JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Xiaoda Wang,Lumin Han,Weican Wang,Ling Li,Ting Qiu
The enzymatic reaction–distillation coupling process is a promising technology to realize the chiral resolution of (R/S)-1-phenylethanol with ethyl butyrate and ethanol as acyl donor and byproduct, respectively. In order to design such a coupling process, the vapor–liquid equilibrium (VLE) data are necessary. However, these data were incomplete in literatures. In this work, the isobaric VLE experiments were conducted at 101.3 kPa for the binary systems of 1-phenylethanol + ethyl butyrate, 1-phenylethanol + ethanol, 1-phenylethyl butyrate + ethyl butyrate, 1-phenylethyl butyrate + ethanol, and 1-phenylethyl butyrate +1-pheny ethanol. Additionally, the saturated vapor pressure of 1-phenylethyl butyrate was measured in the temperature range 420–500 K and correlated with the Antoine equation. Both the Non-Random Two Liquid (NRTL) and Wilson models were used for the correlation of experimental VLE data. Both models showed satisfactory accuracy, although the Wilson model performed slightly better than the NRTL model. This work would provide important thermodynamic information for the design of enzymatic reaction–distillation coupling process to realize the chiral resolution of (R/S)-1-phenylethanol.
研究领域:
化学工程
·
生物化学
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DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2021
·
IF 3.196
Meng Ding,Lei Xu,Yumeng Zhang,Wei Li,Yuqing Zhao
20( R )-25-methoxyl-dammarane-3 β ,12 β ,20-triol (CN Patent: 201,010,107,476.7, AD-1) is a promising antitumor compound, was isolated from total hydrolyzed saponins extracted from Panax notoginseng leaves. A sensitive and rapid method for the simultaneous detection of AD-1 and its 8 major metabolites in rat feces was developed in this study. AD-1 (20 mg/kg) was orally administered to male rats by gastric intubation. Then, the feces samples were collected. After addition of internal standard (Mifepristone), feces samples were pretreated by protein precipitation followed by liquid-liquid extraction. Chromatographic separation was performed on an Angela C 18 column with gradient elution using a mobile phase composed of acetonitrile and water (containing 5 mM ammonium acetate) at a flow rate of 0.3 mL/min. The analytes were detected without any interference from the multiple reaction monitoring (MRM) mode using positive electrospray ionization. Calibration curves offered satisfactory linearity ( r > 0.995) within the determined ranges. Both intra-day and inter-day variances were lower than 15%, and the accuracy was within 85–115%. The fecal excretion recoveries of AD-1 (M0), metabolite 1 (M1), M2, M3, M4, M5, M6, M7 and M8 were 41.36%, 0.62%, 6.20%, 0.50%, 6.99%, 2.07%, 1.86%, 0.41% and 0.29%, respectively. The observed excretion profiles for AD-1 and its metabolites after oral administration are helpful to understand the poor oral bioavailability of AD-1, and will aid further investigations of AD-1 as a pharmacologically active component. Moreover, the in silico ADME (Absorption, Distribution, Metabolism, Excretion) predictions indicated that the metabolites were nontoxic and present passive gastrointestinal absorption. In previous studies, we found that M5, a metabolite of AD-1, has strong cytotoxicity against ovarian cancer cells. Further molecular docking studies showed that the most potent metabolite, M5, effectively binds to poly ADP-ribose polymerase-1 (PARP-1), which may provide novel solutions for treating ovarian cancer.
研究领域:
药理学
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药物代谢动力学
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计算生物学
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DOI
高影响因子
Green Energy & Environment
·
2020
·
IF 6.395
Zhaoning Song,Juncong Yuan,Zhenping Cai,Dong Lin,Xiang Feng,Nan Sheng,Yibin Liu,Xiaobo Chen,Xin Jin,De Chen,Chaohe Yang
The advocacy of green chemical industry has led to the development of highly efficient catalysts for direct gas-phase propene epoxidation with green, sustainable and simple essence. The S-1/TS-1@dendritic-SiO 2 material with three-layer core–shell structure was developed and used as the support for Au catalysts, which showed simultaneously fantastic PO formation rate, PO selectivity and stability (over 100 h) for propene epoxidation with H 2 and O 2 . It is found that silicalite-1 (S-1) core and the middle thin layer of TS-1 offer great mass transfer ability, which could be responsible for the excellent stability. The designed dendritic SiO 2 shell covers part of the acid sites on the external surface of TS-1, inhibiting the side reactions and improving the PO selectivity. Furthermore, three kinds of SiO 2 shell morphologies (i.e., dendritic, net, mesoporous shell) were designed, and relationship between shell morphology and catalytic performance was elucidated. The results in this paper harbour tremendous guiding significance for the design of highly efficient epoxidation catalysts.
