gennarini F, Orio M, Le Poul N, Ottenwaelder X

Inorg Chem. 2020 Feb 19;: Authors: Askari MS, Effaty F, Gennarini F, Orio M, Le Poul N, Ottenwaelder X

Article GUID: 32073833

Dexamethasone-Induced Perturbations in Tissue Metabolomics Revealed by Chemical Isotope Labeling LC-MS analysis

Author(s): Dahabiyeh LA; Malkawi AK; Wang X; Colak D; Mujamammi AH; Sabi EM; Li L; Dasouki M; Abdel Rahman AM;...

Dexamethasone (Dex) is a synthetic glucocorticoid (GC) drug commonly used clinically for the treatment of several inflammatory and immune-mediated diseases. Despite its broad range of indications, ...

Article GUID: 31973046

Approaching the Integer-Charge Transfer Regime in Molecularly Doped Oligothiophenes by Efficient Decarboxylative Cross-Coupling

Author(s): Liu JT; Hase H; Taylor S; Salzmann I; Forgione P;

A library of symmetrical linear oligothiophene was prepared employing decarboxylative cross-coupling reaction as the key transformation. Thiophene potassium carboxylate salts were used as cross-coupling partners without the need of co-catalyst, base, or add...

Article GUID: 31961982

In Vivo Solid-Phase Microextraction for Sampling of Oxylipins in Brain of Awake, Moving Rats

Author(s): Napylov A; Reyes-Garces N; Gomez-Rios G; Olkowicz M; Lendor S; Monnin C; Bojko B; Hamani C; Pawliszyn J; Vuckovic D;...

Oxylipins are key lipid mediators of important brain processes, including pain, sleep, oxidative stress, and inflammation. For the first time, an in-depth profile of up to 52 oxylipins can be obtai...

Article GUID: 31697450

Structural Order in Cellulose Thin Films Prepared from a Trimethylsilyl Precursor.

Author(s): Jones AOF, Resel R, Schrode B, Machado-Charry E, Röthel C, Kunert B, Salzmann I, Kontturi E, Reishofer D, Spirk S

Biomacromolecules. 2019 Dec 12;: Authors: Jones AOF, Resel R, Schrode B, Machado-Charry E, Röthel C, Kunert B, Salzmann I, Kontturi E, Reishofer D, Spirk S

Article GUID: 31774663

Angiotensin-I-Converting Enzyme Inhibitory Activity of Coumarins from Angelica decursiva.

Author(s): Ali MY, Seong SH, Jung HA, Choi JS

Molecules. 2019 Oct 31;24(21): Authors: Ali MY, Seong SH, Jung HA, Choi JS

Article GUID: 31683604

Umbelliferone derivatives exert neuroprotective effects by inhibiting monoamine oxidase A, self-amyloidβ aggregation, and lipid peroxidation.

Author(s): Seong SH, Ali MY, Jung HA, Choi JS

Bioorg Chem. 2019 Sep 18;92:103293 Authors: Seong SH, Ali MY, Jung HA, Choi JS

Article GUID: 31557622

Facile Aqueous-Phase Synthesis of an Ultrasmall Bismuth Nanocatalyst for the Reduction of 4-Nitrophenol.

Author(s): Liang Y, Manioudakis J, Macairan JR, Askari MS, Forgione P, Naccache R

ACS Omega. 2019 Sep 17;4(12):14955-14961 Authors: Liang Y, Manioudakis J, Macairan JR, Askari MS, Forgione P, Naccache R

Article GUID: 31552336

Worldwide contamination of food-crops with mycotoxins: Validity of the widely cited 'FAO estimate' of 25.

Author(s): Eskola M, Kos G, Elliott CT, Hajšlová J, Mayar S, Krska R

Crit Rev Food Sci Nutr. 2019 Sep 03;:1-17 Authors: Eskola M, Kos G, Elliott CT, Hajšlová J, Mayar S, Krska R

Article GUID: 31478403

Facile Strategies to Synthesize Dual Location Dual Acidic pH/Reduction-Responsive Degradable Block Copolymers Bearing Acetal/Disulfide Block Junctions and Disulfide Pendants.

Author(s): Jazani AM, Arezi N, Maruya-Li K, Jung S, Oh JK

ACS Omega. 2018 Aug 31;3(8):8980-8991 Authors: Jazani AM, Arezi N, Maruya-Li K, Jung S, Oh JK

Article GUID: 31459031

Comparison of underivatized silica and zwitterionic sulfobetaine hydrophilic interaction liquid chromatography stationary phases for global metabolomics of human plasma

Author(s): Sonnenberg RA; Naz S; Cougnaud L; Vuckovic D;

To increase metabolome coverage in global LC-MS metabolomics, often both reversed-phase liquid chromatography (RPLC) and hydrophilic-interaction liquid chromatography (HILIC) are implemented in parallel. However, there is a lack of consensus in the literatu...

Article GUID: 31439439

Author Correction: Building a global alliance of biofoundries.

Author(s): Hillson N, Caddick M, Cai Y, Carrasco JA, Chang MW, Curach NC, Bell DJ, Feuvre RL, Friedman DC, Fu X, Gold ND, Herrgård MJ, Holowko MB, John...

Nat Commun. 2019 Jul 11;10(1):3132 Authors: Hillson N, Caddick M, Cai Y, Carrasco JA, Chang MW, Curach NC, Bell DJ, Feuvre RL, Friedman DC, Fu X, Gold ND, Herrgård MJ, Holowko MB, Johnson JR,...

Article GUID: 31296848

Computational insight into hydrogen persulfide and a new additive model for chemical and biological simulations

Author(s): Orabi EA; Peslherbe GH;

S-Sulfhydration of cysteine to the Cys-SSH persulfide is an oxidative post-translational modification that plays an important regulatory role in many physiological systems. Though hydrogen persulfide (H2S2) has recently been established as a signaling and c...

Article GUID: 31297500

Proteomic Analysis of Morphologically Changed Tissues after Prolonged Dexamethasone Treatment

Author(s): Malkawi AK; Masood A; Shinwari Z; Jacob M; Benabdelkamel H; Matic G; Almuhanna F; Dasouki M; Alaiya AA; Rahman AMA;...

Prolonged dexamethasone (Dex) administration leads to serious adverse and decrease brain and heart size, muscular atrophy, hemorrhagic liver, and presence of kidney cysts. Herein, we used an untarg...

