bluuebunny/crossref_metadata_2025_split huggingface dataset:
Transforming Undesired Corrosion Products into a Nanoflake‐Array Functional Layer: A Gelatin‐Assistant Modification Strategy for High Performance Zn Battery Anodes
Authors: Wu Bing , Liu Jiaxing , Rao Shengpu , Zheng Chengjin , Song Weihao , Ma Qing , Niu Jin , Wang Feng 
Published: March 2024

AbstractAs corrosion products of Zn anodes in ZnSO4 electrolytes, Zn4SO4 (OH)6·xH2O with loose structure cannot suppress persistent side reactions but can increase the electrode polarization and induce dendrite growth, hindering the practical applications of Zn metal batteries. In this work, a functional layer is built on the Zn anode by a gelatin‐assistant corrosion and low‐temperature pyrolysis method. With the assistant of gelatin, undesired corrosion products are converted into a uniform nanoflake array comprising ZnO coated by gelatin‐derived carbon on Zn foil (denoted Zn@ZnO@GC). It is revealed that the gelatin‐derived carbons not only enhance the electron conductivity, facilitate Zn2+ desolvation, and boost transport/deposition kinetics, but also inhibit the occurrence of hydrogen evolution and corrosion reactions on the zincophilic Zn@ZnO@GC anode. Moreover, the 3D nanoflake array effectively homogenizes the current density and Zn2+ concentration, thus inhibiting the formation of dendrites. The symmetric cells using the Zn@ZnO@GC anodes exhibit superior cycling performance (over 7000 h at 1 mA cm−2/1 mAh cm−2) and without short‐circuiting even up to 25 mAh cm−2. The Zn@ZnO@GC||NaV3O8 full cell works stably for 5000 cycles even with a limited N/P ratio of ≈5.5, showing good application prospects.
Support‐Based Transfer and Contacting of Individual Nanomaterials for In Situ Nanoscale Investigations
Authors: Hettler Simon , Furqan Mohammad , Arenal Raul 
Published: March 2024

AbstractAlthough in situ transmission electron microscopy (TEM) of nanomaterials has been gaining importance in recent years, difficulties in sample preparation have limited the number of studies on electrical properties. Here, a support‐based preparation method of individual 1D and 2D materials is presented, which yields a reproducible sample transfer for electrical investigation by in situ TEM. A mechanically rigid support grid facilitates the transfer and contacting to in situ chips by focused ion beam with minimum damage and contamination. The transfer quality is assessed by exemplary specimens of different nanomaterials, including a monolayer of WS2. Possible studies concern the interplay between structural properties and electrical characteristics on the individual nanomaterial level as well as failure analysis under electrical current or studies of electromigration, Joule heating, and related effects. The TEM measurements can be enriched by additional correlative microscopy and spectroscopy carried out on the identical object with techniques that allow a characterization with a spatial resolution in the range of a few microns. Although developed for in situ TEM, the present transfer method is also applicable to transferring nanomaterials to similar chips for performing further studies or even for using them in potential electrical/optoelectronic/sensing devices.
Flavonoids and Alkaloids from Marine‐Derived Actinomycete Streptomyces sp. C011
Authors: Hoa Tran Thi Thanh , Van Nam Vu , Huong Doan Thi Mai , Dao Phi Thi , Phuong Nguyen Nam , Minh Le Thi Hong , Quyen Vu Thi , Anh Nguyen Mai , Murphy Brian T. , Ly Ho Thi Minh , Van Cuong Pham 
Published: March 2024

AbstractFive secondary metabolites including three flavonoids, 6‐lavandulyl‐5,7,2′,4′‐tetrahydroxyflavanone (1), 5′‐lavandulyl‐2′‐methoxy‐2,4,4′,6′‐tetrahydroxychalcone (2), 6‐lavandulyl‐7‐methoxy‐5,2′,4′‐trihydroxyflavanone (3), and two alkaloids, tryptoline (4), and norharman (5) were isolated from the culture broth of Streptomyces sp. C011. Their structures were determined by spectral data analysis, including MS, 2D NMR, and CD spectrum. All the separated compounds were evaluated for their antimicrobial activities. Compounds 1, 2, 3 and 5 exhibited antimicrobial activity.
Progress through synergistic effects of heterojunction in nanocatalysts ‐ Review
Authors: Cuong Nguyen Duc , Quang Duong Tuan 
Published: March 2024

