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Detection and identification of Naegleria species along with Naegleria fowleri in the tap water samples.
BMC Med Genomics
January 2025
Department of Clinical Laboratory Sciences, The Faculty of Applied Medical Sciences, Taif University, Taif, Saudi Arabia.
Naegleria fowleri, the causative agent of Primary Amoebic Meningoencephalitis (PAM), is commonly found in warm freshwater environments and can enter the brain through nasal passages during activities like swimming or ablution. PAM has a high fatality rate, raising concerns about its global health impact. In Pakistan, particularly in Karachi, a significant number of cases have been reported, often with no history of recreational water exposure, but with regular ablution using tap water.
View Article and Find Full Text PDFElectronic Polarizability Tunes the Function of the Human Bestrophin 1 Cl Channel.
J Chem Theory Comput
January 2025
Department of Physics, Clarendon Laboratory, University of Oxford, Oxford OX1 3PU, U.K.
Mechanisms of anion permeation within ion channels and nanopores remain poorly understood. Recent cryo-electron microscopy structures of the human bestrophin 1 Cl channel (hBest1) provide an opportunity to evaluate ion interactions predicted by molecular dynamics (MD) simulations against experimental observations. Here, we implement the fully polarizable force field AMOEBA in MD simulations on different conformations of hBest1.
View Article and Find Full Text PDFA Microfluidic Design for Quantitative Measurements of Shear Stress-Dependent Adhesion and Motion of Cells.
Biomimetics (Basel)
October 2024
Department of Chemistry, Faculty of Science and Engineering, Université Laval, Québec City, QC G1V 0A6, Canada.
Shear stress plays a crucial role in modulating cell adhesion and signaling. We present a microfluidic shear stress generator used to investigate the adhesion dynamics of , an amoeba cell model organism with well-characterized adhesion properties. We applied shear stress and tracked cell adhesion, motility, and detachment using time-lapse videomicroscopy.
View Article and Find Full Text PDFInvestigating the properties of fatty acid-based ionic liquids: advancement in AMOEBA force field.
Phys Chem Chem Phys
December 2024
Department of Chemistry and Biochemistry, The University of Texas at Dallas, 800 West Campbell Road, Richardson, Texas 75080, USA.
Developing the multipolar-polarizable AMOEBA force field for large molecules presents its own set of complexities. However, by segmenting the molecules into smaller fragments and ensuring that each fragment is transferable to other systems, the process of parameterizing large molecules such as fatty acids can be simplified without compromising accuracy. In this study, we present a fragment-based AMOEBA FF development for long-chain fatty acid ionic liquids (LCFA-ILs).
View Article and Find Full Text PDFPolarizable AMOEBA force field predicts thin and dense hydration layer around monosaccharides.
Chem Commun (Camb)
December 2024
Department of Chemistry, Virginia Tech, Blacksburg, VA 24061, USA.
Polarizable force fields crucially enhance the modeling of macromolecules in polar media. Here, we present new parameters to model six common monosaccharides with the polarizable AMOEBA force field. These parameters yield a thinner, but denser, hydration layer than that previously reported.
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