Results 181 to 190 of about 327,247 (251)

Systems Pharmacology Investigation of Phytochemicals From Scilla peruviana L.: Integrated Gas Chromatography–Mass Spectrometry Profiling, Network Pharmacology, and Molecular Docking Reveal Potential Anti‐Inflammatory Mechanisms

ChemistryOpen, Volume 15, Issue 11, November 2026.
This study aims to characterize the volatile and fatty acid constituents of Scilla peruviana and investigate their potential anti‐inflammatory mechanisms. Volatile compounds are identified by headspace solid‐phase microextraction (HS‐SPME) coupled with GC–MS, whereas fatty acids are analyzed by GC–MS following derivatization.
Roukia Zatout, Ouided Benslama, Stefania Garzoli   +2 more
wiley   +1 more source

Machine Learning and Structural Analysis for Generation‐Wise Selection of Perylene Diimide Dendrimers Based on Topological Compatibility With Drug Molecules

ChemistryOpen, Volume 15, Issue 11, November 2026.
Machine learning and graph‐theoretic descriptors are integrated to evaluate topology‐based compatibility between perylene diimide‐core dendrimer generations and antiviral, antioxidant, and imaging agents. Standardized structural similarity reveals generation‐dependent compatibility patterns, while Gaussian process regression uncovers key structure ...
Zainab Bibi, Jabbar Ali, Sana Irshad, Muhammad Saad Ghafar, Yasir Ali, Yilun Shang   +5 more
wiley   +1 more source

Category-Native Solomonoff Approximation: From Algorithmic Geometry to Kernels, Operators, and Induction. [PDF]

Entropy (Basel)
Hamzi B, Hutter M.
europepmc   +1 more source

Climate Shapes Elevational Gradients in Concentration, Composition, and Functional Diversity of Willow Metabolomes

Plant, Cell &Environment, Volume 49, Issue 11, Page 8851-8866, November 2026.
ABSTRACT Plants produce broad spectra of metabolites comprising primary metabolites involved in core physiological processes and specialized metabolites mediating responses to biotic and abiotic stress. Understanding how these various components of the metabolome respond to different environmental pressures can help us to understand drivers of ...
Sofian A. Renoult, Priscila Mezzomo, Jing V. Leong, Pavel Sebek, Shristee Panthee, Jaroslav Kukla, Petr Nguyen, Martin Moos, Dale L. Forrister, Natascha D. Wagner, Elvira Hörandl, Petr Koutecký, Brian E. Sedio, Jan Frouz, Nicole M. van Dam, Martin Volf   +15 more
wiley   +1 more source

Semantic Algorithmic Information Theory: From Kolmogorov Complexity to Semantic Equivalence. [PDF]

Entropy (Basel)
Wu J, Wang S, Niu K, She Y, Zhang P.
europepmc   +1 more source

DigiChrom: A Domain Ontology for Semantic Representation of Trivalent Chromium Platings and Its Large Language Model‐Based Alignment With Multiple Mid‐Level Ontologies

Advanced Engineering Materials, Volume 28, Issue 20, 21 October 2026.
Digitalizing electroplating requires both domain knowledge and interoperability. This work introduces PlatOn, a domain ontology for trivalent chromium plating and coating characterization, and a hybrid pipeline that aligns it to a mid‐level reference ontology by combining eight similarity metrics with language model reasoning. Expert‐validated mappings
Janik Harter, Elena Garcia Trelles, Christoph Schweizer, Thomas Seifert, Christoph Baumer, Mahmoud Elkady, Katja Feige, Daniel Grimme, Edgar Hoffmann, Andreas Waibel, Anke Walter   +10 more
wiley   +1 more source

Monopole-mediated light control of half skyrmion topology in nematic liquid crystals. [PDF]

Nat Commun
Asilehan Z, Tang W, Zheng X, Wang R, Zhang J, Tian K, Vergara F, Shi Q, Chen Z, Jiang J, Zhang R, Peng C.   +11 more
europepmc   +1 more source

Limiting Trial‐and‐Error: Linker‐Based 2D Descriptor Analysis to Support Very Early Proteolysis‐Targeting Chimeras Design

ChemMedChem, Volume 21, Issue 19, 14 October 2026.
Can simple linker descriptors guide PROTAC design? Analysis of matched CRBN‐ and VHL‐recruiting degraders shows that basic 2D linker properties may capture trends linked to degradation efficiency, in vitro ADME and physicochemical properties. A practical approach to reduce trial‐and‐error in early targeted protein degradation programs. Targeted protein
Giulia Apprato, Serena Traversa, Giulia Caron, Giuseppe Ermondi   +3 more
wiley   +1 more source

Topology, imaging, and emergent phenomena of spin textures. [PDF]

Sci Adv
Rosch A, Pfleiderer C, Fiebig M, Yu X, Tokura Y, Nagaosa N.   +5 more
europepmc   +1 more source

Field‐Assisted Substrate Ionization as a Plausible Initiating Step in Enzyme Catalysis

International Journal of Quantum Chemistry, Volume 126, Issue 19, October 5, 2026.
Strong, spatially heterogeneous electrostatic fields within enzyme active sites may facilitate field‐assisted electron tunneling from bound substrates, transiently generating radical‐cation character and opening alternative pathways for catalytic activation.
Marianne Kerleaux, Florian Regnier, Jean‐Nicolas Vigneau, Chérif F. Matta   +3 more
wiley   +1 more source