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

Authors: Zalte AS; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States., Pang HW; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States., Doner AC; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States., Green WH; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States.

Source: 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.

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: Machine Learning* , Molecular Structure*, Neural Networks, Computer

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

Authors: Zhang, Yuanhao¹, Hall, Lisa M.¹ hall.1004@osu.edu

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

Subject Terms: *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.

Authors: Li, Xiaolong^1,2, Lv, Wenqi¹, Grabow, Jens-Uwe³ jens-uwe.grabow@pci.uni-hannover.de, Feng, Gang¹ jens-uwe.grabow@pci.uni-hannover.de

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

Subject Terms: *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.

Authors: Ait Elmachkouri Y; Laboratory of Organic and physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibnou Zohr University, Agadir, Morocco. Electronic address: younesse.aitelmachkouri@edu.uiz.ac.ma., Rajesh R; Department of Physics, Vel Tech High Tech Dr.Rangarajan Dr.Sakunthala Engineering College, Avadi, Chennai, Tamil Nadu 600 062, India., Altharawi A; Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Frit A AP; Department of Physics, Vel Tech High Tech Dr.Rangarajan Dr.Sakunthala Engineering College, Avadi, Chennai, Tamil Nadu 600 062, India., Alossaimi MA; Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Riadi Y; Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Aldakhil T; Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia., Taha ML; Laboratory of Organic and physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibnou Zohr University, Agadir, Morocco., Haggam RA; Department of Chemistry, Faculty of Science, Islamic University of Madinah, Madinah 42351, Saudi Arabia; Department of Chemistry, Faculty of Science, Zagazig University, Zagazig, 44519, Egypt. Electronic address: relhaggan@iu.edu.sa.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Liu Y; Guangdong Provincial Key Laboratory of Food Quality and Safety, College of Food Science, South China Agricultural University, Guangzhou, Guangdong 510642, China., Nong Z; Guangdong Provincial Key Laboratory of Food Quality and Safety, College of Food Science, South China Agricultural University, Guangzhou, Guangdong 510642, China., Li M; Guangdong Provincial Key Laboratory of Food Quality and Safety, College of Food Science, South China Agricultural University, Guangzhou, Guangdong 510642, China., Chen P; Guangdong Provincial Key Laboratory of Food Quality and Safety, College of Food Science, South China Agricultural University, Guangzhou, Guangdong 510642, China., Huang W; Guangdong Provincial Key Laboratory of Food Quality and Safety, College of Food Science, South China Agricultural University, Guangzhou, Guangdong 510642, China. Electronic address: weijuanhuang@scau.edu.cn.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Han L; Collaborative Innovation Center for Food Production and Safety, College of Biological Science and Engineering, North Minzu University, Yinchuan, Ningxia, China., Fu W; Collaborative Innovation Center for Food Production and Safety, College of Biological Science and Engineering, North Minzu University, Yinchuan, Ningxia, China., Wang Y; Collaborative Innovation Center for Food Production and Safety, College of Biological Science and Engineering, North Minzu University, Yinchuan, Ningxia, China., Yang X; Collaborative Innovation Center for Food Production and Safety, College of Biological Science and Engineering, North Minzu University, Yinchuan, Ningxia, China., Li J; Collaborative Innovation Center for Food Production and Safety, College of Biological Science and Engineering, North Minzu University, Yinchuan, Ningxia, China., Yang X; Collaborative Innovation Center for Food Production and Safety, College of Biological Science and Engineering, North Minzu University, Yinchuan, Ningxia, China., Wang Y; Collaborative Innovation Center for Food Production and Safety, College of Biological Science and Engineering, North Minzu University, Yinchuan, Ningxia, China.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Ibrahim H; Department of Chemistry, Durban University of Technology, P.O Box 1334, Durban, 4000, South Africa., Bala MD; School of Chemistry and Physics, University of KwaZulu Natal, Private Bag X54001, Durban, 4000, South Africa. Electronic address: bala@ukzn.ac.za., Ntola P; Department of Chemistry, Durban University of Technology, P.O Box 1334, Durban, 4000, South Africa.

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

Publication Type: Journal Article; Review

Journal Info: 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

MeSH Terms: 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.

