INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2021
·Vol. 22
·期 16
·8668
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IF 5.924
Jie Li,Shiyi Wang,Huayin Li,Yuan Tan,Yunjie Ding
The synthesis of ester compounds is one of the most important chemical processes. In this work, Zn-Mg-Al mixed oxides with different Zn2+/Mg2+molar ratios were prepared via co-precipitation method and supported gold nanoclusters to study the direct oxidative esterification of aldehyde and alcohol in the presence of molecular oxygen. Various characterization techniques such as N2-physical adsorption, X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and CO2temperature programmed desorption (TPD) were utilized to analyze the structural and electronic properties. Based on the results, the presence of small amounts of Zn2+ions (~5 wt.%) provoked a remarkable modification of the binary Mg-Al system, which enhanced the interaction between gold with the support and reduced the particle size of gold. For oxidative esterification reaction, the Au25/Zn0.05MgAl-400 catalyst showed the best performance, with the highest turnover frequency (TOF) of 1933 h−1. The active center was believed to be located at the interface between metallic gold with the support, where basic sites contribute a lot to transformation of the substrate.Keywords:gold catalyst;cluster;hydrotalcite;oxidative esterification;methyl isobutyrate
研究领域:
化学工程
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催化材料
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DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2018
·
IF 2.631
Qian Zeng,Biao Hu,Hongye Cheng,Lifang Chen,Junmei Huang,Zhiwen Qi
Isobutyl isobutyrate is an important chemical which can be formed in a reactive extraction process with ionic liquid as dual solvent-catalyst. To design such an intensified process, the liquid-liquid equilibria (LLE) data for the esterification system involving ionic liquid are essential. In this work, the LLE of ternary systems {isobutyl isobutyrate (IBIBE) + isobutyric acid (IBAc) or isobutanol (IBOH) + 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIm][HSO 4 ])} and the quinary system {IBAc + IBOH + IBIBE + H 2 O + [BMIm][HSO 4 ]} were measured at temperature T = (298.2, 323.2 and 353.2) K, T = (323.2, 333.2, 343.2 and 353.2) K and atmospheric pressure, respectively. Based on the experimental data, the solute distribution coefficient and the selectivity were determined, which confirms the feasibility of the ionic liquid for isobutyl isobutyrate formation. The phase behaviour was explained by the molecular interaction using σ -potential analysis. Moreover, the binary parameters of the NRTL model for [BMIm][HSO 4 ] catalysed isobutyl isobutyrate formation system were fitted.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2023
·
IF 2.6
Jun Wang,JiaRui Sun,Ming Shang,Chunxiang Huang,XinSheng Rui
Isobaric vapour-liquid equilibrium (VLE) data for binary systems containing propionic acid (PA) + 1,4-butyrolactone (GBL), butyric acid (BA) + GBL, and PA + BA at 15.0 kPa were measured by using a modified Othmer still. VLE data show that these binary systems are all positive deviation solutions unlike the ideal system. The Herington area test was conducted to confirm the thermodynamic consistency of these binary systems, and positive results were obtained. The interaction energy ( E inter ) between these components was calculated by molecular simulation to explain the VLE behaviors. Simulation results showed that strongly interacting dihydrogen bonds can form between these acids, which indicated that stable dimer should be present in the vapour phase. In addition, the associating behavior in vapour was corrected using chemical theory, and the activity coefficients of liquid were correlated by the Wilson, the NRTL, and the UNIQUAC models. The correlated results agree well with the experimental values.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2025
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IF 8
Miao Hu,Yaxin Gao,Weimin Meng,Pengfei Zhang,Jiao Wang,Zifan Yuan,Bei Fan,Fengzhong Wang,Shuying Li
Bacillus subtilis is the primary strain used in fermented soy products. The applicant fermented soymilk with the laboratory strain B. subtilis BSNK-5 to enhance nutrient density. However, prolonged fermentation caused rapid deterioration in flavor, resulting in an off-flavor poorly accepted by consumers, limiting its industrial application. Studies identified isovaleric acid (IVA), isobutyric acid (IBA), and 2-methylbutyric acid (2-MBA) as the main off-flavor compounds. The mechanism controlling off-flavor release remains unclear. Therefore, soybean protein was used as a model to investigate off-flavor release by analyzing binding percentage, physicochemical properties, conformation, and interaction forces. The modification of off-flavor by phenolic compounds was also examined. Results showed that soybean protein bound over 90 % of the flavor compounds, including a 98.6 % binding rate for IVA. Binding between soybean protein and off-flavor compounds was confirmed by the formation of large aggregates, decreased surface hydrophobicity, and a structural transformation from α-helix to β-sheet. Hydrogen bonds and hydrophobic interactions were identified as the primary interaction forces. Adding phenolic compounds significantly reduced soybean protein binding to flavor compounds. Phenolic compounds had a stronger binding affinity to soybean protein compared to flavor compounds and occupied binding sites on soybean protein, preventing flavor compound binding. L-epicatechin, (−)-epicatechin gallate, and epigallocatechin-3-gallate primarily occupied binding sites for 2-MBA, while ferulic acid, chlorogenic acid, and caffeic acid occupied sites for IVA, IBA, and 2-MBA. This research aids in controlling flavor release by soybean protein in food systems, supporting the development of nutrient-rich fermented foods.
