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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

No abstract available

Article GUID: 37475870

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

No abstract

Article GUID: 34694120

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Author(s): Copp W, Wilds CJ

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

Article GUID: 32543755

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

Author(s): Soroko M, Kwan DH

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

Article GUID: 32441090

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

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

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

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

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

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

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

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

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

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

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

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

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

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(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

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

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

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

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

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

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Chemical modification studies...

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

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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

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

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

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Author(s): Tsaprailis G, English AM

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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

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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...

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

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

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

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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...

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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...

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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

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

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

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

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

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

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

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

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

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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...

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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

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

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

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

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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

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

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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

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

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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...

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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...

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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

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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

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No abstract available

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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...

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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...

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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

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

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

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

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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...

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

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

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

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

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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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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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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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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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