Vietnam Journal of Chemistry最新文献

Total synthesis and cytotoxic evaluation of 6‐C‐prenylated flavones against MCF‐7 cells 6 - C -丙烯化黄酮对MCF - 7细胞的总合成及细胞毒性评价

Vietnam Journal of Chemistry Pub Date : 2025-12-28 DOI: 10.1002/vjch.70109

Tran Trong Binh, Nguyen Thi Thuy Luyen, Le Thi Hoa, Nguyen Khanh Hung, Nguyen Phi Linh, Cao Nhu Anh, Le Thi Phuong, Tran Le Quan, Nguyen Huy Du

引用次数: 0

Synthesis of Cu ₂ O‐loaded perlite granules as floating catalysts for the rapid reduction of 4‐nitroaniline 负载cu2o -珍珠岩颗粒快速还原4 -硝基苯胺漂浮催化剂的合成

Vietnam Journal of Chemistry Pub Date : 2025-11-21 DOI: 10.1002/vjch.70093

Ngoc Tran, Thien An Le, An Nang Vu, Quoc Thiet Nguyen, Pei Yuin Keng, Tiến Khoa Lê, Tien Khoa Le, Tien Khoa Le

引用次数: 0

Improving impact strength and fracture toughness of epoxy resin through oligoester—A byproduct derived from the unsaturated polyester resin manufacturing process 利用不饱和聚酯树脂生产工艺的副产物低聚酯提高环氧树脂的冲击强度和断裂韧性

Vietnam Journal of Chemistry Pub Date : 2024-11-21 DOI: 10.1002/vjch.202400247

Anh‐Tuan Pham, Pierre–Alain Duc, Ha Thi Ha, Mai Quan Doan, Dieu Vinh Tran

{"title":"Improving impact strength and fracture toughness of epoxy resin through oligoester—A byproduct derived from the unsaturated polyester resin manufacturing process","authors":"Anh‐Tuan Pham, Pierre–Alain Duc, Ha Thi Ha, Mai Quan Doan, Dieu Vinh Tran","doi":"10.1002/vjch.202400247","DOIUrl":"https://doi.org/10.1002/vjch.202400247","url":null,"abstract":"Abstract Epoxy resin, a pivotal polymer with extensive applications, is hampered by inherent inflexibility and brittleness, limiting its potential in scenarios demanding resilience against external forces. This study addresses this limitation by introducing an innovative modification through the integration of epoxy‐oligoester (EOS), derived as a byproduct of unsaturated polyester resin synthesis. EOS, with an epoxy group content of 7.5% and an acid value of 0.25 mg KOH/g, functions as an effective internal toughening agent for epoxy resin. At 15 wt%, EOS significantly augments impact strength (67.7%) and fracture toughness (92.1%), achieved by reducing network density from 0.792 × 10 −3 to 0.678 × 10 −3 mol cm −3 , resulting in lower storage modulus ( E ′) and glass transition temperature. Additionally, the addition of 15 wt% EOS retards delamination and amplifies delamination energy. Mode I critical strain energy release rate (GIC) increases by 51.2%, from 608.1 to 911.5 J/m 2 , and Mode II critical strain energy release rate (GIP) rises by 51.7%, from 664.0 to 1007.6 J/m 2 . These findings underscore the promise of EOS‐modified epoxy in industries necessitating materials with elevated fracture toughness and superior resistance to delamination, such as transportation, maritime, and automotive sectors.","PeriodicalId":23525,"journal":{"name":"Vietnam Journal of Chemistry","volume":"63 2","pages":"338-347"},"PeriodicalIF":0.0,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/vjch.202400247","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147331493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Flavonoids as potential agents for development of multi‐target drugs for covid‐19 treatment: An in silico study 黄酮类化合物作为开发治疗covid - 19多靶点药物的潜在药物:一项计算机研究

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Vietnam Journal of Chemistry Pub Date : 2022-06-01 DOI: 10.1002/vjch.202100108

Nguyễn Thị Thu Hằng, N. Van Phuong

引用次数: 2

An in silico study on inhibitability of Baloxavir marboxil, Baricitinib, Galidesivir, Nitazoxanide, and Oseltamivir against SARS‐CoV‐2 Baloxavir marboxil、Baricitinib、Galidesivir、Nitazoxanide和Oseltamivir对SARS - CoV - 2的抑制作用的计算机实验研究

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Vietnam Journal of Chemistry Pub Date : 2022-05-17 DOI: 10.1002/vjch.202100145

Thanh Q. Bui, Nguyen Thi Thanh Hai, Tran Thi Ai My, Nguyen Ho Vu Phong, N. Nhan, P. Quy, N. D. Nguyen, N. Nhung

