Download full-text PDF |
Source |
|---|
Publication Analysis
Top Keywords
Similar Publications
Leveraging molecular dynamics, physicochemical, and structural analysis to explore OMP33-36 protein as a drug target in Acinetobacter baumannii: An approach against nosocomial infection.
J Mol Graph Model
January 2025
Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Gomtinagar Extension, Lucknow, 226028, India; Research Cell, Amity University Uttar Pradesh, Lucknow Campus, India. Electronic address:
The Acinetobacter baumannii is a member of the "ESKAPE" bacteria responsible for many serious multidrug-resistant (MDR) illnesses. This bacteria swiftly adapts to environmental cues leading to the emergence of multidrug-resistant variants, particularly in hospital/medical settings. In this work, we have demonstrated the outer membrane protein 33-36 (Omp33-36) porin as a potential therapeutic target in A.
View Article and Find Full Text PDFTask activation results in regional C-lactate signal increase in the human brain.
J Cereb Blood Flow Metab
January 2025
Department of Medical Biophysics, University of Toronto, Toronto, Ontario, Canada.
Hyperpolarized-C magnetic resonance imaging (HP-C MRI) was used to image changes in C-lactate signal during a visual stimulus condition in comparison to an eyes-closed control condition. Whole-brain C-pyruvate, C-lactate and C-bicarbonate production was imaged in healthy volunteers (N = 6, ages 24-33) for the two conditions using two separate hyperpolarized C-pyruvate injections. BOLD-fMRI scans were used to delineate regions of functional activation.
View Article and Find Full Text PDFHigh-Purity Ethylene Production from Ethane/Ethylene Mixtures at Ambient Conditions by Ethane-Selective Fluorine-Doped Activated Carbon Adsorbents.
ACS Appl Mater Interfaces
January 2025
Department of Chemical Engineering, University of Patras, Patras 26504, Greece.
Energy-efficient separation of light alkanes from alkenes is considered as one of the most important separations of the chemical industry today due to the high energy penalty associated with the applied conventional cryogenic technologies. This study introduces fluorine-doped activated carbon adsorbents, where elemental fluorine incorporation into the carbon matrix plays a unique role in achieving high ethane selectivity. This enhanced selectivity arises from specific interactions between surface-doped fluorine atoms and ethane molecules, coupled with porosity modulation.
View Article and Find Full Text PDFEnhancing Activation Energy Predictions under Data Constraints Using Graph Neural Networks.
J Chem Inf Model
January 2025
Department of Chemical Engineering, National Taiwan University, No. 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan.
Accurately predicting activation energies is crucial for understanding chemical reactions and modeling complex reaction systems. However, the high computational cost of quantum chemistry methods often limits the feasibility of large-scale studies, leading to a scarcity of high-quality activation energy data. In this work, we explore and compare three innovative approaches (transfer learning, delta learning, and feature engineering) to enhance the accuracy of activation energy predictions using graph neural networks, specifically focusing on methods that incorporate low-cost, low-level computational data.
View Article and Find Full Text PDFThe developmental lipidome of Nippostrongylus brasiliensis.
Parasit Vectors
January 2025
Department of Veterinary Biosciences, Melbourne Veterinary School, Faculty of Science, The University of Melbourne, Parkville, VIC, 3010, Australia.
Background: Nippostrongylus brasiliensis-a nematode of rodents-is commonly used as a model to study the immunobiology of parasitic nematodes. It is a member of the Strongylida-a large order of socioeconomically important parasitic nematodes of animals. Lipids are known to play essential roles in nematode biology, influencing cellular membranes, energy storage and/or signalling.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!