Article GUID: 31247941

Ctt1 catalase activity potentiates antifungal azoles in the emerging opportunistic pathogen Saccharomyces cerevisiae.

Author(s): Martins D, Nguyen D, English AM

Sci Rep. 2019 Jun 24;9(1):9185 Authors: Martins D, Nguyen D, English AM

Article GUID: 31235707

Derivatization of yeast cytochrome c peroxidase with pentaammineruthenium(III).

Author(s): Fox T, English AM, Gibbs BF

Derivatization of yeast cytochrome c peroxidase with pentaammineruthenium(III).
Bioconjug Chem. 1994 Jan-Feb;5(1):14-20
Authors: Fox T, English AM, Gibbs BF
Abstract
Cytochrome c peroxidase (CCP) was derivatized using aquopentaamminerutheniu...

Article GUID: 8199229

Identification of active site residues of chorismate mutase-prephenate dehydrogenase from Escherichia coli.

Author(s): Christendat D, Turnbull J

Identification of active site residues of chorismate mutase-prephenate dehydrogenase from Escherichia coli.

Biochemistry. 1996 Apr 09;35(14):4468-79

Authors: Christendat D, Turnbull J

Abstract
Chemical modification studies...

Article GUID: 8605196

Characterization of active and inactive forms of the phenol hydroxylase stimulatory protein DmpM.

Author(s): Cadieux E, Powlowski J

Biochemistry. 1999 Aug 17;38(33):10714-22 Authors: Cadieux E, Powlowski J

Article GUID: 10451366

The binding of Na(+) to apo-enolase permits the binding of substrate.

Author(s): Lin T, Kornblatt MJ

Biochim Biophys Acta. 2000 Feb 09;1476(2):279-86 Authors: Lin T, Kornblatt MJ

Article GUID: 10669792

Mass spectral analysis of protein-based radicals using DBNBS. Nonradical adduct formation versus spin trapping.

Author(s): Filosa A, English AM

J Biol Chem. 2001 Jun 15;276(24):21022-7 Authors: Filosa A, English AM

Article GUID: 11262405

Heme nitrosylation of deoxyhemoglobin by s-nitrosoglutathione requires copper.

Author(s): Romeo AA, Capobianco JA, English AM

J Biol Chem. 2002 Jul 05;277(27):24135-41 Authors: Romeo AA, Capobianco JA, English AM

Article GUID: 11970954

S-nitrosation of Ca(2+)-loaded and Ca(2+)-free recombinant calbindin D(28K) from human brain.

Author(s): Tao L, Murphy ME, English AM

Biochemistry. 2002 May 14;41(19):6185-92 Authors: Tao L, Murphy ME, English AM

Article GUID: 11994015

Cloning, expression and mutagenesis of a subunit contact of rabbit muscle-specific (betabeta) enolase.

Author(s): Kornblatt MJ, Zheng SX, Lamandé N, Lazar M

Biochim Biophys Acta. 2002 Jun 03;1597(2):311-9 Authors: Kornblatt MJ, Zheng SX, Lamandé N, Lazar M

Article GUID: 12044909

Different pathways of radical translocation in yeast cytochrome c peroxidase and its W191F mutant on reaction with H(2)O(2) suggest an antioxidant role.

Author(s): Tsaprailis G, English AM

J Biol Inorg Chem. 2003 Feb;8(3):248-55 Authors: Tsaprailis G, English AM

Article GUID: 12589560

Mechanism of S-nitrosation of recombinant human brain calbindin D28K.

Author(s): Tao L, English AM

Biochemistry. 2003 Mar 25;42(11):3326-34 Authors: Tao L, English AM

Article GUID: 12641465

Quantitative analysis of the yeast proteome by incorporation of isotopically labeled leucine.

Author(s): Jiang H, English AM

J Proteome Res. 2002 Jul-Aug;1(4):345-50 Authors: Jiang H, English AM

Article GUID: 12645890

Scavenging with TEMPO* to identify peptide- and protein-based radicals by mass spectrometry: advantages of spin scavenging over spin trapping.

Author(s): Wright PJ, English AM

J Am Chem Soc. 2003 Jul 16;125(28):8655-65 Authors: Wright PJ, English AM

Article GUID: 12848573

ESI-MS and FTIR studies of the interaction between the second PDZ domain of hPTP1E and target peptides.

Author(s): Papp R, Ekiel I, English AM

Biochem Cell Biol. 2003 Apr;81(2):71-80 Authors: Papp R, Ekiel I, English AM

Article GUID: 12870871

Site-specific fluorescent derivatization and liquid chromatographic-mass spectrometric characterization of long R(3) IGF-I for bioanalytical applications.

Author(s): Harvey MD, Banks PR

J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Aug 05;793(1):115-25 Authors: Harvey MD, Banks PR

Article GUID: 12880859

Superoxide dismutase targets NO from GSNO to Cysbeta93 of oxyhemoglobin in concentrated but not dilute solutions of the protein.

Author(s): Romeo AA, Capobianco JA, English AM

J Am Chem Soc. 2003 Nov 26;125(47):14370-8 Authors: Romeo AA, Capobianco JA, English AM

Article GUID: 14624585

Protein S-glutathiolation triggered by decomposed S-nitrosoglutathione.

Author(s): Tao L, English AM

Biochemistry. 2004 Apr 06;43(13):4028-38 Authors: Tao L, English AM

Article GUID: 15049710

Capillary electrochromatography of peptides and proteins.

Author(s): Bandilla D, Skinner CD

J Chromatogr A. 2004 Jul 30;1044(1-2):113-29 Authors: Bandilla D, Skinner CD

Article GUID: 15354432

Mass spectrometric analysis of nitroxyl-mediated protein modification: comparison of products formed with free and protein-based cysteines.

Author(s): Shen B, English AM

Biochemistry. 2005 Oct 25;44(42):14030-44 Authors: Shen B, English AM

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Hemoglobin S-nitrosation on oxygenation of nitrite/deoxyhemoglobin incubations is attenuated by methemoglobin.

Author(s): Laterreur J, English AM

J Inorg Biochem. 2007 Nov;101(11-12):1827-35 Authors: Laterreur J, English AM

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Elemental, isotopic, and spectroscopic assessment of chemical fractionation of dissolved organic matter sampled with a portable reverse osmosis system.