研究领域:
食品科学
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微生物学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
·
2025
·
IF 4.9
Yuhang Wang,Jiang Yu,Xuejing Li,Haolin Zhang,Tengfei Zhou,Yiguo Jiang,Yongjun Wang
Inflammatory arthritis primarily involves rheumatoid arthritis (RA) and inflammatory osteoarthritis (OA), both characterized by shared inflammation in the articular joints and cartilage degeneration. These conditions lead to joint pain, loss of function, and a decline in quality of life. Triamcinolone acetonide (TA), an intermediate-acting synthetic glucocorticoid, is widely used as an anti-inflammatory agent for the treatment of inflammatory arthritis. However, its clinical application faces challenges such as rapid clearance from the joint cavity following intra-articular (IA) administration, the risk of joint damage with repeated injections, and the invasive nature of the IA injection route. To address these drawbacks, we propose sucrose acetate isobutyrate (SAIB), a biocompatible matrix, as a promising strategy for sustained drug release via intramuscular (IM) injection. Building on this approach, we designed a gallic acid-modified triamcinolone acetonide derivative (TA-GA) and incorporated it into the SAIB matrix to create the TA-GA-SAIB depot. The modification of TA with gallic acid (GA) effectively mitigates the burst release commonly observed in SAIB formulations, attributed to hydrogen bonding interactions between TA-GA and the SAIB matrix. Benzyl alcohol (BA) was selected as the optimal solvent to achieve minimal burst release during the in vitro drug release study. The TA-GA-SAIB depot exhibited sustained in vivo drug release, enhanced anti-inflammatory effects, and significant improvement in cartilage damage, along with excellent safety and biocompatibility. The synergy between the SAIB matrix and TA-GA not only enables sustained drug release but also improves therapeutic efficacy, making it a promising system for the treatment of inflammatory arthritis via intramuscular administration.
研究领域:
药学
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炎症免疫学
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产品关联
DOI
高影响因子
Research
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2025
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IF 10.7
Ningning He,Mengjie Mu,Xiaofang Li,Qingyuan Hao,Kaiwei Chen,Xinnan Zhao,Yang Sun,Haoyu Wang,Zhinan Wu,Hewei Liang,Mengmeng Wang,Liang Xiao,Tao Yu,Zhi-Peng Wang,Jixing Peng,Yuanqiang Zou,Shangyong Li
Antibiotic cocktails (ABX) serve as potent therapeutic interventions for refractory ulcerative colitis (UC), yet invariably induce gut dysbiosis. This study demonstrates that pectin oligosaccharides synergistically enhance ABX efficacy by restoring gut microbiota balance and selectively enriched antibiotic-resistant Parabacteroides goldsteinii in a colitis mouse model. Our results further indicate that the gavage administration of P. goldsteinii AM58-2XD markedly alleviated colitis via enhancing the branched-chain amino acid metabolic pathway, particularly by facilitating valine metabolism. Notably, these anticolitis effects were partially attenuated in P. goldsteinii ΔilvE mutants, which are defective in valine-derived isobutyrate (IBN) biosynthesis. We further demonstrated that exogenous IBN supplementation effectively alleviated colitis symptoms in mice and enhanced gut barrier function via activation of the peroxisome proliferator-activated receptor γ (PPARγ) pathway. Conditional knockout of PPARγ in Caco-2 intestinal epithelial cells markedly abrogated the IBN-induced enhancement of tight junctions, thereby substantiating the critical role of the IBN-PPARγ pathway in metabolite-mediated mucosal repair. Collectively, we delineate a prebiotic/probiotic–metabolite axis wherein P. goldsteinii facilitates mucosal repair via IBN/PPARγ-dependent epithelial metabolic reprogramming. This insight redefines antibiotic-resistant commensals as precise biotherapeutics for microbiota restoration in refractory UC management.