AbstractThere are major advances in the development of the nanostructured materials to enhance the reaction performance in catalytic field. Recent efforts have shown that high conversion efficiency and stability of efficient nanocatalysts can be achieved by combining the intrinsic properties of single components into heterostructures. The unprecedented combination affords the integrated nanocatalysts capable of overcoming the limitations of single components and addressing the issues of the assessment of the efficiency of the catalytic converters. The present review gives a concise overview of the heterostructured nanoarchitectures with a focus of the tailoring of their structural geometry, self‐construction and surface chemistry to effectively create integrated catalysts with multi‐functionalities. The novel integrated catalysts present in the critical review were emphasized these concepts by undergoing inherent synergistic effects in their heterojunction structures to emerge superior catalytic performance and high selectivity for promising applications. Various types of the integrated nanocatalysts including coupled particles, porous composites, organized hybrids, assembled films, and biomimetic replicas are presented in respect to the discussion of expressive statements for widespread emerging applications in artificial photosynthesis, graphene‐based catalysts, electrochemical gas sensing, water‐gas shift reaction, and methane fuel generation.
Study on SARS‐CoV‐2 inhibition of some potential drugs using molecular docking simulation
Authors: My Tran Thi Ai , Hieu Le Trung , Hai Nguyen Thi Thanh , Loan Huynh Thi Phuong , Bui Thanh Q. , Thuy Bui Thi Phuong , Van Trung Phung , Tram Bui Thi Bao , Tran Nguyen Huyen Ngoc , Quy Phan Tu , Quang Duong Tuan , Oanh Doan Thi Yen , Van Tat Pham , Dao Duy Quang , Nhung Nguyen Thi Ai 
Published: March 2024

AbstractInhibitory capabilities of six old drugs selected from the DrugBank database including Losartan, Triazavirin, TMC‐310911, Verapamil, Clevudine and Elbasvir, which are promising for the treatment of an infectious disease caused by SARS‐CoV‐2, were examined on the host receptor Angiotensin‐converting enzyme 2 (ACE2) and the main protease (PDB6LU7) of SARS‐CoV‐2 using molecular docking simulation. Results reveal that both proteins ACE2 and PDB6LU7 are in strong inhibition by the drugs and the inhibitory effectiveness is in the order: Clevudine > Triazavirin > TMC‐310911 > Elbasvir > Losartan > Verapamil. In particular, the inhibitability highly correlates with the average docking score energy of inhibitory complexes, and drug‐protein active interactions. Regarding inhibitory ligands, their polarizability, molecular size, and dispersion coefficient logP are also significant indicators for inhibition potential. The drugs are suggested as valuable resources for selecting potential pharmaceuticals to prevent SARS‐CoV‐2 invasion into human body given theoretical demonstration of molecular docking simulation.
Terpene and lignan glycosides from the leaves of Aralia chinensis
Authors: Yen Pham Hai , Chuong Nguyen Thi Hong , Lien Giang Thi Kim , Cuc Nguyen Thi , Thu Vu Kim , Tai Bui Huu , Nhiem Nguyen Xuan , Van Minh Chau , Van Kiem Phan 
Published: March 2024

AbstractFrom the methanol extract of Aralia chinensis leaves, three terpene glycosides (1‐3) and one lignan glycoside (4) were isolated by using various chromatographic methods. Their chemical structures were identified as (2R,6S)‐borane‐2,6‐diol 2‐O‐β‐D‐apiofuranosyl‐(1→6)‐glucopyranoside (1), 3‐O‐β‐D‐glucopyranosyl‐(1→3)‐β‐D‐glucuronopyranosyl‐oleanolic acid‐28‐O‐β‐D‐glucopyranoside (2), 3‐O‐[α‐L‐arabinofuranosyl‐(1→4)‐O‐β‐D‐glucopyranosyl‐(1→3)]‐β‐D‐glucuronopyranosyl‐oleanolic acid‐28‐O‐β‐D‐glucopyranoside (3), and liriodendrin (4) by using combination ofESI‐MS, 1D and 2D NMR spectral data as well as by comparison with the previous literature.
Domino Reaction of Benzyne with Dimethyl 3,5‐Dioxopimelate
Authors: Erfle Silke , Langer Peter 
Published: March 2024

