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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 possible molecular targets of oritavancin in human and microbes in relevance to its mechanism of action and ...

Article GUID: 39439008


Cell Fate Dynamics Reconstruction Identifies TPT1 and PTPRZ1 Feedback Loops as Master Regulators of Differentiation in Pediatric Glioblastoma-Immune Cell Networks

Author(s): Abicumaran Uthamacumaran

Pediatric glioblastoma is a complex dynamical disease that is difficult to treat due to its multiple adaptive behaviors driven largely by phenotypic plasticity. Integrated data science and network theory pipelines offer novel approaches to studying glioblastoma cell fate dynamics, particularly phenotypic transitions over time. Here we used various single- ...

Article GUID: 39420135


In Silico Study of the Early Stages of Aggregation of β-Sheet Forming Antimicrobial Peptide GL13K

Author(s): Hamidabad MN; Watson NA; Wright LN; Mansbach RA;

Antimicrobial peptides (AMPs) are of growing interest as potential candidates that may offer more resilience against antimicrobial resistance than traditional antibiotic agents. In this article, we perform the first in silico study of the synthetic ß sheet-forming AMP GL13K. Through atomistic simulations of single and multi-peptide systems under different ...

Article GUID: 38572930


Subharmonic resonance of phospholipid coated ultrasound contrast agent microbubbles

Author(s): Yusefi H; Helfield B;

Phospholipid encapsulated ultrasound contrast agents have proven to be a powerful addition in diagnostic imaging and show emerging applications in targeted therapy due to their resonant and nonlinear scattering. Microbubble response is affected by their intrinsic (e.g. bubble size, encapsulation physics) and extrinsic (e.g. boundaries) factors. One of the ...

Article GUID: 38217906


Microgeographic variation in demography and thermal regimes stabilize regional abundance of a widespread freshwater fish

Author(s): Gallagher BK; Fraser DJ;

Predicting the persistence of species under climate change is an increasingly important objective in ecological research and management. However, biotic and abiotic heterogeneity can drive asynchrony in population responses at small spatial scales, complicating species-level assessments. For widely distributed species consisting of many fragmented populat ...

Article GUID: 38071739


Multi-objective control optimization of isolated bridge using replicator controller and NSGA-II

Author(s): Momeni Z; Bagchi A;

Earthquakes can cause significant damage to constructed structures, leading engineers to design systems that effectively reduce damage and improve real-time vibration control. While base isolation is a commonly used passive method for seismic protection in highway structures, it has limitations such as a lack of immediate adaptation, constrained power dis ...

Article GUID: 37662735


The experimental multi-arm pendulum on a cart: A benchmark system for chaos, learning, and control

Author(s): Kaheman K; Fasel U; Bramburger JJ; Strom B; Kutz JN; Brunton SL;

The single, double, and triple pendulum has served as an illustrative experimental benchmark system for scientists to study dynamical behavior for more than four centuries. The pendulum system exhibits a wide range of interesting behaviors, from simple harmonic motion in the single pendulum to chaotic dynamics in multi-arm pendulums. Under forcing, even t ...

Article GUID: 37637793


Pushed to the edge: Spatial sorting can slow down invasions

Author(s): Shaw AK; Lutscher F; Popovic L;

Our ability to understand population spread dynamics is complicated by rapid evolution, which renders simple ecological models insufficient. If dispersal ability evolves, more highly dispersive individuals may arrive at the population edge than less dispersive individuals (spatial sorting), accelerating spread. If individuals at the low-density population ...

Article GUID: 37198882


Microfluidics for long-term single-cell time-lapse microscopy: Advances and applications

Author(s): Allard P; Papazotos F; Potvin-Trottier L;

Cells are inherently dynamic, whether they are responding to environmental conditions or simply at equilibrium, with biomolecules constantly being made and destroyed. Due to their small volumes, the chemical reactions inside cells are stochastic, such that genetically identical cells display heterogeneous behaviors and gene expression profiles. Studying t ...

Article GUID: 36312536


The influence of inter-bubble spacing on the resonance response of ultrasound contrast agent microbubbles

Author(s): Yusefi H; Helfield B;

Ultrasound-driven microbubbles, typically between 1 and 8 µm in diameter, are resonant scatterers that are employed as diagnostic contrast agents and emerging as potentiators of targeted therapies. Microbubbles are administered in populations whereby their radial dynamics - key to their effectiveness - are greatly affected by intrinsic (e.g. bubble size) ...

Article GUID: 36223708


Pilates training reduces blood pressure in older women with type 2 diabetes: A randomized controlled trial

Author(s): Andrade IYTP; Melo KCB; Andrade KTP; Almeida LG; Moreira SR;

Introduction: The study investigated the effect of 12 weeks of pilates training on the hemodynamic responses of older women with type-2 diabetes (T2D). Methods: 22 individuals with T2D were randomly allocated into two groups: CONTROL (n = 11; 67.5 ± 6.3 years; 154.7 ± 6.1 cm; 73.5 ± 6.1 kg; calorie intake: 1487.5 ± 360.6 kcal/day) and PILATES (n = 11; 65 ...

Article GUID: 35500966


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