Author(s): Ouellet A, Catana D, Plouhinec JB, Lucotte M, Gélinas Y

Environ Sci Technol. 2008 Apr 01;42(7):2490-5 Authors: Ouellet A, Catana D, Plouhinec JB, Lucotte M, Gélinas Y

Article GUID: 18504986

A shared binding site for NAD+ and coenzyme A in an acetaldehyde dehydrogenase involved in bacterial degradation of aromatic compounds.

Author(s): Lei Y, Pawelek PD, Powlowski J

Biochemistry. 2008 Jul 01;47(26):6870-82 Authors: Lei Y, Pawelek PD, Powlowski J

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Design and optimization of porous polymer enzymatic digestors for proteomics.

Author(s): Lin W, Skinner CD

J Sep Sci. 2009 Aug;32(15-16):2642-52 Authors: Lin W, Skinner CD

Article GUID: 19575382

Increased oxidative modifications of amniotic fluid albumin in pregnancies associated with gestational diabetes mellitus.

Author(s): Boisvert MR, Koski KG, Skinner CD

Anal Chem. 2010 Feb 01;82(3):1133-7 Authors: Boisvert MR, Koski KG, Skinner CD

Article GUID: 20063865

ESI-MS quantitation of iron as its 4-(2-pyridylazo)resorcinol (PAR) complex: application to pharmaceutical tablets containing iron oxide pigment.

Author(s): Susanto D, English AM, Sharma R, Kwong E

J Mass Spectrom. 2011 May;46(5):508-16 Authors: Susanto D, English AM, Sharma R, Kwong E

Article GUID: 21520348

O4-alkyl-2'-deoxythymidine cross-linked DNA to probe recognition and repair by O6-alkylguanine DNA alkyltransferases.

Author(s): McManus FP, O'Flaherty DK, Noronha AM, Wilds CJ

Org Biomol Chem. 2012 Sep 21;10(35):7078-90 Authors: McManus FP, O'Flaherty DK, Noronha AM, Wilds CJ

Article GUID: 22850722

Preparation of covalently linked complexes between DNA and O(6)-alkylguanine-DNA alkyltransferase using interstrand cross-linked DNA.

Author(s): McManus FP, Khaira A, Noronha AM, Wilds CJ

Bioconjug Chem. 2013 Feb 20;24(2):224-33 Authors: McManus FP, Khaira A, Noronha AM, Wilds CJ

Article GUID: 23347328

SOD1 oxidation and formation of soluble aggregates in yeast: relevance to sporadic ALS development.

Author(s): Martins D, English AM

Redox Biol. 2014;2:632-9 Authors: Martins D, English AM

Article GUID: 24936435

Targeted proteomics identify metabolism-dependent interactors of yeast cytochrome c peroxidase: implications in stress response and heme trafficking.

Author(s): Kathiresan M, English AM

Metallomics. 2016 Apr;8(4):434-43 Authors: Kathiresan M, English AM

Article GUID: 26980054

Backbone Flexibility Influences Nucleotide Incorporation by Human Translesion DNA Polymerase η opposite Intrastrand Cross-Linked DNA.

Author(s): O'Flaherty DK, Guengerich FP, Egli M, Wilds CJ

Biochemistry. 2015 Dec 29;54(51):7449-56 Authors: O'Flaherty DK, Guengerich FP, Egli M, Wilds CJ

Article GUID: 26624500

Crystal structure of poly[di-aqua-(μ-2-carb-oxy-acetato-κ(3) O,O':O'')(2-carb-oxy-acetato-κO)di-μ-chlorido-dicobalt(II)].

Author(s): Bouaoud Y, Setifi Z, Buvailo A, Potaskalov VA, Merazig H, Dénés G

Acta Crystallogr E Crystallogr Commun. 2016 Jan 01;72(Pt 1):21-4 Authors: Bouaoud Y, Setifi Z, Buvailo A, Potaskalov VA, Merazig H, Dénés G

Article GUID: 26870577

Subunit orientation in the Escherichia coli enterobactin biosynthetic EntA-EntE complex revealed by a two-hybrid approach.

Author(s): Pakarian P, Pawelek PD

Biochimie. 2016 Aug;127:1-9 Authors: Pakarian P, Pawelek PD

Article GUID: 27086082

Stabilization of i-motif structures by 2'-β-fluorination of DNA.

Author(s): Assi HA, Harkness RW, Martin-Pintado N, Wilds CJ, Campos-Olivas R, Mittermaier AK, González C, Damha MJ

Nucleic Acids Res. 2016 06 20;44(11):4998-5009 Authors: Assi HA, Harkness RW, Martin-Pintado N, Wilds CJ, Campos-Olivas R, Mittermaier AK, González C, Damha MJ

Article GUID: 27166371

Expanding the range of binding energies and oxidizability of biologically relevant S-aromatic interactions: imidazolium and phenolate binding to sulfoxide and sulfone

Author(s): Orabi EA; English AM;

Oxidation and protonation/deprotonation strongly impact intermolecular noncovalent interactions. For example, S-aromatic interactions are stabilized up to three-fold in the gas phase on oxidation of the sulfur ligand or protonation/deprotonation of the arom...

Article GUID: 31214677

The interaction of streptococcal enolase with canine plasminogen: the role of surfaces in complex formation.

Author(s): Balhara V, Deshmukh SS, Kálmán L, Kornblatt JA

PLoS One. 2014;9(2):e88395 Authors: Balhara V, Deshmukh SS, Kálmán L, Kornblatt JA

Article GUID: 24520380

Sequence-dependent nanometer-scale conformational dynamics of individual RecBCD-DNA complexes.

Author(s): Carter AR, Seaberg MH, Fan HF, Sun G, Wilds CJ, Li HW, Perkins TT

Nucleic Acids Res. 2016 07 08;44(12):5849-60 Authors: Carter AR, Seaberg MH, Fan HF, Sun G, Wilds CJ, Li HW, Perkins TT

Article GUID: 27220465

Synthesis of Highly Functionalized Triarylbismuthines by Functional Group Manipulation and Use in Palladium- and Copper-Catalyzed Arylation Reactions.

Author(s): Hébert M, Petiot P, Benoit E, Dansereau J, Ahmad T, Le Roch A, Ottenwaelder X, Gagnon A

J Org Chem. 2016 07 01;81(13):5401-16 Authors: Hébert M, Petiot P, Benoit E, Dansereau J, Ahmad T, Le Roch A, Ottenwaelder X, Gagnon A

Article GUID: 27231755

Anthropogenic and natural methane emissions from a shale gas exploration area of Quebec, Canada.

