Multifunctional ZnO Nanoparticles Synthesized Using <i>Spirodela polyrhiza</i> Extract: Characterization, Photocatalytic Activity, Antimicrobial Assessment, and In Silico Modeling. [PDF]
Bioinorg Chem ApplKhan AA +5 more
europepmc +1 more source
Advanced Science, EarlyView.This study identifies C4 as a lead inhibitor of the Lpt system. Notably, C4 potentiates colistin activity by disrupting LPS transport and remodeling phospholipid homeostasis, revealing a functional interplay between the Lpt and Mla systems. These findings establish a mechanistic link between Lpt inhibition and membrane lipid remodeling, positioning Lpt–
Jianya Luo +6 more
wiley +1 more source
Self-emulsifying Nano-PND oral delivery systems of PND1186: In silico modeling for bioavailability estimation. [PDF]
J Mol LiqVats M +4 more
europepmc +1 more source
Advanced Science, EarlyView.Caspofungin heteroresistance is prevalent in clinical Candida glabrata isolates and depends on calcineurin‐mediated stress adaptation. This transient phenotype serves as a reservoir for resistance evolution, enabling the emergence of stable resistant descendants under prolonged drug pressure.
Yanyu Su +7 more
wiley +1 more source
Generating synthetic signaling networks for in silico modeling studies. [PDF]
J Theor BiolXu J, Wiley HS, Sauro HM.
europepmc +1 more source
Molecular Design Strategies for High‐Voltage Organic Cathodes
Advanced Energy Materials, EarlyView.This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong +8 more
wiley +1 more source
In Silico Modeling of Myelin Oligodendrocyte Glycoprotein Disulfide Bond Reduction by Phosphine-Borane Complexes. [PDF]
Pharmaceuticals (Basel)Remtulla R, Das SK, Levin LA.
europepmc +1 more source
Asking the 5 W's for designing next‐generation bioprocessing
AIChE Journal, EarlyView.Abstract Biotechnology is expanding beyond traditional, centralized fermentation and toward next‐generation bioprocessing paradigms that emphasize flexible deployment outside the laboratory with application‐specific performance. However, many bioprocesses fail to translate beyond proof‐of‐concept into industrially viable systems because early design ...
Sangdo Yook +4 more
wiley +1 more source
In Silico Modeling of Fabry Disease Pathophysiology for the Identification of Early Cellular Damage Biomarker Candidates. [PDF]
Int J Mol SciGervas-Arruga J +6 more
europepmc +1 more source
AIChE Journal, EarlyView.Abstract This study presents a coupled population balance model (PBM) for describing the degree‐of‐agglomeration (DoA) in crystallization by independently tracking total particle and agglomerate number densities. Applied to an industrial active pharmaceutical ingredient, the model outperformed bridge‐counting methods and accurately captured DoA trends ...
Yung‐Shun Kang +6 more
wiley +1 more source