Authors: Li M; College of Food Sciences & Technology, Shanghai Ocean University, Shanghai, China., Jiang X; College of Food Sciences & Technology, Shanghai Ocean University, Shanghai, China., Zhang Y; College of Food Sciences & Technology, Shanghai Ocean University, Shanghai, China., Zhang X; School of Food Science, Henan Institute of Science and Technology, Xinxiang, China., Ma J; College of Food Sciences & Technology, Shanghai Ocean University, Shanghai, China., Gu Y; Dandong Yuanyi Seafood Finishing Products Co. Ltd, Dandong, China., Song X; Dandong Yuanyi Seafood Finishing Products Co. Ltd, Dandong, China., Shi W; College of Food Sciences & Technology, Shanghai Ocean University, Shanghai, China.

Source: 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.

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.).

Authors: Liu L; School of Agriculture and Biotechnology, Shenzhen Campus of Sun Yat-sen University, No. 66, Gongchang Road, Guangming District, Shenzhen, Guangdong 518107, PR China; School of Public Health (Shenzhen), Sun Yat-sen University, Shenzhen 518107, China., Lin Z; School of Agriculture and Biotechnology, Shenzhen Campus of Sun Yat-sen University, No. 66, Gongchang Road, Guangming District, Shenzhen, Guangdong 518107, PR China; School of Public Health (Shenzhen), Sun Yat-sen University, Shenzhen 518107, China., Cai X; School of Agriculture and Biotechnology, Shenzhen Campus of Sun Yat-sen University, No. 66, Gongchang Road, Guangming District, Shenzhen, Guangdong 518107, PR China; School of Public Health (Shenzhen), Sun Yat-sen University, Shenzhen 518107, China., Zhang Y; Key Laboratory of Flavor Science of China General Chamber of Commerce, Beijing Technology and Business University, 100048, China. Electronic address: zhangyuyu@btbu.edu.cn., Yang Y; School of Public Health (Shenzhen), Sun Yat-sen University, Shenzhen 518107, China; Guangdong Engineering Technology Research Center of Nutrition Transformation, Sun Yat-sen University, Shenzhen 518107, China., Yang C; School of Public Health (Shenzhen), Sun Yat-sen University, Shenzhen 518107, China; Guangdong Engineering Technology Research Center of Nutrition Transformation, Sun Yat-sen University, Shenzhen 518107, China., Liang D; School of Agriculture and Biotechnology, Shenzhen Campus of Sun Yat-sen University, No. 66, Gongchang Road, Guangming District, Shenzhen, Guangdong 518107, PR China; Guangdong Engineering Technology Research Center of Nutrition Transformation, Sun Yat-sen University, Shenzhen 518107, China. Electronic address: liangd53@mail.sysu.edu.cn.

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

Publication Type: Journal Article; Review

Journal Info: 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

MeSH Terms: 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.