Author(s): Pinti DL, Gelinas Y, Moritz AM, Larocque M, Sano Y

Sci Total Environ. 2016 Oct 01;566-567:1329-1338 Authors: Pinti DL, Gelinas Y, Moritz AM, Larocque M, Sano Y

Article GUID: 27267724

Characterization of two key enzymes for aromatic amino acid biosynthesis in symbiotic archaea.

Author(s): Shlaifer I, Turnbull JL

Extremophiles. 2016 Jul;20(4):503-14 Authors: Shlaifer I, Turnbull JL

Article GUID: 27290727

New insights on molecular interactions of organophosphorus pesticides with esterases.

Author(s): Mangas I, Estevez J, Vilanova E, França TC

Toxicology. 2017 Feb 01;376:30-43 Authors: Mangas I, Estevez J, Vilanova E, França TC

Article GUID: 27311923

Supramolecular control of monooxygenase reactivity in a copper(ii) cryptate.

Author(s): Chaloner L, Khomutovskaya A, Thomas F, Ottenwaelder X

Dalton Trans. 2016 Jul 05;45(27):11109-19 Authors: Chaloner L, Khomutovskaya A, Thomas F, Ottenwaelder X

Article GUID: 27328176

Intracellular co-localization of the Escherichia coli enterobactin biosynthetic enzymes EntA, EntB, and EntE.

Author(s): Pakarian P, Pawelek PD

Biochem Biophys Res Commun. 2016 09 09;478(1):25-32 Authors: Pakarian P, Pawelek PD

Article GUID: 27470582

Lesion Orientation of O4-Alkylthymidine Influences Replication by Human DNA Polymerase η.

Author(s): O'Flaherty DK, Patra A, Su Y, Guengerich FP, Egli M, Wilds CJ

Chem Sci. 2016 Aug 01;7(8):4896-4904 Authors: O'Flaherty DK, Patra A, Su Y, Guengerich FP, Egli M, Wilds CJ

Article GUID: 27574558

Preparation of Intrastrand {G}O(6) -Alkylene-O(6) {G} Cross-Linked Oligonucleotides.

Author(s): O'Flaherty DK, Wilds CJ

Curr Protoc Nucleic Acid Chem. 2016 09 01;66:5.17.1-5.17.24 Authors: O'Flaherty DK, Wilds CJ

Article GUID: 27584704

A novel set of vectors for Fur-controlled protein expression under iron deprivation in Escherichia coli.

Author(s): Pakarian P, Pawelek PD

BMC Biotechnol. 2016 09 13;16(1):68 Authors: Pakarian P, Pawelek PD

Article GUID: 27619907

Spectral Hole Burning in Cyanobacterial Photosystem I with P700 in Oxidized and Neutral States.

Author(s): Herascu N, Hunter MS, Shafiei G, Najafi M, Johnson TW, Fromme P, Zazubovich V

J Phys Chem B. 2016;120(40):10483-10495 Authors: Herascu N, Hunter MS, Shafiei G, Najafi M, Johnson TW, Fromme P, Zazubovich V

Article GUID: 27661089

Food-Web Complexity in Guaymas Basin Hydrothermal Vents and Cold Seeps.

Author(s): Portail M, Olu K, Dubois SF, Escobar-Briones E, Gelinas Y, Menot L, Sarrazin J

PLoS One. 2016;11(9):e0162263 Authors: Portail M, Olu K, Dubois SF, Escobar-Briones E, Gelinas Y, Menot L, Sarrazin J

Article GUID: 27683216

Oriented attachment by enantioselective facet recognition in millimeter-sized gypsum crystals.

Author(s): Viedma C, Cuccia LA, McTaggart A, Kahr B, Martin AT, McBride JM, Cintas P

Chem Commun (Camb). 2016 Sep 22;52(78):11673-11676 Authors: Viedma C, Cuccia LA, McTaggart A, Kahr B, Martin AT, McBride JM, Cintas P

Article GUID: 27722508

Analysis of Coxiela burnetti dihydrofolate reductase via in silico docking with inhibitors and molecular dynamics simulation.

Author(s): de Souza FR, Guimarães AP, Cuya T, de Freitas MP, Gonçalves ADS, Forgione P, Costa França TC

J Biomol Struct Dyn. 2017 Oct;35(13):2975-2986 Authors: de Souza FR, Guimarães AP, Cuya T, de Freitas MP, Gonçalves ADS, Forgione P, Costa França TC

Article GUID: 27726597

Directing the Viedma ripening of ethylenediammonium sulfate using "Tailor-made" chiral additives.

Author(s): Nguyen TP, Cheung PS, Werber L, Gagnon J, Sivakumar R, Lennox C, Sossin A, Mastai Y, Cuccia LA

Chem Commun (Camb). 2016 Oct 18;52(85):12626-12629 Authors: Nguyen TP, Cheung PS, Werber L, Gagnon J, Sivakumar R, Lennox C, Sossin A, Mastai Y, Cuccia LA

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O6-2'-Deoxyguanosine-butylene-O6-2'-deoxyguanosine DNA Interstrand Cross-Links Are Replication-Blocking and Mutagenic DNA Lesions.

Author(s): Xu W, Kool D, O'Flaherty DK, Keating AM, Sacre L, Egli M, Noronha A, Wilds CJ, Zhao L

Chem Res Toxicol. 2016 11 21;29(11):1872-1882 Authors: Xu W, Kool D, O'Flaherty DK, Keating AM, Sacre L, Egli M, Noronha A, Wilds CJ, Zhao L

Article GUID: 27768841

Site-specific covalent capture of human O6-alkylguanine-DNA-alkyltransferase using single-stranded intrastrand cross-linked DNA.

Author(s): O'Flaherty DK, Wilds CJ

Org Biomol Chem. 2016 Dec 20;15(1):189-196 Authors: O'Flaherty DK, Wilds CJ

Article GUID: 27886318

Biochemical characterization of TyrA enzymes from Ignicoccus hospitalis and Haemophilus influenzae: A comparative study of the bifunctional and monofunctional dehydrogenase forms.

Author(s): Shlaifer I, Quashie PK, Kim HY, Turnbull JL

Biochim Biophys Acta Proteins Proteom. 2017 Mar;1865(3):312-320 Authors: Shlaifer I, Quashie PK, Kim HY, Turnbull JL

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Procedure for the Selection and Validation of a Calibration Model I-Description and Application

Author(s): Brigitte Desharnais

Calibration model selection is required for all quantitative methods in toxicology and more broadly in bioanalysis. This typically involves selecting the equation order (quadratic or linear) and weighting factor correctly modelizing the data. A mis-selectio...