AbstractThe reaction of dimethyl 3,5‐dioxopimelate, a readily available 1,3,5,7‐tetracarbonyl compound, with benzyne resulted in formation of a highly functionalized naphthalene derivative which is formed by an unprecedented domino ‘insertion / aldol condensation’ reaction.
SERS chemical enhancement by copper ‐ nanostructures: Theoretical study of Thiram pesticide adsorbed on Cu20 cluster
Authors: Hieu Truong Dinh , Chinh Ngo Thi , Nhung Nguyen Thi Ai , Quang Duong Tuan , Quang Dao Duy 
Published: March 2024

AbstractSurface‐enhanced Raman spectroscopy (SERS), a surface‐sensitive technique, allows the practicability of detecting chemical compounds in ultra‐low concentration. In this work, a chemical enhancement mechanism of SER process of Thiram pesticide adsorbed on copper nanomaterial surface was proposed based on density functional theory (DFT) approaches. Structural and electronic properties of Thiram and Thiram‐Cu20 complexes were optimized using PBE method with LanL2DZ basis set for copper atoms and cc‐pVDZ basis set for the non‐metal atoms. In the most stable adsorption configuration, Thiram interacted with Cu20 cluster via two S(sp2) atoms. The main peaks on normal Raman spectrum of Thiram were characterized at 371, 576, 1414 and 1456 cm‐1 responsible for the stretching vibrations of C–S, C=S, S–C–S and C–N groups, respectively. Otherwise, the main peaks of Thiram‐Cu20 SERS spectrum were found at 534, 874, 982, 1398 and 1526 cm‐1 corresponding to the stretching vibrations of S–S, C‐S, S–C–S, C–N and CH3–N bonds, respectively. The SERS chemical enhancement of Thiram by Cu20 cluster was about 2 and 6 times stronger than those obtained from Ag20 and Au20 cluster, respectively. The chemical enhancement mechanism was also explained by analyzing HOMO and LUMO energies gap and density of states.
Effect of laccol‐modified epoxy on fracture toughness of carbon fabric reinforced biobased epoxy composite
Authors: Trung Dang Huu , Dieu Tran Vinh , Oanh Doan Thi Yen , Hai Trinh Thi 
Published: March 2024

AbstractLaccol is a main component of Vietnamese lacquer sap (Rhus succedanea), it is a natural phenol with two hydroxyl groups in octo‐position and unsaturated side chains. The laccol‐modified epoxy was directly dispersed in the epoxy resin and then the modified matrices were cured with cyanethyl‐diethylenetriamine (CEDETA) as a curing agent. The reaction of the epoxy epikote 828 with the laccol was studied using mid FT‐IR spectroscopic techniques. Effects of laccol contents in the epoxy matrix and carbon fabric/epoxy (CF/EP) composites on the izod impact strength and mode‐I interlaminar fracture toughness were investigated. The obtained testing results showed that the izod impact strength of epoxy matrix significantly increased by 35 % when 20 wt.% laccol was dispersed in the epoxy matrix. In addition, the mode‐I interlaminar fracture toughness of CF/EP composites at crack initiation (GIC) and propagation (GIP) were also improved by 59 % and 43 %, respectively, by using 20 wt.% laccol. Damaged surfaces of fractured samples were investigated using scanning electron microscopy (SEM) techniques. The overall results have shown that it is possible to obtain excellent impact strength and mode I interlaminar fracture toughness with the use of laccol as a toughness agent for the epoxy resins.
Diterpenoids from Rosmarinus officinalis L. and their nitric oxide inhibitory activity
Authors: Huyen Le Thi , Oanh Le Thi 
Published: March 2024