研究领域:
微生物组学
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炎症性肠病
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代谢生物学
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黏膜免疫
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转化医学
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肠道微生态
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产品关联
DOI
PubMed
高影响因子
Animal Production Science
·
2018
·Vol. 59
·期 3
·471-478
·
IF 1.371
C. Wang,Q. Liu,G. Guo,W. J. Huo,Y. X. Wang,Y. L. Zhang,C. X. Pei,S. L. Zhang,C. Wang,Q. Liu,G. Guo,W. J. Huo,Y. X. Wang,Y. L. Zhang,C. X. Pei,S. L. Zhang
The objective of the present study was to evaluate the effects of fibrolytic enzymes (FE, containing 160 units of cellulase and 4000 units of xylanase) or isobutyrate (IB) supplementation on ruminal fermentation, microbial enzyme activity and cellulolytic bacteria in dairy calves. Forty-eight Holstein bull calves of 15 days of age and of 44.9 ± 0.28 kg of BW were randomly assigned to four groups in a 2 × 2 factorial arrangement. Two levels of FE (0 g (FE–) or 1.83 g per calf per day (FE+)) and IB (0 g (IB–) or 6 g per calf per day (IB+)) were added. Calves were weaned at 60-day-old and four calves were selected from each treatment at random and slaughtered at 45 and 90 days of age. There was no IB × FE interaction effect. Ruminal pH decreased with IB or FE supplementation for post-weaned calves, whereas concentrations of total volatile fatty acids and acetate increased with IB or FE supplementation for pre- and post-weaned calves. Acetate to propionate ratio increased with IB supplementation, but was unaffected by FE supplementation. Ammonia-N concentration decreased with IB or FE supplementation for pre- and post-weaned calves. For post-weaned calves, activities of CMCase increased with IB or FE supplementation, and activities of cellobiase, xylanase, pectinase, β-amylase and protease increased with IB supplementation. Populations of B. fibrisolvens and F. succinogenes for pre- and post-weaned calves and R. flavefaciens for post-weaned calves increased with IB or FE supplementation. It is suggested that ruminal fermentation and growth performance of calves was improved with IB and FE supplementation, and the combination of IB and FE has the potential to stimulate the growth of pre- and post-weaned dairy calves.
研究领域:
动物科学
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微生物学
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营养学
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DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2025
·
IF 3.1
Lin Chen,Han Huang,Xiali Liu,Peijing Zhao,Biao Zhou
A novel oxyphenisatin analogue was identified in a type of jelly candy during routine inspections of food products marketed for weight-loss purposes. Through analysis utilizing ultra-high-performance quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap-HRMS), the fragment ions at m/z 258 and 195 observed in the MS/MS experiments were found to be consistent with those of 4-Chloro-oxyphenisatin diacetate. It was inferred that the unknown compound is likely a derivative of 4-Chloro-oxyphenisatin diacetate. The candy was separated and purified by column chromatography, and the purified compound was determined to be 96.4 % by high-performance liquid chromatography (HPLC). Subsequently, the structure was confirmed through nuclear magnetic resonance (NMR) spectroscopy. Based on the data, it was concluded that the structure of the unknown compound involved the substitution of two symmetrical acetyl groups in the 4-chloro-oxyphenisatin diacetate molecule with two isobutyl groups. Ultimately, the novel oxyphenisatin analogue was identified as (5-chloro-2-oxoindolin-3,3-ylidene) bis (4,1-phenylbutan-2-yl) diisobutyrate and designated as 4-Chloro-oxyphenisatin diisobutyrate. Finally, a quantitative analysis of the novel unknown compound in the jelly candy revealed a concentration of 6 mg per pellet. Based on the recommended daily consumption of one pellet, as indicated on the product packaging, the level of illegal additives may lead to diarrhoea and consequently poses a risk to human health. To the best of our knowledge, this represents the first report on the identification of 4-Chloro-oxyphenisatin diisobutyrate.