Article GUID: 28137730

Procedure for the Selection and Validation of a Calibration Model II-Theoretical Basis

Author(s): Brigitte Desharnais

In the first part of this paper (I-Description and application), an automated, stepwise and analyst-independent process for the selection and validation of calibration models was put forward and applied to two model analytes. This second part presents the m...

Article GUID: 28158619

Intracellular Delivery of Colloidally Stable Core-Cross-Linked Triblock Copolymer Micelles with Glutathione-Responsive Enhanced Drug Release for Cancer Therapy.

Author(s): Biswas D, An SY, Li Y, Wang X, Oh JK

Mol Pharm. 2017 08 07;14(8):2518-2528 Authors: Biswas D, An SY, Li Y, Wang X, Oh JK

Article GUID: 28207270

Multiblock Copolymer-Based Dual Dynamic Disulfide and Supramolecular Crosslinked Self-Healing Networks.

Author(s): An SY, Noh SM, Oh JK

Macromol Rapid Commun. 2017 Apr;38(8): Authors: An SY, Noh SM, Oh JK

Article GUID: 28221703

Pyrrole and Fused Pyrrole Compounds with Bioactivity against Inflammatory Mediators.

Author(s): Said Fatahala S, Hasabelnaby S, Goudah A, Mahmoud GI, Helmy Abd-El Hameed R

Molecules. 2017 Mar 17;22(3): Authors: Said Fatahala S, Hasabelnaby S, Goudah A, Mahmoud GI, Helmy Abd-El Hameed R

Article GUID: 28304349

Preservation of organic matter in marine sediments by inner-sphere interactions with reactive iron.

Author(s): Barber A, Brandes J, Leri A, Lalonde K, Balind K, Wirick S, Wang J, Gélinas Y

Sci Rep. 2017 03 23;7(1):366 Authors: Barber A, Brandes J, Leri A, Lalonde K, Balind K, Wirick S, Wang J, Gélinas Y

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Enhancing targeted antibiotic therapy via pH responsive solid lipid nanoparticles from an acid cleavable lipid.

Author(s): Kalhapure RS, Sikwal DR, Rambharose S, Mocktar C, Singh S, Bester L, Oh JK, Renukuntla J, Govender T

Nanomedicine. 2017 Aug;13(6):2067-2077 Authors: Kalhapure RS, Sikwal DR, Rambharose S, Mocktar C, Singh S, Bester L, Oh JK, Renukuntla J, Govender T

Article GUID: 28434930

LC-MS/MS suggests that hole hopping in cytochrome c peroxidase protects its heme from oxidative modification by excess H2O2.

Author(s): Kathiresan M, English AM

Chem Sci. 2017 Feb 01;8(2):1152-1162 Authors: Kathiresan M, English AM

Article GUID: 28451256

Stimulus-Responsive Degradable Polylactide-Based Block Copolymer Nanoassemblies for Controlled/Enhanced Drug Delivery.

Author(s): Bawa KK, Oh JK

Mol Pharm. 2017 08 07;14(8):2460-2474 Authors: Bawa KK, Oh JK

Article GUID: 28493712

A case of fatal idiosyncratic reaction to the designer drug 3,4-methylenedioxypyrovalerone (MDPV) and review of the literature.

Author(s): Desharnais B, Dazé Y, Huppertz LM, Mireault P, Skinner CD

Forensic Sci Med Pathol. 2017 Sep;13(3):350-354 Authors: Desharnais B, Dazé Y, Huppertz LM, Mireault P, Skinner CD

Article GUID: 28668987

Counting the Photons: Determining the Absolute Storage Capacity of Persistent Phosphors.

Author(s): Van der Heggen D, Joos JJ, Rodríguez Burbano DC, Capobianco JA, Smet PF

Materials (Basel). 2017 Jul 28;10(8): Authors: Van der Heggen D, Joos JJ, Rodríguez Burbano DC, Capobianco JA, Smet PF

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Polymers in Drug Delivery: Chemistry and Applications.

Author(s): Oh JK

Mol Pharm. 2017 08 07;14(8):2459 Authors: Oh JK PMID: 28780874 [PubMed - indexed for MEDLINE]

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Structural basis of interstrand cross-link repair by O6-alkylguanine DNA alkyltransferase.

Author(s): Denisov AY, McManus FP, O'Flaherty DK, Noronha AM, Wilds CJ

Org Biomol Chem. 2017 Oct 11;15(39):8361-8370 Authors: Denisov AY, McManus FP, O'Flaherty DK, Noronha AM, Wilds CJ

Article GUID: 28937154

Influence of nucleotide modifications at the C2' position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA.

Author(s): Copp W, Denisov AY, Xie J, Noronha AM, Liczner C, Safaee N, Wilds CJ, Gehring K

Nucleic Acids Res. 2017 Sep 29;45(17):10321-10331 Authors: Copp W, Denisov AY, Xie J, Noronha AM, Liczner C, Safaee N, Wilds CJ, Gehring K

Article GUID: 28973475

AGT Activity Towards Intrastrand Crosslinked DNA is Modulated by the Alkylene Linker.

Author(s): O'Flaherty DK, Wilds CJ

Chembiochem. 2017 12 05;18(23):2351-2357 Authors: O'Flaherty DK, Wilds CJ

Article GUID: 28980757

Improving negative liquid chromatography/electrospray ionization mass spectrometry lipidomic analysis of human plasma using acetic acid as a mobile-phase additive

Author(s): Monnin C; Ramrup P; Daigle-Young C; Vuckovic D;

Rationale: Mobile-phase additives in liquid chromatography/mass spectrometry (LC/MS) are used to improve peak shape, analyte ionization efficiency and method coverage. Both basic and acidic mobile phases have been used successfully for negative electrospray...

Article GUID: 29105990

Altering Residue 134 Confers an Increased Substrate Range of Alkylated Nucleosides to the E. coli OGT Protein.

Author(s): Schoonhoven NM, O'Flaherty DK, McManus FP, Sacre L, Noronha AM, Kornblatt MJ, Wilds CJ

Molecules. 2017 Nov 11;22(11): Authors: Schoonhoven NM, O'Flaherty DK, McManus FP, Sacre L, Noronha AM, Kornblatt MJ, Wilds CJ

Article GUID: 29137116

Luminescent studies of binuclear ternary europium(III) pyridineoxide tetrazolate complexes containing bis-phosphine oxide as auxiliary co-ligands.