{"title":"An in silico study on inhibitability of Baloxavir marboxil, Baricitinib, Galidesivir, Nitazoxanide, and Oseltamivir against SARS‐CoV‐2","authors":"Thanh Q. Bui, Nguyen Thi Thanh Hai, Tran Thi Ai My, Nguyen Ho Vu Phong, N. Nhan, P. Quy, N. D. Nguyen, N. Nhung","doi":"10.1002/vjch.202100145","DOIUrl":"https://doi.org/10.1002/vjch.202100145","url":null,"abstract":"Abstract Baloxavir marboxil (D1), Baricitinib (D2), Galidesivir (D3), Nitazoxanide (D4), and Oseltamivir (D5) are well‐known performing broad‐spectrum activity against a variety of viruses, thus holding high potentiality towards SARS‐CoV‐2. Quantum properties were examined using density functional theory (DFT). The inhibitability of the drugs towards Angiotensin‐converting enzyme 2 (ACE2) and SARS‐CoV‐2 main protease (6LU7) was evaluated by molecular docking simulation, while their bio‐compatibility was justified by physicochemical properties obtained from QSARIS‐based analysis in reference to Lipinski's rule of five. Quantum analysis suggests that the compounds are highly favourable for intermolecular interaction towards protein structures. Given ligand‐ACE2 systems, the inhibitory effectiveness follows the order D3‐ACE2 > D4‐ACE2 > D2‐ACE2 > D5‐ACE2 > D1‐ACE2; and the corresponding order for ligand‐6LU7 systems is D2‐6LU7 > D4‐6LU7 > D3‐6LU7 > D5‐6LU7 > D1‐6LU7. Galidesivir is predicted as the most effective inhibitor towards both targeted protein structures (DSaverage ‐13.1 kcal.mol‐1) and the most bio‐compatible molecule (Mass 264.9 amu; LogP ‐0.9; Polarisability 26.8 Å3). The theoretical screening suggests all drugs, especially Galidesivir (D3), promising for treatment of SARS‐CoV‐2 infection and encourages in‐related clinical trials.","PeriodicalId":23525,"journal":{"name":"Vietnam Journal of Chemistry","volume":"73 1","pages":"333 - 345"},"PeriodicalIF":0.9,"publicationDate":"2022-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85817632","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theoretical study on inhibitability of some natural alkaloids against influenza virus hemagglutinin and SARS‐CoV‐2 main protease 几种天然生物碱对流感病毒血凝素和SARS - CoV - 2主要蛋白酶抑制作用的理论研究

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Vietnam Journal of Chemistry Pub Date : 2022-05-17 DOI: 10.1002/vjch.202100175

Thanh Q. Bui, Nguyen Thi Thanh Hai, Tran Van Chen, P. Quy, Ly Nguyen Hai Du, T. Cuong, Nguyen Thanh Triet, Nguyen Thi Thu Thuy, N. Nhung

{"title":"Theoretical study on inhibitability of some natural alkaloids against influenza virus hemagglutinin and SARS‐CoV‐2 main protease","authors":"Thanh Q. Bui, Nguyen Thi Thanh Hai, Tran Van Chen, P. Quy, Ly Nguyen Hai Du, T. Cuong, Nguyen Thanh Triet, Nguyen Thi Thu Thuy, N. Nhung","doi":"10.1002/vjch.202100175","DOIUrl":"https://doi.org/10.1002/vjch.202100175","url":null,"abstract":"Abstract Berberine (V1), lycorine (V2), hemanthamine (V3), aloperin (V4), dendrobine (V5) possess structural frameworks resembling known anti‐influenza and anti‐SARS‐CoV‐2 drugs, thus subjected for a computational screening. Their quantum properties were examined using density functional theory (DFT); the ligand‐protein inhibitability was evaluated using molecular docking simulation; physicochemical properties were obtained from QSARIS‐based analysis in reference to Lipinski's rule of five; pharmacokinetic parameters were assessed by ADMET‐based analysis. DFT calculations indicate that there are no abnormal bonding constraints observed; NBO analysis suggests all possessing favorable electric configurations for intermolecular inhibition. Regarding ligand‐2VIU, the order for static inhibitability is V3‐2VIU > V2‐2VIU > V1‐2VIU > V5‐2VIU > V4‐2VIU; Regarding ligand‐6LU7, the corresponding order follows: V2‐6LU7 > V3‐6LU7 > V1‐6LU7 > V5‐6LU7 > V4‐6LU7. An exceptional hydrophilic bonding (π‐cation) with the associated Gibbs free energy of ‐10.9 kcal.mol‐1 is detected in inhibitory complex V1‐2VIU. QSARIS‐based analysis reveals that all the candidates are highly bio‐compatible. ADMET‐based analysis specifies V2 and V3 as being safe and suitable for the use as orally administrated drugs. The results encourage further investigations for more in‐depth mechanisms and experimental validations, such as molecular dynamics simulation and in vitro enzyme assays.","PeriodicalId":23525,"journal":{"name":"Vietnam Journal of Chemistry","volume":"9 1","pages":"502 - 517"},"PeriodicalIF":0.9,"publicationDate":"2022-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90137613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