研究领域:
药物化学
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食品安全
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分析化学
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产品关联
DOI
PubMed
高影响因子
Frontiers in Microbiology
·
2023
·
IF 5.2
Huan-Huan Chen,Qi-Jun Wu,Tie-Ning Zhang,Yu-Hong Zhao
Background The association between gut microbes and short-chain fatty acids (SCFAs) and therapeutic responses of patients with lung cancer (LC) receiving therapy remains unknown. Methods Fecal and serum samples were prospectively collected from patients with LC, classified as responders, if they presented durable clinical benefits, and non-responders, if not. The composition of gut microbes was analyzed using 16S ribosomal DNA sequencing. Serum SCFA concentrations were detected using gas chromatography. Cell proliferation, migration, invasion, cell cycle, and apoptosis assays were performed on isobutyric acid-treated A549 cells. Reverse transcription-quantitative PCR, Western blotting, immunocytochemistry, and immunofluorescence staining experiments have been performed to investigate the expression of associated genes or proteins. Results Non-responders harbored higher microbiome α-diversity but lower β-diversity compared with responders. Compared to the patients with low α-diversity, those with high α-diversity showed significantly shorter progression-free survival. Additionally, β-diversity has also been observed between these two groups. Specifically, Parasutterella, Clostridiaceae , and Prevotella_7 were more abundant among responders, whereas Bacteroides_stercoris and Christensenellaceae_R-7_group were more abundant in non-responders. The serum SCFA (especially acetate and isobutyrate) levels tended to be higher in responders. Isobutyric acid inhibited the proliferation, migration, and invasion of A549 cells by inducing apoptosis and G1/S arrest while upregulating the expression of GPR41, GPR43, and GPR5C and downregulating that of PAR1, and increasing the activity of histone acetyltransferases. Conclusion We revealed the influence of gut microbiota and SCFAs on the therapeutic responses in patients with LC and the anti-tumor effect of isobutyric acid, indicating their potential use as therapeutic targets.
研究领域:
肿瘤学
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微生物学
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药理学
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分子生物学
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产品关联
DOI
PubMed
高影响因子
ADVANCED FUNCTIONAL MATERIALS
·
2023
·Vol. 33
·期 24
·2214274
·
IF 19
Shenghao Jing,Huaqing Shen,Yuting Huang,Wuqi Kuang,Zongliang Zhang,Siliang Liu,Shuo Yin,Yanqing Lai,Fangyang Liu
Sulfide-based all-solid-state batteries (ASSBs) have a wide application prospect because of the advantages of higher energy density and better intrinsic safety over conventional lithium-ion batteries (LIBs). The compatibility of sulfide-based electrolytes with various organic solvents and the possibilities of the slurry coating process with these systems remain veiled that limits the large-scale fabrication of sulfide-based ASSBs. In this study, polyvinylidene fluoride (PVDF) binder and isobutyl isobutyrate (IBB) are selected as the combination of binder and solvent to achieve scalable slurry process after examining the chemical and electrochemical compatibility of Li 6 PS 5 Cl (LPSC) solid electrolyte, PVDF, and IBB. A comparative investigation of sheet-type LiNi 0.83 Co 0.11 Mn 0.06 O 2 (NCM811) electrodes and pellet-type NCM811 electrodes shows that PVDF hinders the transport of Li + and electron, but it benignantly works as a buffer layer, which alleviates the side reaction in the composite cathode electrode. Further, PVDF is modified by LiClO 4 to facilitate interfacial Li + transport, which improves the capacity retention of the cell at 0.5 C to 97.05% after 100 cycles. Finally, NCM811/graphite full-cell is successfully fabricated by the slurry coating process, which demonstrates the feasibility of practical and scalable fabrication of sulfide-based ASSBs with slurry process and its performance enhancement effect via LiClO 4 modification.