Author(s): Mal S, Pietraszkiewicz M, Pietraszkiewicz O

Luminescence. 2018 Mar;33(2):370-375 Authors: Mal S, Pietraszkiewicz M, Pietraszkiewicz O

Article GUID: 29178666

Thermally Labile Self-Healable Branched Gel Networks Fabricated by New Macromolecular Engineering Approach Utilizing Thermoreversibility.

Author(s): Jung S, Patel T, Oh JK

Macromol Rapid Commun. 2018 Mar;39(5): Authors: Jung S, Patel T, Oh JK

Article GUID: 29210490

Differences in Riverine and Pond Water Dissolved Organic Matter Composition and Sources in Canadian High Arctic Watersheds Affected by Active Layer Detachments.

Author(s): Wang JJ, Lafrenière MJ, Lamoureux SF, Simpson AJ, Gélinas Y, Simpson MJ

Environ Sci Technol. 2018 Feb 06;52(3):1062-1071 Authors: Wang JJ, Lafrenière MJ, Lamoureux SF, Simpson AJ, Gélinas Y, Simpson MJ

Article GUID: 29301070

Smart Self-Assembled Nanosystem Based on Water-Soluble Pillararene and Rare-Earth-Doped Upconversion Nanoparticles for pH-Responsive Drug Delivery.

Author(s): Li H, Wei R, Yan GH, Sun J, Li C, Wang H, Shi L, Capobianco JA, Sun L

ACS Appl Mater Interfaces. 2018 Feb 07;10(5):4910-4920 Authors: Li H, Wei R, Yan GH, Sun J, Li C, Wang H, Shi L, Capobianco JA, Sun L

Article GUID: 29336139

In vitro studies of disease-linked variants of human tRNA nucleotidyltransferase reveal decreased thermal stability and altered catalytic activity.

Author(s): Leibovitch M, Hanic-Joyce PJ, Joyce PBM

Biochim Biophys Acta Proteins Proteom. 2018 Apr;1866(4):527-540 Authors: Leibovitch M, Hanic-Joyce PJ, Joyce PBM

Article GUID: 29454993

Cinnamomum zeylanicum bark essential oil induces cell wall remodelling and spindle defects in Candida albicans.

Author(s): Shahina Z, El-Ganiny AM, Minion J, Whiteway M, Sultana T, Dahms TES

Fungal Biol Biotechnol. 2018;5:3 Authors: Shahina Z, El-Ganiny AM, Minion J, Whiteway M, Sultana T, Dahms TES

Article GUID: 29456868

Microfluidic Assembly To Synthesize Dual Enzyme/Oxidation-Responsive Polyester-Based Nanoparticulates with Controlled Sizes for Drug Delivery.

Author(s): Hong SH, Patel T, Ip S, Garg S, Oh JK

Langmuir. 2018 03 13;34(10):3316-3325 Authors: Hong SH, Patel T, Ip S, Garg S, Oh JK

Article GUID: 29485889

Investigating the selectivity of potential new inhibitors of dihydrofolate reductase from Yersinia pestis designed by molecular modeling.

Author(s): Bastos LDC, de Souza FR, Pereira Souza LM, Forgione P, Cuya T, de Alencastro RB, Pimentel AS, Celmar Costa França T

J Biomol Struct Dyn. 2019 Mar;37(5):1170-1176 Authors: Bastos LDC, de Souza FR, Pereira Souza LM, Forgione P, Cuya T, de Alencastro RB, Pimentel AS, Celmar Costa França T PMID: 29542379 [PubMed - in process]

Article GUID: 29542379

Large-scale dewetting assembly of gold nanoparticles for plasmonic enhanced upconversion nanoparticles.

Author(s): Clarke C, Liu D, Wang F, Liu Y, Chen C, Ton-That C, Xu X, Jin D

Nanoscale. 2018 Apr 05;10(14):6270-6276 Authors: Clarke C, Liu D, Wang F, Liu Y, Chen C, Ton-That C, Xu X, Jin D

Article GUID: 29560984

Liquid chromatography - high resolution mass spectrometry method for monitoring of 17 mycotoxins in human plasma for exposure studies

Author(s): Slobodchikova I; Vuckovic D;

Mycotoxins are secondary metabolites produced by filamentous fungi. Primary route of human exposure to mycotoxins is the intake of the contaminated food. Minimizing mycotoxin exposure is important for population health, as their chronic toxic effects have b...

Article GUID: 29576275

Improving metabolome coverage and data quality: advancing metabolomics and lipidomics for biomarker discovery

Author(s): Dajana Vuckovic

This Feature Article highlights some of the key challenges within the field of metabolomics and examines what role separation and analytical sciences can play to improve the use of metabolomics in biomarker discovery and personalized medicine. Recent progre...

Article GUID: 29888773

Indexing of grazing-incidence X-ray diffraction patterns: the case of fibre-textured thin films.

Author(s): Simbrunner J, Simbrunner C, Schrode B, Röthel C, Bedoya-Martinez N, Salzmann I, Resel R

Acta Crystallogr A Found Adv. 2018 Jul 01;74(Pt 4):373-387 Authors: Simbrunner J, Simbrunner C, Schrode B, Röthel C, Bedoya-Martinez N, Salzmann I, Resel R

Article GUID: 29978847

Kinetics and molecular docking of dihydroxanthyletin-type coumarins from Angelica decursiva that inhibit cholinesterase and BACE1.

Author(s): Ali MY, Seong SH, Jung HA, Jannat S, Choi JS

Arch Pharm Res. 2018 Jul;41(7):753-764 Authors: Ali MY, Seong SH, Jung HA, Jannat S, Choi JS

Article GUID: 30047040

Alkyl chain length effects on double-deck assembly at a liquid/solid interface.

Author(s): Fang Y, Cibian M, Hanan GS, Perepichka DF, De Feyter S, Cuccia LA, Ivasenko O

Nanoscale. 2018 Aug 09;10(31):14993-15002 Authors: Fang Y, Cibian M, Hanan GS, Perepichka DF, De Feyter S, Cuccia LA, Ivasenko O

Article GUID: 30052249

Beyond the typical role of solvent

Author(s): Gilles H Peslherbe

No abstract available

Article GUID: 30131561

LC-MS/MS Proteoform Profiling Exposes Cytochrome c Peroxidase Self-Oxidation in Mitochondria and Functionally Important Hole Hopping from Its Heme

Author(s): Kathiresan M; English AM;

LC-MS/MS profiling reveals that the proteoforms of cytochrome c peroxidase (Ccp1) isolated from respiring yeast mitochondria are oxidized at numerous Met, Trp, and Tyr residues. In vitro oxidation of recombinant Ccp1 by H2O2 in the absence of its reducing s...

