Search Results - "Tat, Pham Van"

A density functional theory study on silver and bis-silver complexes with lighter tetrylene: are silver and bis-silver carbenes candidates for SARS-CoV-2 inhibition? Insight from molecular docking simulation by Bui, Thanh Q, Phuong Loan, Huynh Thi, Ai My, Tran Thi, Quang, Duong Tuan, Phuong Thuy, Bui Thi, Nhan, Vo Duy, Quy, Phan Tu, Van Tat, Pham, Dao, Duy Quang, Trung, Nguyen Tien, Huynh, Lam K, Ai Nhung, Nguyen Thi

“…Ribavirin and remdesivir have been preclinically reported as potential drugs for the treatment of SARS-CoV-2 infection, while light silver tetrylene complexes…”
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Synthesis, Docking Study, Cytotoxicity, Antioxidant, and Anti-microbial Activities of Novel 2,4-Disubstituted Thiazoles Based on Phenothiazine by An, Tran Nguyen Minh, Phuong, Pham Thai, Quang, Nguyen Minh, Son, Nguyen Van, Cuong, Nguyen Van, Tan, Le Van, Tri, Mai Dinh, Alam, Mahboob, Tat, Pham Van

“…A series of novel 1,3-thiazole derivatives (5a-i) with a modified phenothiazine moiety were synthesized and tested against cancer cell line MCF-7 for their…”
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In-Depth Investigation of a Donor–Acceptor Interaction on the Heavy-Group-14@Group-13-Diyls in Transition-Metal Tetrylone Complexes: Structure, Bonding, and Property by Loan, Huynh Thi Phuong, Bui, Thanh Q, My, Tran Thi Ai, Hai, Nguyen Thi Thanh, Quang, Duong Tuan, Tat, Pham Van, Hiep, Dang Tan, Trung, Nguyen Tien, Quy, Phan Tu, Nhung, Nguyen Thi Ai

“…Stabilization for tetrylone complexes, which carry ylidone(0) ligands [(CO)5W-X (YCp*)2] (X = Ge, Sn, Pb; Y = B–Tl), has become an active theoretical research…”
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The performance of classification and forecasting Dong Nai River water quality for sustainable water resources management using neural network techniques by Hien Than, Nguyen, Dinh Ly, Che, Van Tat, Pham

“…•The chemometric methods were used to screen out unreliable data.•The FFNN model I(8)-HL(9)-O(1) has been developed to classify the water quality .•The LSTM-MA…”
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Calculation of thermodynamic properties of vapor-liquid equilibria using ab initio intermolecular potential energy surfaces for dimer O2-O2 by Ai Nhung, Nguyen Thi, Tat, Pham Van

“…The two 5-site potentials from ab initio calculations at the theoretical level CCSD(T) with correlation consistent basis sets aug-cc-pVmZ (with m = 4, 34) have…”
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Investigation into SARS-CoV‑2 Resistance of Compounds in Garlic Essential Oil by Thuy, Bui Thi Phuong, My, Tran Thi Ai, Hai, Nguyen Thi Thanh, Hieu, Le Trung, Hoa, Tran Thai, Thi Phuong Loan, Huynh, Triet, Nguyen Thanh, Anh, Tran Thi Van, Quy, Phan Tu, Tat, Pham Van, Hue, Nguyen Van, Quang, Duong Tuan, Trung, Nguyen Tien, Tung, Vo Thanh, Huynh, Lam K, Nhung, Nguyen Thi Ai

“…Eighteen active substances, including 17 organosulfur compounds found in garlic essential oil (T), were identified by GC–MS analysis. For the first time, using…”
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Calculation of intermolecular potentials for H 2 H 2 and H 2 O 2 dimers ab initio and prediction of second virial coefficients by Pham Van, Tat, Deiters, Ulrich K.

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Novel QSPR modeling of stability constants of metal-thiosemicarbazone complexes by hybrid multivariate technique: GA-MLR, GA-SVR and GA-ANN by Quang, Nguyen Minh, Mau, Tran Xuan, Ai Nhung, Nguyen Thi, Minh An, Tran Nguyen, Van Tat, Pham

“…The quantitative structural property relationship (QSPR) models of the logβ11 stability constants of M:L complexes of the structurally diverse…”
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Design, virtual screening and in silico QSPR modeling for the development of new thiosemicarbazone‐based complexes by Quang, Nguyen Minh, Chau, Huynh Ngoc, Hoa, Tran Thai, Ngoc, Vu Thi Bao, Van Tat, Pham

“…Eighteen new thiosemicarbazone ligands and 30 new ligand‐based complexes were developed from quantitative structure‐property relationships (QSPR) methods…”
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Insight prediction of receptor binding activity of a set of benzamide derivatives using hybrid QSAR models: GA‐MLR and GA‐SVR by Van Tat, Pham, Nhung, Nguyen Thi Ai

