International Journal of Electrochemical Science
·
2023
·
IF 1.5
Shenying Xu,Wenpo Li,Xiuli Zuo,Dongdong Zheng,Xingwen Zheng,Shengtao Zhang
The inhibition effect of 2-(2-Hydroxyphenyl)benzothiazole (HBT), a newly synthesized benzothiazole derivative, on mild steel in 1 M HCl medium has been investigated by utilizing weight loss measurements, electrochemical methods and morphology characterization. The results indicate that HBT exhibited a superior corrosion inhibition efficiency, which reached approximately 95% with the addition of 0.07 mM HBT. Electrochemical tests illustrate that HBT is a mixed-type inhibitor. According to the Langmuir adsorption isotherm, the thermodynamic and kinetic parameters of the adsorption process complied with a physical-adsorption mechanism. Furthermore, computational calculations based on density functional theory reveal the relation between the electronic properties and the inhibition efficiency. In combination with the value of pKa , the protonic form of HBT in corrosive medium was predicted.
研究领域:
材料科学
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电化学
·
计算化学
✓ 已验证
产品关联
DOI
高影响因子
ACS Applied Energy Materials
·
2021
·
IF 6.024
Jun Zhang,Shuai Shao,Desen Zhou,Tingmin Di,Tielin Wang
Two-dimensional (2D) layered nanocomposite provides a surface-to-surface heterojunction, which is an effective way to improve the photocatalytic performance because larger contact areas can promote the separation rate of interfacial charge carriers. In this study, Co(OH)2/g-C3N4/Ni(OH)2 2D layered photocatalysts have been successfully synthesized through a simple precipitation–hydrothermal method. The composite achieves a high H2-production rate of 899 μmol·h–1·g–1, which exceeds the rate of samples only coupled with Co(OH)2 and Ni(OH)2 by 4.0 and 1.9 times, respectively. In addition, the activity is even higher than that of the optimized Pt-g-C3N4 sample (1 wt. % Pt–C). The characterization results reveal the close contact of g-C3N4 and Ni/Co hydroxides, and such a face-to-face contact can greatly improve the interfacial charge-transfer rate, resulting in a high photocatalytic performance. This work demonstrates a simple way to enhance the photocatalytic H2 production of g-C3N4 under the cooperative effect of Co(OH)2 and Ni(OH)2 and provides novel insights into constructing other 2D ternary heterostructure nanocomposites.
研究领域:
材料科学
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催化化学
✓ 已验证
DOI
高影响因子
MONATSHEFTE FUR CHEMIE
·
2015
·Vol. 147
·期 6
·1101-1105
·
IF 1.222
Tu Xingzhao,Xiong Jing,Li Zhijie,Zhou Lihong,Emmanouil Christina,Zeng Qingle
Abstract The valuable 2-( tert -butyldisulfanyl)heterocycles were effectively synthesized from 2-mercaptoheterocycles and tert -butanesulfinamide via unusual condensation. The reaction between 2-mercapto sulfur-containing heterocycles and tert -butanesulfinamide was performed under ligand-free CuI-catalyzed conditions. The synthetic processes described herein are simple, cost-efficient, and practical. Furthermore, a plausible mechanism is proposed for this transformation. Graphical abstract
研究领域:
有机化学
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药物化学
✓ 已验证
DOI
高影响因子
JOURNAL OF SOLUTION CHEMISTRY
·
2021
·Vol. 50
·期 4
·544-557
·
IF 1.677
Dong Shihua,Jia Bing,Chen Xiubin,Jiang Xiaobo
For separation of the azeotropes of water + 2-methyl-3-buten-2-ol by liquid–liquid extraction, methyl tert-butyl ether or butyl acetate or 4-methyl-2-pentanone or 2-ethyl-1-hexanol was selected as the extraction solvent. The liquid–liquid equilibrium (LLE) data for water + 2-methyl-3-buten-2-ol + (methyl tert-butyl ether/butyl acetate/4-methyl-2-pentanone/2-ethyl-1-hexanol) ternary systems at 308.2 K under 101.3 kPa were determined. The distribution coefficient and the separation factor were calculated to evaluate the extraction ability of different solvents. The Othmer–Tobias, Bachman, and Hand equations were applied to verify the reliability of the experimental LLE data. Meanwhile, the experimental LLE data were successfully correlated by the NRTL and UNIQUAC models with the root-mean-square deviations (RMSD) were less than 0.42%.