Authors: Sun L; College of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China., Fang Z; College of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China., Zhou J; College of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China., Yang H; College of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China., Muzaffar H; College of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China., Zheng J; College of Food Science and Engineering, South China University of Technology, Guangzhou 510640, China. Electronic address: fejxzhen@scut.edu.cn., Zhou Z; Key Laboratory for Processing and Quality Safety of Agricultural Products, Shihezi University, Shihezi 832003, China; Gulbali Institute-Agriculture Water Environment, Charles Sturt University, Wagga Wagga, NSW 2678, Australia.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Zhong P; College of Food Science and Engineering, Central South University of Forestry and Technology, Changsha 410004, PR China. Electronic address: 20210100076@csuft.edu.cn., Bi L; College of Food Science and Engineering, Central South University of Forestry and Technology, Changsha 410004, PR China. Electronic address: 20231100481@csuft.edu.cn., Chang S; College of Food Science and Engineering, Central South University of Forestry and Technology, Changsha 410004, PR China. Electronic address: 20220100085@csuft.edu.cn., He Y; Hunan Provincial Institute of Product and Goods Quality Inspection, Changsha 410007, PR China. Electronic address: nancyhe830@163.com., Qi C; College of Food Science and Engineering, Central South University of Forestry and Technology, Changsha 410004, PR China. Electronic address: chuchuqi0921@163.com., Deng H; Hunan Provincial Institute of Product and Goods Quality Inspection, Changsha 410007, PR China. Electronic address: 15580827477@163.com., Li P; College of Food Science and Engineering, Central South University of Forestry and Technology, Changsha 410004, PR China. Electronic address: lpx1234560515@163.com., Yi S; Hunan Province Chest Hospital, Changsha 410205, PR China. Electronic address: 361066970@qq.com., Li W; College of Food Science and Engineering, Central South University of Forestry and Technology, Changsha 410004, PR China. Electronic address: wli@hnu.edu.cn., Ren J; College of Food Science and Engineering, Central South University of Forestry and Technology, Changsha 410004, PR China. Electronic address: t20091483@csuft.edu.cn.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Liu H; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China., Xin M; Hubei Province Key Laboratory of Biotechnology of Chinese Traditional Medicine, College of Health Science and Engineering, Hubei University, Wuhan 430062, China., Liu H; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China., Luo L; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China., Chen L; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China. Electronic address: chenlei@apm.ac.cn., Sun L; Hubei Province Key Laboratory of Biotechnology of Chinese Traditional Medicine, College of Health Science and Engineering, Hubei University, Wuhan 430062, China. Electronic address: lijuansun1212@163.com., Zhang X; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China.

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

Publication Type: Journal Article; Evaluation Study

Journal Info: 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

MeSH Terms: 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.

