Download full-text PDF |
Source |
|---|
Publication Analysis
Top Keywords
Similar Publications
Cobalt-based Photocatalysis: From Fundamental Principles to Applications in the Generation of C-X (X = C, O, N, H, Si) Bond.
Chemistry
January 2025
Jadavpur University, Chemistry, PG Science building, 700032, Kolkata, INDIA.
Over the past few decades, the merger of photocatalysis and transition metal-based catalysis or self-photoexcitation of transition metals has emerged as a useful tool in organic transformations. In this context, cobalt-based systems have attracted significant attention as sustainable alternatives to the widely explored platinum group heavy metals (iridium, rhodium, ruthenium) for photocatalytic chemical transformations. This review encompasses the basic types of cobalt-based homogeneous photocatalytic systems, their working principles, and the recent developments (2018-2024) in C-X (X = C, N, O, H, Si) bond formations.
View Article and Find Full Text PDFNeural evidence for perceiving a vowel merger after a social interaction within a native language.
Brain Lang
February 2025
Univ. Lille, CNRS, UMR 9193 - SCALab - Sciences Cognitives et Sciences Affectives, F-59000 Lille, France; Univ. Lille, Inria, CNRS, Centrale Lille, UMR 9189 - CRIStAL, F-59000, Lille, France. Electronic address:
Although previous research has shown that speakers adapt on the words they use, it remains unclear whether speakers adapt their phonological representations, leading them to perceive new phonemic contrasts following a social interaction. This event-related potential (ERP) study investigates whether the neuronal responses to the perception of the /e/-/ε/ vowel merger in Northern French speakers show evidence for discriminating /e/ and /ε/ phonemes after interacting with a speaker who produced this contrast. Northern French participants engaged in an interactive map task and we measured their ERP responses elicited after the presentation of a last syllable which was either phonemically identical to or different from preceding syllables.
View Article and Find Full Text PDFFragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding-based methodology.
J Cheminform
January 2025
Oxford Protein Informatics Group, Department of Statistics, University of Oxford, Oxford, UK.
Current strategies centred on either merging or linking initial hits from fragment-based drug design (FBDD) crystallographic screens generally do not fully leaverage 3D structural information. We show that an algorithmic approach (Fragmenstein) that 'stitches' the ligand atoms from this structural information together can provide more accurate and reliable predictions for protein-ligand complex conformation than general methods such as pharmacophore-constrained docking. This approach works under the assumption of conserved binding: when a larger molecule is designed containing the initial fragment hit, the common substructure between the two will adopt the same binding mode.
View Article and Find Full Text PDFSynergizing GA-XGBoost and QSAR modeling: Breaking down activity aliffs in HDAC1 inhibitors.
J Mol Graph Model
March 2025
Department of Chemistry, Faculty of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh,11623, Saudi Arabia. Electronic address:
The work being presented now combines severe gradient boosting with Shapley values, a thriving merger within the field of explainable artificial intelligence. We also use a genetic algorithm to analyse the HDAC1 inhibitory activity of a broad pool of 1274 molecules experimentally reported for HDAC1 inhibition. We conduct this analysis to ascertain the HDAC1 inhibitory activity of these molecules.
View Article and Find Full Text PDFSeparation of sticker-spacer energetics governs the coalescence of metastable condensates.
Biophys J
January 2025
Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts. Electronic address:
Biological condensates often emerge as a multidroplet state and never coalesce into one large droplet within the experimental timespan. Previous work revealed that the sticker-spacer architecture of biopolymers may dynamically stabilize the multidroplet state. Here, we simulate the condensate coalescence using metadynamics approach and reveal two distinct physical mechanisms underlying the fusion of droplets.
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!