研究领域:
化学工程
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热力学
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
·
2015
·
IF 2.999
Qingnan Wu,Ming Wen,Shipei Chen,Qingsheng Wu
Ni(OH) 2 /CNTs/Ni(OH) 2 lamellar-crossing-nanostructure with a single lamellar spacing of ∼5 nm was effectively constructed through two-phase-interface reaction process followed by the CNTs crossed among the lamellar-nanostructured Ni(OH) 2 . The resultant nanocomposite can offer large active surface areas and short diffusion paths for electrons and ions, and is investigated as a potential pseudocapacitor electrode material for electrochemical energy storage applications. Electrochemical data demonstrate that the as-prepared nanocomposite exhibits a high specific capacitance of ∼1600 F g −1 at the scan rate of 1 mV s −1 in 6 M KOH solution at normal pressure and temperature, which is great higher than Ni(OH) 2 (∼1200 F g −1 ). Furthermore, Ni(OH) 2 /CNTs/Ni(OH) 2 nanocomposite shows a higher energy density (∼125 Wh kg −1 , 2 A g −1 ) and has a slightly decrease of 5% in specific capacitance after 1000 continuous charge/discharge cycles.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2021
·
IF 7.514
Yun-Jiao Ma,Xiao-Yuan Wang,Bei-Wei Zhu,Ming Du,Liang Dong,Xiu-Ping Dong,Xian-Bing Xu
Vinylpyrazine compounds are widely present in foods , especially in hot-processed foods, as a class of flavor compounds ; however, their formation mechanism in food systems is still unclear. Therefore, in this study, 2-vinylpyrazine and 2-vinyl-6-methylpyrazine were identified in the Maillard model reaction of d -glucose and glycine. The Maillard model reaction of glucose–glycine was constructed to explore the effects of reaction parameters on vinylpyrazines and the related products. The Maillard reaction of [U- 13 C 6 ] glucose and glycine was established, and alkylpyrazines and formaldehyde were determined via isotope tracing technique as the precursors of vinylpyrazines. The formation of vinylpyrazines was verified by building a model reaction between alkylpyrazines and formaldehyde. The H/D exchange experiment confirmed that the active site of alkylpyrazines was on the methyl group , which was the reaction site for the condensation reaction of alkylpyrazines with formaldehyde. Results suggest that vinylpyrazines are formed by the condensation reaction of alkylpyrazines and formaldehyde.
研究领域:
食品科学
·
化学
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF LABELLED COMPOUNDS & RADIOPHARMACEUTICALS
·
2018
·Vol. 61
·期 14
·1043-1047
·
IF 1.423
Wulian Chen,Chaomin Zhao,Xiaojun Deng
An efficient and simple synthetic route of deuterium-labeled 2-quinoxalinecarboxylic acid- d 4 (QCA- d 4 ) and 3-methylquinoxaline-2-carboxylic acid- d 4 (MQCA- d 4 ) is presented with 99.9% and 99.6% isotopic enrichment using aniline- d 5 as labeled starting material. Their chemical structures were confirmed by 1 H NMR, and their isotopic abundance was determined by mass spectrometry analysis.