研究领域:
化学工程
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催化材料科学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Qing Yi,Wei-Peng Chen,Xiang-yang Zhang,Yan-Yang Wu,Bin Wu,Kui Chen,Li-Jun Ji
The isobaric vapor–liquid equilibrium (VLE) data of 2-phenylethanol (2-PE) + 2-ethylphenol (2-EP), 1-phenyl-2-propanol (1,2-PP) + 2-ethylphenol (2-EP), 2-phenylethanol (2-PE) + 1-phenyl-2-propanol (1,2-PP) and 2-phenyl-1-propanol (2,1-PP) + 2-ethylphenol (2-EP) were measured by a modified Rose type still under 101.3 kPa. Both the Fredenslund test and Redlich–Kister area test were employed to verify the consistency of the experimental data. Besides, the experimental isobaric VLE data were correlated by Wilson, nonrandom two-liquid, and universal quasi-chemical models, and the corresponding parameters were obtained accordingly. All three models showed good agreement with the experimental data, and among which the Wilson model performed slightly better than the others.
研究领域:
化学工程
·
物理化学
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DOI
高影响因子
Energy Technology
·
2018
·Vol. 6
·期 11
·2172-2178
·
IF 3.175
Aiye Wang,Wenhui Yuan,Jiaxin Fan,Li Li
Rechargeable dual-ion batteries are considered to be potential candidates for applications in electrochemical energy storage devices. Ionic liquid is one of the most promising electrolytes due to its superior ionic conductivity and the wide electrochemical window. In this work, a novel dual-graphite battery system was developed based on a pure 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl) imide ionic liquid electrolyte and dual graphite electrodes. The working mechanism of the dual-graphite battery based on a pure ionic liquid electrolyte without any metallic elements was proposed and investigated in detail. The cell delivers a reversible specific capacity of 49 mAh g −1 at a current density of 50 mA g −1 , a high Coulombic efficiency of approximately 97.4 % and a fine cycling stability at high cut-off voltage 4.6 V over 100 cycles. Moreover, the dual-ion battery system, which is made entirely of non-metallic elements, exhibits a high and obvious discharge voltage plateaus at about 3.7 V. These results encourage the further development of new types of futuristic rechargeable non-metallic battery energy storage systems.
研究领域:
电化学
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能源材料
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储能技术
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物理化学
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先进电池
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DOI
高影响因子
Catalysts
·
2024
·Vol. 14
·期 12
·939
·
IF 3.8
Yuting Sun,Xinyu Chang,Junling Zhan,Chongyao Bi,Zhehan Dong,Shuaishuai Sun,Mingjun Jia
To synthesize high-quality TS-1 zeolites with enhanced catalytic performance for 1-hexene epoxidation is highly attractive for meeting the increased need for sustainable chemistry. Herein, we report that a series of framework Ti-enriched TS-1 zeolites with high crystallinity can be effectively synthesized by the hydrothermal crystallization of a composite precursor composed of diol-based polymer (containing titanium and silicon) and tetrapropylammonium bromide (TPABr). The pre-addition of a certain amount of TPABr into the polymer-based precursor plays a very positive role in maintaining the high crystallinity and framework Ti incorporation rate of TS-1 zeolites under the premise that a relatively low concentration of tetrapropylammonium hydroxide (TPAOH) template is adopted in the following hydrothermal crystallization process. The condition-optimized TS-1 zeolite with a smaller particle size (300–500 nm) shows excellent catalytic activity, selectivity, and recyclability for the epoxidation of 1-hexene with H2O2as an oxidant, which can achieve a 75.4% conversion of 1-hexene and a 99% selectivity of epoxide at a reaction temperature of 60 °C, which is much better than the TS-1 zeolites reported in the previous literature. The relatively small particle size of the resultant TS-1 crystals may enhance the accessibility of the catalytically active framework Ti species to reagents, and the absence of non-framework Ti species, like anatase TiO2, and low polymerized six-coordinated Ti species could effectively inhibit the ineffective decomposition of H2O2and the occurrence of side reactions, leading to an improvement in the catalytic efficiency for the epoxidation of 1-hexente with H2O2.