AbstractOne icetexane diterpenoid, demethylsalvicanol (1) and four abietane diterpenoids, sageone (2), 20‐deoxocarnosol (3), 11,12,20‐trihydroxy‐abieta‐8,11,13‐triene (4), and 7αα‐ethoxyrosmanol (5) were isolated from the n‐hexane layer of the leaves and twigs of Rosmarinus officinalis L. Chemical structures of compounds were identified by ESI‐MS, 1D‐, 2D‐NMR spectra and by comparison of the spectral data in the literature. Compounds 1‐5 were evaluated anti‐inflammatory activity by inhibitory NO production, LPS stimulated on RAW 264.7 cells. At a concentration of 100 μM, compound 4 exhibited inhibitory percentage of 34.7±1.8 %, meanwhile compounds 1‐3 and 5 showed cytotoxic effect. After dilution to concentration of 20 μM, except compound 1 and 2, compounds 3‐5 did not show cytotoxic effect. Their NO inhibitory productions were ranging from 20.5±2.4 % to 26.7±1.9 %. Compounds 1, 3 and 4 have been reported for the first time from the Rosmarinus genus.
Validation of the method for determination of Phenolphthalein and Sibutramine in weight‐loss functional foods from Viet Nam by UPLC‐MS/MS
Authors: Hieu Tran Quang , Vi Phan Pham Huynh , Phuong Pham Kim , Bien Lai Thi Kim , Tan Nguyen Thanh 
Published: March 2024

AbstractA rapid, selective, and sensitive method by using ultra‐performance liquid chromatography‐tandem mass spectrometry (UPLC‐MS/MS) for the simultaneous determination of phenolphthalein (PP) and sibutramine (SB) in weight‐loss functional foods was developed. The optimal conditions of liquid chromatographic separation and mass spectroscopy of PP and SB have also been examined. The linear ranges for both PP and SB detected by the method were 0.20÷10.0 ng/mL, and corresponding correlation coefficients of 0.9991 and 0.9992, respectively. Mean recoveries of both analytes in the weight‐loss functional foods at three spike levels (low, medium, and high) were within the range of 98.5÷102.5 % (n = 11). LOD, LOQ values of PP were 0.12 and 0.36 ng/mL, respectively, while SB's LOD and LOQ were 0.09 ng/mL and 0.28 ng/mL. The impact of the matrix effect on the accuracy, repeatability, and recovery of the process was negligible. The recommended approach was applied to determine the content of the two substances in ten weight‐loss drug capsules and nine weight‐loss herbal teas, which were purchased in Ho Chi Minh City Viet Nam in 2019. PP was found in 5 of 19 samples, and SB was detected in 6 of 19 samples.
Antimicrobial and computational investigation of two 2,3‐dihydro‐1H‐inden‐1‐one derived fluorinated chalcone motifs
Authors: Shinde Rahul Ashok , Adole Vishnu Ashok , Jagdale Bapu Sonu 
Published: March 2024

AbstractIn this work, we report the anti‐microbial and computational study of two 2,3‐dihydro‐1H‐inden‐1‐one derived fluorinated chalcone scaffolds. The (E)‐2‐(4‐(trifluoromethyl)benzylidene)‐2,3‐dihydro‐1H‐inden‐1‐one (TFMBD‐1) and (E)‐2‐(4‐(trifluoromethoxy)benzylidene)‐2,3‐dihydro‐1H‐inden‐1‐one (TFMBD‐2) were synthesized by Claisen‐Schmidt reaction. The in‐depth structural analysis of optimized molecular structures, bond lengths and bond angles has been discussed by using density functional theory (DFT) with B3LYP/6‐311++G(d,p) basis set. The geometrical parameters, frontier molecular orbitals, global reactivity parameters, and MESP surfaces were all predicted using the same basis set on completely optimized geometries. Ionization potential, electron affinity, electronegativity, chemical hardness, global softness, global electrophilicity, and chemical potential were calculated using HOMO and LUMO energy values. Besides, the synthesized compounds were screened for their in‐vitro antibacterial and antifungal study. Antibacterial activity was screened against two Gram‐negative bacteria, E. coli and P. vulgaris, as well as against two Gram‐positive bacteria, S. aureus and B. subtilis, and antifungal activity was evaluated against A. niger and C. albicans. The TFMBD‐1 was revealed to be a more effective antibacterial and antifungal agent than TFMBD‐2.
Synthesis, spectral and thermal studies of new Schiff base copper(II) complexes with their biological effect on Entomopathogenic nematodes
Authors: El‐Boraey Hanaa A. , Abdel‐Rahman Randa M. , Atia Ensaf M. , EL‐Gammal Ohyla A. 
Published: March 2024

