Výsledky vyhledávání - "Molecular Structure"

RIGR: Resonance-Invariant Graph Representation for Molecular Property Prediction.

Autoři: Zalte AS Pang HW Doner AC a další

Zdroj: Journal of chemical information and modeling [J Chem Inf Model] 2025 Oct 27; Vol. 65 (20), pp. 10832-10843. Date of Electronic Publication: 2025 Oct 08.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

Výrazy ze slovníku MeSH: Machine Learning* , Molecular Structure*, Neural Networks, Computer

Key factors in semi-generic coarse-grained modeling of solid polymer electrolytes.

Autoři: Zhang, Yuanhao Hall, Lisa M.

Zdroj: Journal of Chemical Physics. 11/21/2025, Vol. 163 Issue 19, p1-20. 20p.

Témata: *POLYELECTROLYTES, *MOLECULAR structure, *COPOLYMERS, *GLASS transition temperature, *PERMITTIVITY, *POLYMETHYLMETHACRYLATE

Exploring the intra- and intermolecular disulfide-centered non-covalent interactions in methyl allyl disulfide and its complex with water.

Autoři: Li, Xiaolong Lv, Wenqi Grabow, Jens-Uwe a další

Zdroj: Journal of Chemical Physics. 11/21/2025, Vol. 163 Issue 19, p1-9. 9p.

Témata: *QUANTUM chemistry, *MOLECULAR structure, *CONFORMERS (Chemistry), *HYDROGEN bonding, *INTERMOLECULAR interactions, *DISULFIDES

Synthesis, molecular structure, spectroscopic, electronic properties, molecular docking, and molecular dynamics studies on novel 1,2,3-triazole-thiosemicarbazone: A potent breast cancer drug.

Autoři: Ait Elmachkouri Y Rajesh R Altharawi A a další

Zdroj: Computational biology and chemistry [Comput Biol Chem] 2025 Dec; Vol. 119, pp. 108580. Date of Electronic Publication: 2025 Jul 02.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Country of Publication: England NLM ID: 101157394 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-928X (Electronic) Linking ISSN: 14769271 NLM ISO Abbreviation: Comput Biol Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Triazoles*/chemistry , Triazoles*/pharmacology , Triazoles*/chemical synthesis , Thiosemicarbazones*/chemistry , Thiosemicarbazones*/pharmacology , Thiosemicarbazones*/chemical synthesis , Molecular Dynamics Simulation* , Molecular Docking Simulation* , Antineoplastic Agents*/chemical synthesis , Antineoplastic Agents*/chemistry , Antineoplastic Agents*/pharmacology , Breast Neoplasms*/drug therapy , Breast Neoplasms*/metabolism, Molecular Structure ; Humans ; Density Functional Theory ; Female ; Electrons

The effect of particle size and molecular structure of starch-based crosslinkers on self-healing behavior of hydrogel.

Autoři: Liu Y Nong Z Li M a další

Zdroj: Food chemistry [Food Chem] 2025 Nov 30; Vol. 493 (Pt 3), pp. 145922. Date of Electronic Publication: 2025 Aug 12.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Starch*/chemistry , Starch*/analogs & derivatives , Hydrogels*/chemistry , Cross-Linking Reagents*/chemistry, Particle Size ; Molecular Structure ; Chitosan/chemistry ; Chitosan/analogs & derivatives ; Nanoparticles/chemistry

Effect of Microwave Irradiation Assisted With Pre-Acidification on the Molecular Structure and Emulsification Properties of Quinoa Starch.

Autoři: Han L Fu W Wang Y a další

Zdroj: Journal of food science [J Food Sci] 2025 Nov; Vol. 90 (11), pp. e70699.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Wiley on behalf of the Institute of Food Technologists Country of Publication: United States NLM ID: 0014052 Publication Model: Print Cited Medium: Internet ISSN: 1750-3841 (Electronic) Linking ISSN: 00221147 NLM ISO Abbreviation: J Food Sci Subsets: MEDLINE

Výrazy ze slovníku MeSH: Chenopodium quinoa*/chemistry , Starch*/chemistry , Starch*/radiation effects , Starch*/ultrastructure, Microwaves ; Molecular Structure ; Particle Size ; Emulsifying Agents/chemistry

The impact of wingtip N-substitution on the bioactivity of azolium salts.