研究领域:
材料科学
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催化化学
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DOI
高影响因子
MICROPOROUS AND MESOPOROUS MATERIALS
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2021
·
IF 5.455
Min Zhang,Shenyong Ren,Qiaoxia Guo,Baojian Shen
TS-1 is a typical microporous zeolite , which is hindering the timely diffusion of reaction products and is likely to cause secondary side reactions in heterogeneous catalytic reaction due to the micropore size. However, zeolite TS-1 with hierarchical pores of micropores and mesoporous/macropores can solve this problem to a great extent. In view of this, hierarchical zeolite TS-1 is synthesized by using tetrapropylammonium hydroxide (TPAOH) as structure directing agent and polyacrylamide (PAM) as a hierarchical pore-directing template. The texture property of hierarchical TS-1 can be optimized by changing the amount of PAM in the synthesis gel. With the increase of PAM content, the pore volume and specific surface area of the hierarchical zeolite TS-1 increases. Compared with the conventional TS-1, the hierarchical TS-1 samples have obvious pore size distribution in the range of 20–80 nm. It is interesting that the particle size of TS-1 decreases after adding PAM. When the hierarchical TS-1 is applied to the epoxidation reaction of 1-hexene with H 2 O 2 , the selectivity of the desired product 1,2-epoxyhexane is significantly increased.
研究领域:
催化
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材料科学
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化学工程
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DOI
高影响因子
CRYSTENGCOMM
·
2016
·Vol. 18
·期 21
·3842-3849
·
IF 3.849
Chunping Gao,Qi Shi,Jinxiang Dong
The performance of two hydrophobic zeolitic imidazolate frameworks, MAF-6 and TIF-1 Zn, in adsorptive separation of 1-butanol from acetone–butanol–ethanol model fermentation broth was studied and compared to the data reported for ZIF-8. It was found that, in single-component systems, the adsorption capacities of ZIF-8 and MAF-6 were larger than that of TIF-1 Zn, mainly because of their larger pore volume; however, the time necessary to reach equilibrium was shorter when TIF-1 Zn with a larger pore aperture was used. In breakthrough experiments, it was shown that the adsorptive separation mechanism on ZIF-8 and MAF-6 was based on combined thermodynamics and kinetic effects; on TIF-1 Zn, thermodynamic adsorption took place.
研究领域:
生物工程
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化学工程
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DOI
高影响因子
JOURNAL OF BIOTECHNOLOGY
·
2019
·
IF 3.163
Fei Peng,Ying Zhao,Fang-Zhou Li,Xiao-Yang Ou,Ying-Jie Zeng,Min-Hua Zong,Wen-Yong Lou
The asymmetric resolution of racemic 1-phenyl-1,2-ethanediol (PED) to ( S )-PED by Kurthia gibsonii SC0312 ( K. gibsonii SC0312) was conducted in a biphasic system comprised of an organic solvent and aqueous phosphate buffer. The impacts of organic solvents on the whole cell catalytic activity, metabolic activity, membrane integrity, and material distribution were first evaluated. The results showed that all organic solvents, except for dibutyl phthalate, showed a detrimental effect on the metabolic activity of the cells, especially for those with low log P values. All organic solvents were capable of changing the membrane permeability and membrane integrity of the cells. Moreover, some organic solvents showed a good extraction of the oxidation product. Finally, a high yield of 47.7 % of ( S )-PED was obtained by the asymmetric resolution of racemic PED using K. gibsonii SC0312 in a biphasic system under the optimal conditions: racemic PED 120 mM, temperature 35 °C, reaction time 6 h, 180 rpm, and a volume ratio of dibutyl phthalate to aqueous phosphate buffer of 1:1. The optical purity of ( S )-PED increased from 51.3 % to >99 %. This work described an efficient approach to improve reaction efficiency, and constructed a highly effective biphasic reaction system for the fabrication of ( S )-PED via K. gibsonii SC0312.
研究领域:
生物化学
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微生物学
·
有机合成
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF HEADACHE AND PAIN
·
2022
·Vol. 23
·期 1
·1-14
·
IF 8.588
Pan Qi,Wang Yunfeng,Tian Ruimin,Wen Qianwen,Qin Guangcheng,Zhang Dunke,Chen Lixue,Zhang Yixin,Zhou Jiying
Background Central sensitization is an important pathophysiological mechanism of chronic migraine (CM), and microglia activation in trigeminocervical complex (TCC) contributes to the development of central sensitization. Emerging evidence implicates that blocking sphingosine-1-phosphate receptor 1 (S1PR1) can relieve the development of chronic pain and inhibit the activation of microglia. However, it is unclear whether S1PR1 is involved in the central sensitization of CM. Therefore, the purpose of this study is to explore the role of S1PR1 and its downstream signal transducers and activators of transcription 3 (STAT3) signaling pathway in the CM, mainly in inflammation.Methods Chronic intermittent intraperitoneal injection of nitroglycerin (NTG) established a mouse model of CM. First, we observed the changes and subcellular localization of S1PR1 in the trigeminocervical complex (TCC). Then, W146, a S1PR1 antagonist; SEW2871, a S1PR1 agonist; AG490, a STAT3 inhibitor were applied by intraperitoneal injection to investigate the related molecular mechanism. The changes in the number of microglia and the expression of calcitonin gene-related peptide (CGRP) and c-fos in the TCC site were explored by immunofluorescence. In addition, we studied the effect of S1PR1 inhibitors on STAT3 in lipopolysaccharide-treated BV-2 microglia.Results Our results showed that the expression of S1PR1 was increased after NTG injection and S1PR1 was colocalized with in neurons and glial cells in the TCC. The S1PR1 antagonist W146 alleviated NTG-induced hyperalgesia and suppressed the upregulation of CGRP, c-fos and pSTAT3 in the TCC. Importantly, blocking S1PR1 reduced activation of microglia. In addition, we found that inhibiting STAT3 signal also attenuated NTG-induced basal mechanical and thermal hyperalgesia.Conclusion sOur results indicate that inhibiting S1PR1 signal could alleviate central sensitization and inhibit microglia activity caused by chronic NTG administration via STAT3 signal pathway, which provide a new clue for the clinical treatment of CM.