AbstractNew Schiff base ligands; (Z)‐1,5‐diphenyl‐2‐((thiophen‐2‐ylmethylene)amino)‐1H‐pyrrole‐3‐carbonitrile (L1); or (Z)‐2‐((2,4‐dihydroxybenzylidene)amino)‐1,5‐diphenyl‐1H‐pyrrole‐3‐carbonitrile (H2L2) and their Cu(II) complexes have been isolated and characterized using elemental analysis, spectral (FT‐IR, 1H NMR, UV/vis, EPR), molar conductivity and magnetic moment measurements, in addition to thermal techniques. FT‐IR spectra established that the Schiff base L1 coordinates as neutral bidentate or tridentate ligand. While the Schiff base H2L2 ligates as neutral or monobasic bidentate ligand. The EPR spectra indicated covalent nature of complexes [CuL1(OH)]Cl.2H2O (1), [CuL1(OH)(H2O)2]NO3.2H2O (2), [Cu(H2L2)Cl(H2O)3]Cl.H2O (5) and [Cu(HL2)NO3(H2O)3].H2O (6). The biological effect of Cu(II) ions, current ligands and complexes (1, 5) on the mortality and rate of reproduction of Entomopathogenic nematodes (Heterorhabditis bacteriophora and Steinernema carpocapsae) was studied. The results showed that, the obtained Schiff base ligands and their Cu(II) complexes make detoxification of the lethal effect of Cu(II) ions on the beneficial Entomopathogenic nematodes and complex (1) scored the highest reproduction potential.
Thermodynamic excess functions in organic ternary mixture ‐ Statistical approach (Cibulka expansion)
Authors: Sasikumar P. , Thiyagarajan R. , Mohammed M. K. A. , Nagaraj G. , Revathy M. S. , Palaniappan L. , Nithiyanantham S. 
Published: March 2024

AbstractAcoustic velocity (U), viscosity (η), and density (ρ) characteristics were conducted for different ternary blends of aniline + toluene mixed with some 1‐alcohols at 303 K. Acoustical quantities such as adiabatic compressibility (β), free length (Lf), free volume (Vf), and internal pressure (πi) are acquired from the obtained results for all the blends, with a perspective to study the nature of molecular interaction. These parameters were analyzed along with their excess values (AE) and are found to be useful in evaluating the strength and magnitude of interaction in the blends. The measurement reveals that the interaction between the aniline‐alcohol complexes predominant the other interaction. The excess parameters are fitted to polynomial‐kind Cibulka formula and the coefficient of the fitting are found to be corroborate this work.
In silico screening for inhibitory potentiality towards protein structure tyrosine phosphatase 1B of sulfonylureas derivatives
Authors: Bui Thanh Q. , Thoi Bui Thi , Quy Phan Tu , Nguyen Nguyen Phuong Dai , Thao Tran Thi Phuong , Van Chien Tran , Van Loc Tran , Nhung Nguyen Thi Ai 
Published: March 2024

AbstractSulfonylureas derivatives were demonstrated to be effective inhibitors towards α‐glucosidase, thus also expected possessing inhibitory potentiality towards tyrosine phosphatase structure 1B. Five new sulfonylureas derivatives (S1‐S5), exhibiting α‐glucosidase inhibition activity, were selected for in silico screening for inhibitability towards UniProtKB‐PTP1B structure. Density functional theory confirms their existence; natural bond orbital analysis infers their stability; electronic transferability suggests their capability regarding intermolecular interaction. Docking‐based investigation interprets the inhibitory potentiality of the compounds into the order of complexes: S3‐PTP1B > S4‐PTP1B > S1‐PTP1B > S5‐PTP1B > S2‐PTP1B. QSARS‐based analysis specifies S4 as the most physicochemically and pharmaceutically compatible candidate for the general application as a protein inhibitor (Molecular mass: 213.9 amu; Dispersion coefficient: LogP 4.01; DSaverage: 11.9 kcal.mol‐1). The computer‐based findings encourage further confirmation from experiment‐based researches and development for a versatile inhibitor towards diabetes‐related protein structures (aka. α‐glucosidase and tyrosine phosphatase structure 1B).
Facile synthesis of hydroxyapatite from bovine bone and gelatin/chitosan‐hydroxyapatite scaffold for potential tissue engineering application
Authors: Anh Nguyen Thi Hong , Trinh Tra Phuong , Tan Le Van , Tho Nguyen Thi Mai , Van Cuong Nguyen 
Published: March 2024