Autoři: Ibrahim H Bala MD Ntola P

Zdroj: European journal of medicinal chemistry [Eur J Med Chem] 2025 Oct 05; Vol. 295, pp. 117797. Date of Electronic Publication: 2025 May 27.

Způsob vydávání: Journal Article; Review

Informace o časopise: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Azo Compounds*/chemistry , Azo Compounds*/pharmacology, Animals ; Humans ; Molecular Structure ; Salts/chemistry ; Salts/pharmacology ; Structure-Activity Relationship ; Triazoles/chemistry ; Triazoles/pharmacology

Effects of polysaccharides and soy protein isolate on the gel properties and molecular structure of squid (Dosidicus gigas) surimi.

Autoři: Li M Jiang X Zhang Y a další

Zdroj: Journal of the science of food and agriculture [J Sci Food Agric] 2025 Oct; Vol. 105 (13), pp. 7085-7094. Date of Electronic Publication: 2025 Jun 05.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: John Wiley & Sons Country of Publication: England NLM ID: 0376334 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1097-0010 (Electronic) Linking ISSN: 00225142 NLM ISO Abbreviation: J Sci Food Agric Subsets: MEDLINE

Výrazy ze slovníku MeSH: Decapodiformes*/chemistry , Soybean Proteins*/chemistry , Polysaccharides*/chemistry , Fish Products*/analysis, Animals ; Gels/chemistry ; Hydrophobic and Hydrophilic Interactions ; Molecular Structure ; Food Handling ; Food Additives/chemistry

The bitterness, biosynthesis, chemical transformation, and antidiabetic activity of cucurbitane-type triterpenoids from bitter gourd (Momordica charantia L.).

Autoři: Liu L Lin Z Cai X a další

Zdroj: Food chemistry [Food Chem] 2025 Dec 30; Vol. 497, pp. 147081. Date of Electronic Publication: 2025 Nov 11.

Způsob vydávání: Journal Article; Review

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Momordica charantia*/chemistry , Momordica charantia*/metabolism , Hypoglycemic Agents*/chemistry , Hypoglycemic Agents*/metabolism , Hypoglycemic Agents*/pharmacology , Triterpenes*/chemistry , Triterpenes*/metabolism , Triterpenes*/pharmacology , Plant Extracts*/chemistry , Plant Extracts*/metabolism , Plant Extracts*/pharmacology, Humans ; Taste ; Animals ; Molecular Structure ; Glycosides

Structural modification of ferulic acid for manipulating its bitterness inhibition regulation.

Autoři: Sun L Fang Z Zhou J a další

Zdroj: Food chemistry [Food Chem] 2025 Dec 30; Vol. 497, pp. 146994. Date of Electronic Publication: 2025 Nov 06.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Coumaric Acids*/chemistry , Coumaric Acids*/pharmacology , Flavoring Agents*/chemistry , Flavoring Agents*/pharmacology, Humans ; Taste/drug effects ; Molecular Docking Simulation ; Molecular Structure ; Receptors, G-Protein-Coupled/metabolism ; Receptors, G-Protein-Coupled/chemistry ; Receptors, G-Protein-Coupled/genetics ; Structure-Activity Relationship ; Hep G2 Cells

11,12-dihydrolactaroviolin from edible mushroom Lactarius hatsudake Tanaka as a selective inhibitor of Mycobacterium tuberculosis.

Autoři: Zhong P Bi L Chang S a další

Zdroj: Food chemistry [Food Chem] 2025 Dec 30; Vol. 497, pp. 146964. Date of Electronic Publication: 2025 Nov 05.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Mycobacterium tuberculosis*/drug effects , Mycobacterium tuberculosis*/genetics , Mycobacterium tuberculosis*/metabolism , Antitubercular Agents*/pharmacology , Antitubercular Agents*/chemistry , Antitubercular Agents*/isolation & purification , Basidiomycota*/chemistry , Agaricales*/chemistry, Microbial Sensitivity Tests ; Molecular Docking Simulation ; Humans ; Bacterial Proteins/metabolism ; Bacterial Proteins/genetics ; Bacterial Proteins/chemistry ; Molecular Structure

Structural verification of phenolic compounds in the aqueous extract of Chrysanthemum morifolium using LC-DAD-SPE-NMR method.