Authors: Lin C; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China; School of Ecological and Environmental Engineering, Qinghai University, Xining 810016, China., Luo J; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China., Wang S; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China., Shen C; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China., Zhang S; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China; School of Ecological and Environmental Engineering, Qinghai University, Xining 810016, China., Song Z; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China., Ma Y; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China., Liu Y; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China., Li Y; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China. Electronic address: liyulin@nwipb.cas.cn., Chen T; Northwest Institute of Plateau Biology Chinese Academy of Sciences, Xining 810008, China. Electronic address: chentao@nwipb.cas.cn.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Zhao Z; School of Chemical Engineering, Sichuan University, Chengdu 610065, Sichuan, China., Fang X; School of Chemical Engineering, Sichuan University, Chengdu 610065, Sichuan, China., Gao Y; School of Chemical Engineering, Sichuan University, Chengdu 610065, Sichuan, China., Sun Q; School of Chemical Engineering, Sichuan University, Chengdu 610065, Sichuan, China. Electronic address: qiaomeisun@163.com.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Hu J; School of Chemical Engineering and Light Industry, Guangdong Provincial Key Laboratory of Plant Resources Biorefinery, Guangdong University of Technology, Guangzhou 510632, China; Department of Food Science and Engineering, Institute of Food Safety and Nutrition, Guangdong Engineering Technology Center of Food Safety Molecular Rapid Detection, Jinan University, Guangzhou 510632, China., Wu G; Department of Food Science and Engineering, Institute of Food Safety and Nutrition, Guangdong Engineering Technology Center of Food Safety Molecular Rapid Detection, Jinan University, Guangzhou 510632, China., Zhan X; School of Chemical Engineering and Light Industry, Guangdong Provincial Key Laboratory of Plant Resources Biorefinery, Guangdong University of Technology, Guangzhou 510632, China., Zhao Z; Department of Food Science and Engineering, Institute of Food Safety and Nutrition, Guangdong Engineering Technology Center of Food Safety Molecular Rapid Detection, Jinan University, Guangzhou 510632, China., Sun J; School of Chemical Engineering and Light Industry, Guangdong Provincial Key Laboratory of Plant Resources Biorefinery, Guangdong University of Technology, Guangzhou 510632, China; Guangdong Provincial Laboratory of Chemistry and Fine Chemical Engineering Jieyang Center, Jieyang 515200, China. Electronic address: jxsun1220@163.com., Bai W; Department of Food Science and Engineering, Institute of Food Safety and Nutrition, Guangdong Engineering Technology Center of Food Safety Molecular Rapid Detection, Jinan University, Guangzhou 510632, China. Electronic address: baiweibin@163.com.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Sun L; Jiangsu Co-innovation Center of Efficient Processing and Utilization of Forest Resources, College of Chemical Engineering, Nanjing Forestry University, Nanjing, 210037, P.R. China., Zhang W; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of TCM Evaluation and Translational Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, 211198, P.R. China., Li C; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of TCM Evaluation and Translational Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, 211198, P.R. China., Tian J; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of TCM Evaluation and Translational Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, 211198, P.R. China. Electronic address: jwtian@cpu.edu.cn., Li J; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of TCM Evaluation and Translational Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, 211198, P.R. China. Electronic address: jiweili@cpu.edu.cn., Xu H; Jiangsu Co-innovation Center of Efficient Processing and Utilization of Forest Resources, College of Chemical Engineering, Nanjing Forestry University, Nanjing, 210037, P.R. China. Electronic address: xuhaijun@njfu.edu.cn.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Zhang L; State Key Laboratory of Green Pesticides; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, 550025, China., Ma SY; State Key Laboratory of Green Pesticides; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, 550025, China., Chen W; State Key Laboratory of Green Pesticides; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, 550025, China., Yang LL; State Key Laboratory of Green Pesticides; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, 550025, China., Ding Y; State Key Laboratory of Green Pesticides; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, 550025, China., Zhou X; State Key Laboratory of Green Pesticides; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, 550025, China. Electronic address: xiangzhou@gzu.edu.cn., Liu LW; State Key Laboratory of Green Pesticides; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, 550025, China., Wu ZB; State Key Laboratory of Green Pesticides; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, 550025, China., Yang S; State Key Laboratory of Green Pesticides; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, 550025, China. Electronic address: syang@gzu.edu.cn.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Xin Y; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Cao Y; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Yang S; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Hu J; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Tian M; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Dai J; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Shi J; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Yu B; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Gu N; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Hu X; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China., Zhu R; Department of Integrated Chinese and Western Medicine, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, China. Electronic address: zhurui19830108@163.com., Duan Q; Department of Integrated Chinese and Western Medicine, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, China. Electronic address: 540740962@qq.com., Tian Y; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China. Electronic address: tianyu@whpu.edu.cn., Wang H; School of Life Science and Technology, Wuhan Polytechnic University, Wuhan, China. Electronic address: wanghualin@whpu.edu.cn.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Xue W; Gansu University of Chinese Medicine, Lanzhou, China; Research Center of Traditional Chinese Medicine, Lanzhou, China., Zhang T; Gansu University of Chinese Medicine, Lanzhou, China., Wen Y; Key Laboratory of Biotechnology and Bioengineering of State Ethnic Affairs Commission, Biomedical Research Center, Northwest Minzu University, Lanzhou, China; School of Life Sciences and Engineering, Northwest Minzu University, Lanzhou, China., Zhang Y; Gansu University of Chinese Medicine, Lanzhou, China; Research Center of Traditional Chinese Medicine, Lanzhou, China., Hou J; Gansu University of Chinese Medicine, Lanzhou, China., Zhao J; Gansu University of Chinese Medicine, Lanzhou, China., Feng R; Key Laboratory of Biotechnology and Bioengineering of State Ethnic Affairs Commission, Biomedical Research Center, Northwest Minzu University, Lanzhou, China; School of Life Sciences and Engineering, Northwest Minzu University, Lanzhou, China. Electronic address: fengruofei@xbmu.edu.cn., Tan C; Gansu University of Chinese Medicine, Lanzhou, China; Research Center of Traditional Chinese Medicine, Lanzhou, China. Electronic address: tancx@sina.com.

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

Publication Type: Journal Article

Journal Info: 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

MeSH Terms: 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.

Authors: Metwally K; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Tabuk, Tabuk, 71491, Saudi Arabia. Electronic address: kametwally@ut.edu.sa., Yahya G; Department of Microbiology and Immunology, Faculty of Pharmacy, Zagazig University, Zagazig, 44519, Egypt; Molecular Biology Institute of Barcelona (IBMB), CSIC, Barcelona, Spain., Abo-Dya NE; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Tabuk, Tabuk, 71491, Saudi Arabia.

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

Publication Type: Journal Article; Review

Journal Info: 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

MeSH Terms: 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