AbstractHere, hydroxyapatite was obtained from bovine bones by thermal decomposition at temperatures from 550 to 850°C at the time of 5 hours. The physical characterization showed that all organic components in the bovine bones were eliminated and produced the clean hydroxyapatite. Composite scaffolds were made of the gelatin (G), chitosan (C), and hydroxyapatite (HAp) in various gelatin/chitosan‐HAp mass ratios by the freeze‐drying method. The FT‐IR, SEM, XRD, and EDX techniques were used to examine the structures of synthetic HAp and composite scaffolds. XRD showed three main peaks at 2θ = 31.8, 33.1, and 40.1o, which resembled the characteristic peaks of hydroxyapatite and approved the formation of HAp at 850°C. FT‐IR results at 1360 and 1554 cm‐1 confirmed the formation of –C=N‐ bond of the interaction between chitosan and gelatin to form a 3D interconnected network in scaffolds. The swelling and in‐vitro degradation of composite scaffolds were carried out in PBS and 10 %FBS + PBS solutions. All composite scaffolds demonstrated the cell viability of L929 was above 95 %. These results indicated that the composite showed a potential application in tissue engineering.
Design and synthesis of two Strychnidin‐oxiran‐naphthalenol derivatives and their theoretical evaluation as noradrenaline and serotonin reuptake inhibitors
Authors: Lauro Figueroa‐Valverde , Francisco Díaz‐Cedillo , Ricardo Gobato , Heidari Alireza , Rosas‐Nexticapa  , Marcela  , Maria López‐Ramos , Virginia Mateu‐Armad Maria , Magdalena Alvarez‐Ramirez , Tomas Lopez‐Gutierrez 
Published: March 2024

AbstractSeveral agents have been used as biogenic amine reuptake inhibitors for depression such as imipramine, fluoxetine, reboxetine, and others; however, some of these drugs can produce some secondary effects such as tiredness and psychomotor retardation. Analyzing these data, the aim of this study was to synthesize two Strychnidin‐oxiran‐naphthalenol derivatives using some chemical tools. Besides, the theoretical interaction of Strychnin‐oxiran‐naphthalenol derivatives (compounds 7 and 8) as noradrenaline and serotonin reuptake inhibitors was evaluated using two proteins (1ieo and 5i6z) as theoretical models in a docking model. The results showed a good yielding to synthesis of compounds 7 and 8. Other data suggest that either compounds 7 or 8 could interact with both 1ieo and 5i6z proteins surface, this phenomenon may be translated as changes in the biological activity of norepinephrine and serotonin reuptake. Therefore, compounds 7 and 8 could be considered two good candidates as antidepressants agents.
Nickel ferrite nanoparticles‐doped graphene oxide as a heterogeneous Fenton catalyst: Synthesis, characterization, and catalytic application
Authors: Thy Lu Thi Mong , Tuyen Nguyen Ngoc Kim , Viet Nguyen Duc , Huong Le Minh , Tinh Ninh Thi , Lin Tong Hoang , Son Nguyen Truong , Oanh Doan Thi Yen , Phong Mai Thanh , Hieu Nguyen Huu 
Published: March 2024

AbstractIn this study, nickel ferrite nanoparticles‐doped graphene oxide nanocomposite (NiFe2O4/GO or NG) was fabricated by impregnation method with five different mass ratios of NiFe2O4:GO, namely, 1:1, 3:7, 4:6, 7:3, and 6:4, corresponding to NG1, NG2, NG3, NG4, and NG5 samples. According to the catalytic efficiency of the Fenton reaction of methylene blue (MB), the NG3 sample was chosen as the most appropriate sample, which possessed the highest catalytic efficiency. The effects of volume of H2O2, reaction time, and MB concentration, on the catalytic efficiency of NG3, were also investigated. The results revealed that with the 0.5 mL H2O2, MB concentration of 150 mg/L, and 60 min, the NG3 sample exhibited the highest catalytic efficiency of more than 99 %. The characterization of NG3 was investigated by advanced analysis methods. The results indicated that NiFe2O4 possessed a sphere shape with the size of 10‐30 nm, which was uniformly distributed on the GO sheets. Additionally, NG3 possessed a high specific surface area and magnetism. The above results confirmed that NiFe2O4/GO can be potentially applied in the treatment of organic dyes in water.