研究领域:
材料科学
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电化学
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电池技术
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2024
·
IF 2.2
Erkang Li,Jiajun Wei,Lei Li,Xinlei Niu,Yulin Shao,Yingmin Yu
To prevent the wastewater containing 2-ethoxyethanol (2EE) from causing environmental pollution and economic waste, liquid–liquid extraction was used to recover 2-ethoxyethanol from wastewater in this study. The liquid–liquid equilibrium behavior of water + 2-ethoxyethanol + four solvents (propyl acetate, isopropyl acetate, n-butyl acetate, and isobutyl acetate) was investigated at 303.2 K and atmospheric pressure. The distribution coefficient ( D ) and separation factor ( S ) were used to compare and discuss the extraction efficiency of each system. The results indicated that all esters could effectively separate 2-ethoxyethanol from water. Among them, isobutyl acetate exhibited the highest values for D and S , demonstrating its superior separation capability. The experimental data were correlated with the thermodynamic model and interaction parameters were obtained. These parameters were verified using the GUI-MATLAB tool, and all four systems passed validation, confirming the reliability of the obtained binary interaction parameters. Furthermore, the root mean square deviation ( RMSD ) was used to assess the deviation between the experimental and regression values. The RMSD values for the NRTL and UNIQUAC models were 0.008 and 0.007, respectively. The interactions between 2-ethoxyethanol and water or esters were explored using σ-Profile, and it was found that esters with a branched chain structure provided better extraction. To explain the properties of the extractants microscopically, the interaction energies between 2-ethoxyethanol molecules and water or ester molecules, as well as the non-bonding energies of 2-ethoxyethanol in different media, were calculated.
研究领域:
环境工程
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化学工程
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热力学
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物理化学
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产品关联
DOI
高影响因子
npj Precision Oncology
·
2025
·Vol. 9
·期 1
·1-15
·
IF 8
Huo Ran,Xu Quan-guo,You Yi-qing,Chen Yan-lin,Su Guang-jian,Yang Kun-rong,Xiao Yan-ping,Xue Zhong,Li Yang-jin,Sun Pei,Cui Zhao-lei,Lin Ying-ying,Guo Jun-ying,Xu Hai-yan,Chen Zhao-shuo,Xie Wen-ting,Xu Shao-hua,Chen Min-yong,Wu Jing,He Shi-jie,Xiao Zhen-zhou,Chen Yan
Hepatocellular carcinoma (HCC) is a prevalent and deadly cancer. Gut microbiota affect tumor immunity and immunotherapy efficacy, but the exact mechanisms are unclear. A study compared gut microbiota in HCC patients and healthy controls (HC) using 16S rDNA analysis and metabolomics. It found higher levels of Bifidobacterium and a positive correlation between Bifidobacterium and isobutyric acid in HC group. Animal models showed that the combination of HC fecal matter and αPD-1 treatment reduced tumor volume more effectively than the combination of HCC fecal matter and αPD-1. The combination of Bifidobacterium or isobutyrate with αPD-1 also decreased tumor size. In vitro, isobutyrate-stimulated CD8 + T cells increased IFN-γ secretion, suppressed liver cancer cells, and downregulated the JAK/STAT3 pathway. Combined treatments increased CD8 + T cells and IFN-γ levels and reduced JAK/STAT3 signaling in the tumor microenvironment. This suggests that Bifidobacterium and isobutyrate can inhibit tumor growth, offering insights into gut microbiota-host interactions and potential strategies to overcome HCC immunotherapy resistance.
研究领域:
癌症研究
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免疫学
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微生物学
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分子生物学
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胃肠病学
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生物信息学
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药理学
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细胞生物学
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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）