研究领域:
有机化学
·
药物化学
✓ 已验证
DOI
高影响因子
CHEMISTRY-A EUROPEAN JOURNAL
·
2025
·
IF 3.7
Jinbo Ouyang,Longping Jiang,Jiayao Li,Feiqiang He,Zhi Gao,Mengmeng Wang,Limin Zhou,Zongbo Xie,Zhiqiang Zhu,Yifu Chen
Graphical Three isomeric fluorinated acylhydrazone derivatives (DFBP-IND, DFBP-BHD, DFBP-3-FBHD) were successfully synthesized and demonstrated dynamic photo-responsive behavior ranging from crack initiation to crystal fragmentation under 365 nm UV irradiation. The photochemical mechanism was explored in detail and highlighted the essential role of the C═N bond in the acylhydrazone framework for enabling [2+2] cycloaddition-driven actuation. Our structural engineering strategy established a design paradigm for photoresponsive materials through rational selection of hydrazide precursors, enabling precise modulation of optomechanical properties. Crystalline materials with photomechanical responsiveness have garnered significant attention in flexible actuators and micro/nano-electromechanical systems due to their unique capability to directly convert light into mechanical energy. In this work, four novel fluorinated acylhydrazone compounds were successfully synthesized through direct condensation reactions between 4,4′-difluorobenzophenone (DFBP) and acylhydrazine compounds, including benzoylhydrazine (BHD), 3-fluorobenzoylhydrazine (3-FBHD), isoniazid (IND), and acetylhydrazine (AED). Systematic investigation of their photomechanical responses revealed distinct molecular mechanisms. Experimental results demonstrate that isomeric fluorinated acylhydrazone derivatives (DFBP-BHD, DFBP-3-FBHD, DFBP-IND) exhibit dynamic photo-responsive behavior ranging from crack initiation to crystal fragmentation under 365 nm UV irradiation, whereas the hydrazone derivative DFBP-AED remains inert. This confirms the essential role of [2 + 2] photocycloaddition-dependent C = N double bonds in photomechanical activity. Comprehensive characterization through DSC, TG, XRD, ¹H/¹ 3 C NMR, and MS elucidated the formation pathways and structural characteristics of photocycloaddition products. Density functional theory calculations revealed that energy disparities between (0 0 1) and (1 0 0) crystallographic planes govern longitudinal fragmentation patterns. This study establishes a “molecular structure-crystal arrangement-macroscopic response” multi-scale regulation strategy, offering novel insights for developing high-performance light-driven materials.
研究领域:
材料科学
·
光化学
·
晶体工程
·
机械工程
·
理论化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2023
·
IF 8.6
Shanlong An,Xin Huang,Nuo Li,Qiangwei Li,Tieyue Qi,Rujie Wang,Lidong Wang
2-amino-2-methyl-1-propanol (AMP) combines the advantages of the faster reaction rate of primary/secondary amines and the high absorption capacity of tertiary amines, making it a highly promising alternative to monoethanolamine (MEA). However, at high AMP concentrations, the absorption products are prone to solid crystallization, resulting in unstable operation of the carbon capture system. In this work, by adding a small amount of diethylenetriamine (DETA) to AMP, the crystallization of reaction products can be effectively controlled and AMP-DETA absorbent possesses a high absorption rate, low regeneration energy, and low metal corrosion rate. Wetted-wall column tests were performed to comprehensively evaluate the mass transfer kinetics and the effect of crucial conditions, and the diffusion coefficient, gas–liquid mass transfer coefficient, enhancement factor, and mass transfer resistance distribution were obtained. The effect of the addition of DETA on the solubility of HCO 3 − was verified. DETA carbamate was more likely to form intermolecular hydrogen bonds with HCO 3 − , thus reducing the formation of dimeric or multichain macromolecules between HCO 3 − molecules through hydrogen bonds and inhibiting the crystallization of high concentration HCO 3 − . HCO 3 − can accelerate the desorption rate by participating in the deprotonation of protonation amines. The results demonstrated that the average regeneration energy of the AMP–DETA absorption system was reduced by 21.2 % relative to that of 5 M MEA, and its metal corrosion rate was 0.07 mm/a, which was only 7.9 % of MEA under the same conditions. The results contribute to the industrial application of AMP–DETA.