Autoři: Liu H Xin M Luo L a další

Zdroj: Food chemistry [Food Chem] 2025 Dec 25; Vol. 496 (Pt 2), pp. 146722. Date of Electronic Publication: 2025 Oct 12.

Způsob vydávání: Journal Article; Evaluation Study

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Chrysanthemum*/chemistry , Phenols*/chemistry , Phenols*/isolation & purification , Plant Extracts*/chemistry , Plant Extracts*/isolation & purification , Solid Phase Extraction*/methods, Magnetic Resonance Spectroscopy/methods ; Molecular Structure ; Chromatography, High Pressure Liquid/methods ; Flavonoids/chemistry ; Flavonoids/isolation & purification

Investigation of the structure-activity relationship of resveratrol and its glycosylated and acylated derivatives in relation to their α-glucosidase inhibitory activities.

Autoři: Lin C Luo J Wang S a další

Zdroj: Food chemistry [Food Chem] 2025 Dec 25; Vol. 496 (Pt 2), pp. 146809. Date of Electronic Publication: 2025 Oct 22.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Resveratrol*/chemistry , Glycoside Hydrolase Inhibitors*/chemistry , Stilbenes*/chemistry, alpha-Glucosidases/chemistry ; alpha-Glucosidases/metabolism ; Structure-Activity Relationship ; Acylation ; Glycosylation ; Molecular Docking Simulation ; Molecular Structure ; Molecular Dynamics Simulation

Hydroxyl substitution patterns affect flavonoid-HSA binding: Mechanistic insights from multispectral spectroscopy and molecular simulations.

Autoři: Zhao Z Fang X Gao Y a další

Zdroj: Food chemistry [Food Chem] 2025 Dec 25; Vol. 496 (Pt 3), pp. 146803. Date of Electronic Publication: 2025 Oct 26.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Flavonoids*/chemistry , Flavonoids*/metabolism , Serum Albumin, Human*/chemistry , Serum Albumin*/chemistry , Serum Albumin*/metabolism, Humans ; Molecular Dynamics Simulation ; Protein Binding ; Binding Sites ; Molecular Docking Simulation ; Thermodynamics ; Circular Dichroism ; Molecular Structure ; Spectrometry, Fluorescence ; Hydrogen Bonding

Synthesis and Properties of 5,7-dimethylated anthocyanins: Focusing on peonidin-3-O-glucoside and petunidin-3-O-glucoside.

Autoři: Hu J Wu G Zhan X a další

Zdroj: Food chemistry [Food Chem] 2025 Dec 25; Vol. 496 (Pt 1), pp. 146587. Date of Electronic Publication: 2025 Oct 06.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Anthocyanins*/chemistry , Anthocyanins*/chemical synthesis , Glucosides*/chemistry , Glucosides*/chemical synthesis, Methylation ; Solubility ; Molecular Structure ; Antioxidants/chemistry ; Antioxidants/chemical synthesis ; Hydrophobic and Hydrophilic Interactions

Synthesis and characterization of coumarin-quinoline based NIR probes for viscosity: Mitochondria-Targeted probe with superior performance in autophagy and liver injury imaging.

Autoři: Sun L Zhang W Li C a další

Zdroj: Analytica chimica acta [Anal Chim Acta] 2025 Dec 22; Vol. 1380, pp. 344782. Date of Electronic Publication: 2025 Oct 15.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 0370534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4324 (Electronic) Linking ISSN: 00032670 NLM ISO Abbreviation: Anal Chim Acta Subsets: MEDLINE

Výrazy ze slovníku MeSH: Coumarins*/chemistry , Coumarins*/chemical synthesis , Fluorescent Dyes*/chemistry , Fluorescent Dyes*/chemical synthesis , Mitochondria*/metabolism , Mitochondria*/chemistry , Quinolines*/chemistry , Quinolines*/chemical synthesis , Autophagy* , Optical Imaging* , Chemical and Drug Induced Liver Injury*/diagnostic imaging, Animals ; Viscosity ; Mice ; Humans ; Infrared Rays ; Molecular Structure

Identification of new coumarin-cinnamic acid hybrid FtsZ inhibitors as potential bactericides for enhancing the yield and quality of rice.