“…In this study, we developed the hybrid QSAR models (HQSAR) for a set of benzamide derivatives by combining genetic algorithms with multivariate regression and…”
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Discovery of novel thiazole derivatives as anti‐breast cancer agents (MCF‐7) and validation of homologous effects on SARS‐CoV‐2 virus using in silico approaches by Quang, Nguyen Minh, Linh, Bui Thi Trieu, Uyen, Tran Tu, Ngoc, Vu Thi Bao, Hoa, Tran Thai, Van Tat, Pham

“…The development of new drugs with activity against breast cancer (MCF‐7) and SARS‐CoV‐2 based on new thiazole derivatives is still of great interest to many…”
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Ab Initio Intermolecular Potential Energy Surfaces and Cross Second Virial Coefficients for the Dimer N2-NO by Van Tat, Pham, Thai Hoa, Tran

“…Ab initio intermolecular potential energy surfaces (PES) of N2-NO have been constructed at the level of theory CCSD(T) with the augmented…”
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Ab Initio Intermolecular Potential Energy Surfaces and Cross Second Virial Coefficients for the Dimer N 2 -NO by Van Tat, Pham, Thai Hoa, Tran

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Evaluation of the Inhibitory Activities of COVID‐19 of Melaleuca cajuputi Oil Using Docking Simulation by My, Tran Thi Ai, Loan, Huynh Thi Phuong, Hai, Nguyen Thi Thanh, Hieu, Le Trung, Hoa, Tran Thai, Thuy, Bui Thi Phuong, Quang, Duong Tuan, Triet, Nguyen Thanh, Anh, Tran Thi Van, Dieu, Nguyen Thi Xuan, Trung, Nguyen Tien, Hue, Nguyen Van, Tat, Pham Van, Tung, Vo Thanh, Nhung, Nguyen Thi Ai

“…GC‐MS was applied to identify 24 main substances in Melaleuca cajuputi essential oil (TA) extracted from fresh cajeput leaves through steam distilling. The…”
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New triterpene sulfates from Vietnamese red alga Tricleocarpa fragilis and their α-glucosidase inhibitory activity by Tran, Thi Van Anh, Nguyen, Van Minh, Nguyen, Thi Ai Nhung, Nguyen, Dat Huy Thanh, Tran, Duy Hien, Bui, Thi Phuong Thuy, Pham, Van Tat, Nguyen, The Han

“…Three new compounds (methyl-3β,25-dihydroxycycloart-23-en-29-oate 3-sulfate (1), methyl-3β-hydroxy-25-methoxycycloart-23-en-29-oate 3-sulfate (2) and…”
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Diagram of vapor‐liquid equilibria for n‐pentane using hybrid Gibbs ensemble Monte Carlo simulation by Nhung, Nguyen Thi Ai, Van Tat, Pham

“…In this paper we report the simulation results using the 5‐site Lennard‐Jones potential function obtained from ab initio interaction energy for n‐pentane at…”
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Theoretically predicted divalent silicon(0) compounds: Structures and chemical bonding of silylone in molybdenum pentacarbonyl complexes [Mo(CO)5-Si(XCp∗)2] (X = B–Tl) by Loan, Huynh Thi Phuong, Duc, Hoang Van, Quang, Duong Tuan, Tat, Pham Van, Hiep, Dang Tan, Nhung, Nguyen Thi Ai

“…[Display omitted] •The bonding of complexes [Mo(CO)5-Si(XCp*)2] (X = B–Tl) are investigated by DFT.•The trend of the BDEs in complexes [Mo(CO)5-Si(XCp*)2]…”
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Theoretical assessment of donor–acceptor complexes [X(PPh3)2 → AlH2]+ (X = C–Pb): structures and bonding by Nhung, Nguyen Thi Ai, Loan, Huynh Thi Phuong, Son, Phung Tan, Van Duc, Hoang, Quang, Duong Tuan, Van Tat, Pham, Hiep, Dang Tan

“…Quantum chemical investigations at the BP86/def2-SVP, BP86/def2-TZVPP and BP86/TZ2P+ levels of theory have been done for the series of AlH 2 + complexes that…”
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Evaluation of SARS‐CoV ‐2 inhibition of some compounds in CYMBOPOGON CITRATUS oil combining docking and molecular dynamics simulations by Thuy, Bui Thi Phuong, Nhan, Vo Duy, Quang, Nguyen Minh, Duoc, Nguyen Thanh, Van Tat, Pham

“…Abstract The visual screening and simulation methods were used to evaluate the inhibitory ability of 34 compounds in Cymbopogon citratus oil against…”
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Evaluation of SARS‐CoV‐2 inhibition of some compounds inCYMBOPOGON CITRATUS oil combining docking and molecular dynamics simulations by Thuy, Bui Thi Phuong, Nhan, Vo Duy, Quang, Nguyen Minh, Duoc, Nguyen Thanh, Van Tat, Pham

“…The visual screening and simulation methods were used to evaluate the inhibitory ability of 34 compounds in Cymbopogon citratus oil against SARS‐CoV‐2. We…”
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