Article GUID: 30145880

Predicting structural and energetic changes in Met-aromatic motifs on methionine oxidation to the sulfoxide and sulfone

Author(s): Orabi EA; English AM;

Noncovalent interactions between Met and aromatic residues define a common Met-aromatic motif in proteins. Met oxidation to MetOn (n = 1 sulfoxide, n = 2 sulfone) alters protein stability and function. To predict the chemical and physical consequences of su...

Article GUID: 30168822

Superoxide dismutase activity confers (p)ppGpp-mediated antibiotic tolerance to stationary-phase Pseudomonas aeruginosa.

Author(s): Martins D, McKay G, Sampathkumar G, Khakimova M, English AM, Nguyen D

Proc Natl Acad Sci U S A. 2018 09 25;115(39):9797-9802 Authors: Martins D, McKay G, Sampathkumar G, Khakimova M, English AM, Nguyen D

Article GUID: 30201715

Dual disassembly and biological evaluation of enzyme/oxidation-responsive polyester-based nanoparticulates for tumor-targeting delivery.

Author(s): Hong SH, Larocque K, Jaunky DB, Piekny A, Oh JK

Colloids Surf B Biointerfaces. 2018 Dec 01;172:608-617 Authors: Hong SH, Larocque K, Jaunky DB, Piekny A, Oh JK

Article GUID: 30223243

PLA-Based Triblock Copolymer Micelles Exhibiting Dual Acidic pH/Reduction Responses at Dual Core and Core/Corona Interface Locations.

Author(s): Bawa KK, Jazani AM, Shetty C, Oh JK

Macromol Rapid Commun. 2018 Dec;39(24):e1800477 Authors: Bawa KK, Jazani AM, Shetty C, Oh JK

Article GUID: 30286258

Covalent capture of OGT's active site using engineered human-E. coli chimera and intrastrand DNA cross-links.

Author(s): Copp W, O'Flaherty DK, Wilds CJ

Org Biomol Chem. 2018 11 28;16(46):9053-9058 Authors: Copp W, O'Flaherty DK, Wilds CJ

Article GUID: 30430154

Dual Role of the C-Terminal Domain in Osmosensing by Bacterial Osmolyte Transporter ProP

Author(s): Culham DE; Marom D; Boutin R; Garner J; Ozturk TN; Sahtout N; Tempelhagen L; Lamoureux G; Wood JM;...

ProP is a member of the major facilitator superfamily, a proton-osmolyte symporter, and an osmosensing transporter. ProP proteins share extended cytoplasmic carboxyl terminal domains (CTDs) implica...

Article GUID: 30448037

Access to high-impact mutations constrains the evolution of antibiotic resistance in soft agar.

Author(s): Ghaddar N, Hashemidahaj M, Findlay BL

Sci Rep. 2018 Nov 19;8(1):17023 Authors: Ghaddar N, Hashemidahaj M, Findlay BL

Article GUID: 30451932

Schizosaccharomyces pombe contains separate CC- and A-adding tRNA nucleotidyltransferases.

Author(s): Reid NE, Ngou JS, Joyce PBM

Biochem Biophys Res Commun. 2019 Jan 15;508(3):785-790 Authors: Reid NE, Ngou JS, Joyce PBM

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Multifunctional Self-Assembled Supernanoparticles for Deep-Tissue Bimodal Imaging and Amplified Dual-Mode Heating Treatment.

Author(s): Yang F, Skripka A, Tabatabaei MS, Hong SH, Ren F, Benayas A, Oh JK, Martel S, Liu X, Vetrone F, Ma D

ACS Nano. 2019 Jan 22;13(1):408-420 Authors: Yang F, Skripka A, Tabatabaei MS, Hong SH, Ren F, Benayas A, Oh JK, Martel S, Liu X, Vetrone F, Ma D

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The Effect of Synbiotic Supplementation on Growth Parameters in Mild to Moderate FTT Children Aged 2-5 Years.

Author(s): Aflatoonian M, Taghavi Ardakani A, Modarresi SZ, Modaresi V, Karimi M, Ordooei M, Vakili M, Pakseresht B

Probiotics Antimicrob Proteins. 2019 Jan 09;: Authors: Aflatoonian M, Taghavi Ardakani A, Modarresi SZ, Modaresi V, Karimi M, Ordooei M, Vakili M, Pakseresht B

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Insights into Long-Term Toxicity of Triclosan to Freshwater Green Algae in Lake Erie.

Author(s): Xin X, Huang G, An C, Raina-Fulton R, Weger H

Environ Sci Technol. 2019 Feb 19;53(4):2189-2198 Authors: Xin X, Huang G, An C, Raina-Fulton R, Weger H

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Inhibition of β-site amyloid precursor protein cleaving enzyme 1 and cholinesterases by pterosins via a specific structure-activity relationship with a strong BBB permeability.

Author(s): Jannat S, Balupuri A, Ali MY, Hong SS, Choi CW, Choi YH, Ku JM, Kim WJ, Leem JY, Kim JE, Shrestha AC, Ham HN, Lee KH, Kim DM, Kang NS, Park GH

Exp Mol Med. 2019 02 12;51(2):12 Authors: Jannat S, Balupuri A, Ali MY, Hong SS, Choi CW, Choi YH, Ku JM, Kim WJ, Leem JY, Kim JE, Shrestha AC, Ham HN, Lee KH, Kim DM, Kang NS, Park GH

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Challenges Related to Three Cases of Fatal Intoxication to Multiple Novel Synthetic Opioids.

Author(s): Garneau B, Desharnais B, Beauchamp-Doré A, Lavallée C, Mireault P, Lajeunesse A

J Anal Toxicol. 2019 Mar 30;: Authors: Garneau B, Desharnais B, Beauchamp-Doré A, Lavallée C, Mireault P, Lajeunesse A

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Didymin, a dietary citrus flavonoid exhibits anti-diabetic complications and promotes glucose uptake through the activation of PI3K/Akt signaling pathway in insulin-resistant HepG2 cells.