Autoři: Zhang L Ma SY Chen W a další

Zdroj: Food chemistry [Food Chem] 2025 Dec 15; Vol. 495 (Pt 3), pp. 146505. Date of Electronic Publication: 2025 Sep 23.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Oryza*/microbiology , Oryza*/growth & development , Oryza*/chemistry , Oryza*/drug effects , Bacterial Proteins*/antagonists & inhibitors , Bacterial Proteins*/chemistry , Bacterial Proteins*/metabolism , Bacterial Proteins*/genetics , Anti-Bacterial Agents*/pharmacology , Anti-Bacterial Agents*/chemistry , Coumarins*/chemistry , Coumarins*/pharmacology , Cinnamates*/chemistry , Cinnamates*/pharmacology, Xanthomonas/drug effects ; Plant Diseases/microbiology ; Plant Diseases/prevention & control ; Seeds/growth & development ; Seeds/microbiology ; Seeds/drug effects ; Seeds/chemistry ; Molecular Structure ; Cytoskeletal Proteins

SCR Organism: Xanthomonas oryzae

DoLPHiN: a proposed architecture and technical implementation of a database of structural and functional properties of natural polysaccharides with health benefits.

Autoři: Xin Y Cao Y Yang S a další

Zdroj: Food chemistry [Food Chem] 2025 Dec 15; Vol. 495 (Pt 3), pp. 146534. Date of Electronic Publication: 2025 Sep 29.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Polysaccharides*/chemistry , Polysaccharides*/pharmacology , Biological Products*/chemistry , Biological Products*/pharmacology , Databases, Factual*, Animals ; Humans ; Molecular Weight ; Structure-Activity Relationship ; Antioxidants/chemistry ; Molecular Structure

18β-glycyrrhetinic acid-amantadine hybrid: Synthesis and anti-EMCV activity via NF-κB modulation.

Autoři: Xue W Zhang T Wen Y a další

Zdroj: Bioorganic & medicinal chemistry [Bioorg Med Chem] 2025 Dec 15; Vol. 131, pp. 118431. Date of Electronic Publication: 2025 Oct 03.

Způsob vydávání: Journal Article

Informace o časopise: Publisher: Elsevier Science Country of Publication: England NLM ID: 9413298 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3391 (Electronic) Linking ISSN: 09680896 NLM ISO Abbreviation: Bioorg Med Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Glycyrrhetinic Acid*/chemistry , Glycyrrhetinic Acid*/pharmacology , Glycyrrhetinic Acid*/analogs & derivatives , Glycyrrhetinic Acid*/chemical synthesis , Antiviral Agents*/pharmacology , Antiviral Agents*/chemical synthesis , Antiviral Agents*/chemistry , NF-kappa B*/metabolism , NF-kappa B*/antagonists & inhibitors , Encephalomyocarditis virus*/drug effects , Amantadine*/chemistry , Amantadine*/pharmacology , Amantadine*/chemical synthesis, Humans ; Animals ; Mice ; HEK293 Cells ; Structure-Activity Relationship ; Molecular Structure ; Dose-Response Relationship, Drug ; Microbial Sensitivity Tests

Drugging the undruggable: Chemical and biological insights into molecular glues in the pipeline.

Autoři: Metwally K Yahya G Abo-Dya NE

Zdroj: European journal of medicinal chemistry [Eur J Med Chem] 2025 Dec 15; Vol. 300, pp. 118132. Date of Electronic Publication: 2025 Sep 09.

Způsob vydávání: Journal Article; Review

Informace o časopise: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

Výrazy ze slovníku MeSH: Drug Discovery* , Proteins*/antagonists & inhibitors , Proteins*/metabolism , Proteins*/chemistry , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology, Humans ; Molecular Structure ; Thalidomide/chemistry ; Thalidomide/pharmacology ; Animals