In silico screening of natural antivirals as potential inhibitors of SARS‐CoV‐2 virus 天然抗病毒药物作为SARS - CoV - 2病毒潜在抑制剂的计算机筛选

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Vietnam Journal of Chemistry Pub Date : 2022-04-01 DOI: 10.1002/vjch.202100187

T. Hằng, Do Thi Hong Khanh, B. Tùng

{"title":"In silico screening of natural antivirals as potential inhibitors of SARS‐CoV‐2 virus","authors":"T. Hằng, Do Thi Hong Khanh, B. Tùng","doi":"10.1002/vjch.202100187","DOIUrl":"https://doi.org/10.1002/vjch.202100187","url":null,"abstract":"Abstract Coronavirus infectious disease 2019 (COVID‐19) is an infectious disease of the human respiratory tract caused by the SARS‐CoV‐2 virus. Spike protein is a class I glycoprotein trimeric TM involved in viral entry and infection. Four major targets to inhibit the SARS‐CoV‐2 virus are spike protein, angiotensin‐converting enzyme 2 (ACE2), main protease and the enzyme RNA‐dependent RNA polymerase (RdRp). In this study, we evaluated the inhibitory potential of natural antiviral compounds against spike protein, ACE2, main protease, RdRp targets by molecular docking and molecular dynamics simulations. Lipinski Rule of Five was used to evaluate the drug‐like properties of these compounds. The pkCSM tool was used to assess the pharmacokinetic parameters of prospective substances. Based on the ChemFaces database, we have collected 273 natural antiviral compounds. The results showed that the 7/273 compounds with the most potential to inhibit SARS‐CoV‐2 were: hinokiflavone, sotetsuflavone, mulberroside C, daphnoretin, morellic acid, digitoxin, and hypericin. Among them, sotetsuflavone is the most potent compound that inhibits four targets, with drug‐like properties, good intestinal absorption, and low toxicity. The molecular dynamics simulation results of the complexes are also relatively stable. As a results, in vitro and in vivo test should be carried out to verify the potential for COVID‐19 treatment of this compound.","PeriodicalId":23525,"journal":{"name":"Vietnam Journal of Chemistry","volume":"6 1","pages":"211 - 222"},"PeriodicalIF":0.9,"publicationDate":"2022-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84443870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Cytotoxic and antimicrobial benzodiazepine and phenolic metabolites from Aspergillus ostianus IMBC-NMTP03 ostianus Aspergillus IMBC-NMTP03的细胞毒性和抗菌苯二氮卓和酚类代谢物

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Vietnam Journal of Chemistry Pub Date : 2021-10-01 DOI: 10.1002/VJCH.202100032

T. Quang, Le Ngoc Anh, T. H. Hanh, N. X. Cuong, N. Ngan, N. Q. Trung, N. H. Nam

引用次数: 1

Mg2+ embedded MIL-101(Cr)-NH2 framework for improved CO2 adsorption and CO2/N2 selectivity Mg2+包埋MIL-101(Cr)-NH2框架改善CO2吸附和CO2/N2选择性

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Vietnam Journal of Chemistry Pub Date : 2021-10-01 DOI: 10.1002/VJCH.202100035

Duong Tuan Quang

引用次数: 2

Spectroscopic (FTIR and UV), quantum Chemical, antifungal and antioxidant investigations of (E)-7-(4-(trifluoromethyl)benzylidene)-1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-one: A combined experimental and theoretical study (E)-7-(4-(三氟甲基)苄基)-1,2,6,7-四氢- 8h -吲哚[5,4-b]呋喃-8-酮的光谱(FTIR和UV)、量子化学、抗真菌和抗氧化研究:实验和理论相结合的研究

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Vietnam Journal of Chemistry Pub Date : 2021-10-01 DOI: 10.1002/VJCH.202100034

V. A. Adole, R. More, R. Shinde, Sunil L. Dhonnar, Bapusonu Jagdale, S. Shinde, A. V. Patil, T. B. Pawar

引用次数: 1