Author(s): Ali MY, Zaib S, Rahman MM, Jannat S, Iqbal J, Park SK, Chang MS

Chem Biol Interact. 2019 May 25;305:180-194 Authors: Ali MY, Zaib S, Rahman MM, Jannat S, Iqbal J, Park SK, Chang MS

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Analysis of the pathogenic I326T variant of human tRNA nucleotidyltransferase reveals reduced catalytic activity and thermal stability in vitro linked to a conformational change.

Author(s): Leibovitch M, Reid NE, Victoria J, Hanic-Joyce PJ, Joyce PBM

Biochim Biophys Acta Proteins Proteom. 2019 Jun;1867(6):616-626 Authors: Leibovitch M, Reid NE, Victoria J, Hanic-Joyce PJ, Joyce PBM

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Building a global alliance of biofoundries.

Author(s): Hillson N, Caddick M, Cai Y, Carrasco JA, Chang MW, Curach NC, Bell DJ, Le Feuvre R, Friedman DC, Fu X, Gold ND, Herrgård MJ, Holowko MB, Jo...

Nat Commun. 2019 05 09;10(1):2040 Authors: Hillson N, Caddick M, Cai Y, Carrasco JA, Chang MW, Curach NC, Bell DJ, Le Feuvre R, Friedman DC, Fu X, Gold ND, Herrgård MJ, Holowko MB, Johnson JR...

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A Tool for Automatic Correction of Endogenous Concentrations: Application to BHB Analysis by LC-MS-MS and GC-MS

Author(s): Desharnais B; Lajoie MJ; Laquerre J; Savard S; Mireault P; Skinner CD;

Several substances relevant for forensic toxicology purposes have an endogenous presence in biological matrices: beta-hydroxybutyric acid (BHB), gamma-hydroxybutyric acid (GHB), steroids and human insulin, to name only a few. The presence of significant amo...

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Title:Author Correction: Building a global alliance of biofoundries.
Authors:Hillson NCaddick MCai YCarrasco JAChang MWCurach NCBell DJFeuvre RLFriedman DCFu XGold NDHerrgård MJHolowko MBJohnson JRJohnson RAKeasling JDKitney RIKondo ALiu CMartin VJJMenolascina FOgino CPatron NJPavan MPoh CLPretorius ISRosser SJScrutton NSStorch MTekotte HTravnik EVickers CEYew WSYuan YZhao HFreemont PS
Link:https://www.ncbi.nlm.nih.gov/pubmed/31296848?dopt=Abstract
DOI:10.1038/s41467-019-10862-1
Category:Nat Commun
PMID:31296848
Dept Affiliation: CHEMBIOCHEM
1 DOE Agile BioFoundry, Emeryville, CA, 94608, USA.
2 GeneMill, Institute of Integrative Biology, University of Liverpool, Liverpool, L69 7ZB, UK.
3 SYNBIOCHEM, Manchester Institute of Biotechnology and School of Chemistry, University of Manchester, Manchester, M13 9PL, UK.
4 Earlham Institute, Norwich Research Park, Norfolk, NR4 7UZ, UK.
5 NUS Synthetic Biology for Clinical and Technological Innovation (SynCTI), Department of Biochemistry, Yong Loo Lin School of Medicine, National University of Singapore, Singapore, 117456, Singapore.
6 Bioplatforms Australia, Research Park Drive, Macquarie University, Macquarie Park, NSW, 2109, Australia.
7 London DNA Foundry, Imperial College Translation & Innovation Hub, White City Campus, 80 WoodLane, London, W12 0BZ, UK.
8 Engineering Biology Research Consortium (EBRC), Emeryville, CA, 94608, USA.
9 Shenzhen Institute of Synthetic Biology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, People's Republic of China.
10 Centre for Applied Synthetic Biology, Concordia University, Montreal, Montreal, QC, H4B 1R6, Canada.
11 The Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, 2800, Kongens Lyngby, Denmark.
12 CSIRO Synthetic Biology Future Science Platform, Canberra, ACT 2601, Australia.
13 Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, Brisbane, QLD, 4072, Australia.
14 Department of Molecular Sciences, Macquarie University, Macquarie, NSW, 2109, Australia.
15 Global Helix LLC, BioBricks Foundation, and Engineering Biology Research Consortium (EBRC), Emeryville, CA 94608, USA.
16 Graduate School of Science, Technology, and Innovation, Kobe University, Kobe, 657-8501, Japan.
17 UK Centre for Mammalian Synthetic Biology SynthSys, School of Biological Sciences, University of Edinburgh, Edinburgh, EH93FF, UK.
18 DAMP Lab, Biological Design Center, Boston University, Boston, MA, 02215, USA.
19 Macquarie University, North Ryde, NSW, 2109, Australia.
20 Frontier Science Center for Synthetic Biology (MOE), TianjinUniversity, Tianjin, People's Republic of China.
21 Illinois Biological Foundry for Advanced Biomanufacturing (iBioFAB), University of Illinois at Urbana-Champaign, Urbana, IL, 61801, USA.
22 London DNA Foundry, Imperial College Translation & Innovation Hub, White City Campus, 80 WoodLane, London, W12 0BZ, UK. p.freemont@imperial.ac.uk.

Description:

Author Correction: Building a global alliance of biofoundries.

Nat Commun. 2019 Jul 11;10(1):3132

Authors: Hillson N, Caddick M, Cai Y, Carrasco JA, Chang MW, Curach NC, Bell DJ, Feuvre RL, Friedman DC, Fu X, Gold ND, Herrgård MJ, Holowko MB, Johnson JR, Johnson RA, Keasling JD, Kitney RI, Kondo A, Liu C, Martin VJJ, Menolascina F, Ogino C, Patron NJ, Pavan M, Poh CL, Pretorius IS, Rosser SJ, Scrutton NS, Storch M, Tekotte H, Travnik E, Vickers CE, Yew WS, Yuan Y, Zhao H, Freemont PS

Abstract

The original version of this Comment contained errors in the legend of Figure 2, in which the locations of the fifteenth and sixteenth GBA members were incorrectly given as '(15) Australian Genome Foundry, Macquarie University; (16) Australian Foundry for Advanced Biomanufacturing, University of Queensland.'. The correct version replaces this with '(15) Australian Foundry for Advanced Biomanufacturing (AusFAB), University of Queensland and (16) Australian Genome Foundry, Macquarie University'. This has been corrected in both the PDF and HTML versions of the Comment.

PMID: 31296848 [PubMed]