研究领域:
神经科学
·
药理学
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疼痛研究
·
分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
POLYHEDRON
·
2024
·
IF 2.4
An-Na Chen,Yan-Ling Deng,Chun-Yang Pan
Two imidazole-based ligand-nickel borates, [Ni(1-ipIM) 3 ·B 6 O 7 (OH) 6 ]·[H 3 BO 3 ]·2·.5H 2 O ( 1 , 1-ipIM = 1-isopropylimidazole) and [Ni(1-pIM) 6 ]·[B 5 O 6 (OH) 4 ]·2H 2 O ( 2 , 1-pIM = 1-propylimidazole) have been synthesized and structurally characterized by single-crystal X-ray diffraction, PXRD, FTIR. The oxoboron cluster structures of 1 and 2 were modulated through changing the carbon-branched structure on the N -site of the imidazole-based ligand using metallic nickel as the central atom. It is noteworthy that the structure of 1 is a hybridized skeleton formed by N -Ni-O-B bonds. The electrocatalytic oxygen reduction reaction (ORR) activity of these borate-based catalysts was investigated. The half-wave potential ( E 1/2 ) values of 1 -based and 2 -based were about 0.825 and 0.80 V, respectively.
研究领域:
无机化学
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电化学
·
催化
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产品关联
DOI
高影响因子
JOURNAL OF EXPERIMENTAL & CLINICAL CANCER RESEARCH
·
2024
·Vol. 43
·期 1
·1-22
·
IF 11.4
Tu Xiaoxuan,Chen Longxian,Zheng Yi,Mu Chenglin,Zhang Zhiwei,Wang Feiyu,Ren Yiqing,Duan Yingxin,Zhang Hangyu,Tong Zhou,Liu Lulu,Sun Xunqi,Zhao Peng,Wang Lie,Feng Xinhua,Fang Weijia,Liu Xia
Background The paucity of reliable biomarkers for predicting immunotherapy efficacy in patients with advanced hepatocellular carcinoma (HCC) has emerged as a burgeoning concern with the expanding use of immunotherapy. This study endeavors to delve into the potential peripheral biomarkers capable of prognosticating efficacy in HCC patients who are poised to receive anti-PD-1 monotherapy within the phase III clinical trial, KEYNOTE394. Additionally, we sought to elucidate the underlying molecular mechanisms for resistance to immune checkpoint blockade (ICB) and propose innovative combination immunotherapy strategies for future clinical application.Methods Patient blood samples were collected for single-cell RNA sequencing to evaluate the immune cell signature before receiving ICB therapy. Subsequently, in vitro assays and in vivo murine model experiments were conducted to validate the mechanism that S100A9+CD14+ monocytes play a role in ICB resistance.Results Our study demonstrates a notable enrichment of S100A9+CD14+ monocytes in the peripheral blood of patients exhibiting suboptimal responses to anti-PD-1 therapy. Moreover, we identified the Mono_S100A9 signature as a predictive biomarker, indicative of reduced efficacy in immunotherapy and decreased survival benefits across various tumor types. Mechanistically, S100A9 activates PD-L1 transcription by directly binding to the CD274 (PD-L1) gene promoter, thereby suppressing T-cell proliferation and cytotoxicity via the PD-1/PD-L1 axis, consequently diminishing the therapeutic effectiveness of subsequent anti-PD-1 treatments. Furthermore, our in vivo studies revealed that inhibiting S100A9 can synergistically enhance the efficacy of anti-PD-1 drugs in the eradication of hepatocellular carcinoma.Conclusion sOur study underscores the significance of S100A9+CD14+ monocytes in predicting inadequate response to ICB treatment and provides insights into the monocyte cell-intrinsic mechanisms of resistance to ICB therapy. We also propose a combined therapeutic approach to enhance ICB efficacy by targeting S100A9.
研究领域:
肿瘤学
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免疫学
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分子生物学
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临床试验
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产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）