研究领域:
化学工程
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2025
·
IF 4.7
Yu Zhu,Ying Wang,Huimin Zhao,Jinli Wei,Haoyuan Chen,Maroosha Javed,Linghua Zhuang,Guowei Wang
In this study, Schiff base derivatives 5a-5f containing 2-(2-hydrazinyl) thiazole moiety were synthesized and confirmed with spectral analysis ( 1 H NMR, 13 C NMR, IR, MS). The antioxidant activity was evaluated using DPPH free radical scavenging assay. Compound 5c (IC 50 = 21.71 ± 2.64), 5d (IC 50 = 22.59 ± 4.26) demonstrated good antioxidant activity. Density functional theory (DFT) calculations were performed to analyze the optimized geometric structures, including natural bond orbital (NBO) analysis, frontier molecular orbital (FMO) analysis, and molecular electrostatic potential (MEP) analysis. The most credible transition observed in compound 5a was π (C21-C22) → π*(C23-C24), with highest stabilization energy of 22.67 kcal/mol. Compounds 5a-5f exhibited strong interactions and favorable binding energies. The binding affinity of Compounds 5a-5f ranged from -5.42 to -6.37 kcal/mol. The binding affinity of compound 5a was -6.31 kcal/mol. Molecular docking studies elucidated that compounds 5a-5f showed a certain binding ability to human antioxidant enzyme receptor 3MNG, supporting the experimental antioxidant activity results. Compound 5a demonstrated the most active antioxidant property. Two hydrogen bonds were found, as N13-H14…GLU27:O (GLU27, 2.15 Å), ASN24:H…S18 (ASN24, 2.33 Å). Compounds 5a-5f adhered to Lipinski's Rule of Five. Compounds 5a, 5b , and 5d demonstrated relative higher Drug-Likeness values. These results will shed light on design, preparation of new Schiff base antioxidants and provide important information for optimizing the chemical structures of antioxidants with higher anti-oxidative properties.
研究领域:
有机化学
·
药物化学
·
计算化学
✓ 已验证
产品关联
DOI
高影响因子
FOOD AND CHEMICAL TOXICOLOGY
·
2015
·
IF 2.895
Lingchen Yang,Zezhong Yu,Jiafa Hou,Yifeng Deng,Zhenlei Zhou,Zhiyong Zhao,Jun Cui
T-2 and HT-2 toxins belong to mycotoxins which are found in human foods and animal chow. We investigated the toxicity and oxidative stress induced by T-2/HT-2 in broilers and chicken hepatocytes. Maize cultures of Fusarium poae was fed to broilers for 42 d, and the physiological index, biochemical index and expression of mRNAs related to oxidative stress were analyzed. Chicken hepatocytes were treated with different levels of T-2/HT-2, and the following parameters were detected: cell viability, GSH and MDA concentration, LDH leakage , activities of ALT/AST, ROS , GSH-PX, SOD and CAT , and expression of mRNA related to oxidative stress. In vivo, high levels of mycotoxins (4 mg/kg T-2 and 0.667 mg/kg HT-2) in feed caused significant reductions in body weight, weight gain, and serum total protein, and significant increases in feed conversion ratio, ALP , ALT/AST activities, and expression of mRNA related to oxidative stress. In vitro, cells treated with T-2/HT-2 showed reductions of GSH concentration and significant increases in LDH leakage, ALT/AST ROS, GSH-PX, SOD and CAT activities, MDA concentration, and expression of mRNA related to oxidative stress. Consequently, F. poae culture material and T-2/HT-2 induced toxicity and oxidative stress in vivo and in vitro, respectively.
研究领域:
兽医学
·
毒理学
·
分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CRYSTAL GROWTH & DESIGN
·
2021
·
IF 4.076
Yunqiao Guo,Die Zhang,Ting Zheng,Ling Huang,Daojiang Gao,Jian Bi,Guohong Zou
Two new alkali metal formic-borates named Rb3(COOH)3(H3BO3)2 and Cs3(COOH)3(H3BO3)2 have been successfully synthesized under mild conditions. Influenced by the different cation sizes, these two stoichiometrically equivalent compounds reveal discrepant symmetries: Rb3(COOH)3(H3BO3)2 is noncentrosymmetric (NCS) while Cs3(COOH)3(H3BO3)2 is centrosymmetric (CS). Especially, these two title compounds exhibit unique planar [(COOH)3(H3BO3)2]3– layers constructed from two kinds of planar π-conjugated asymmetric BO3 and COOH units, which induce the large birefringence, 0.09@1064 nm for Rb3(COOH)3(H3BO3)2 and 0.10@1064 nm for Cs3(COOH)3(H3BO3)2, respectively. Optical property measurements indicate that these two compounds display short UV absorption edges, suggesting that they are promising short-wave UV birefringent materials. A detailed theoretical analysis confirmed that the excellent linear optical property was derived from the synergistic effect of the two kinds of π-conjugated planar groups.
研究领域:
材料科学
·
光学
·
晶体学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）