Food Bioscience
·
2022
·
IF 5.318
Siqian Shi,Hang Yu,Fangwei Yang,Weirong Yao,Yunfei Xie
Nitroimidazoles are a family of veterinary drugs containing a 5-nitroimidazole ring structure, which are commonly used antibiotics. In view of their potential genotoxicity and possible coexistence in actual samples, it is necessary to establish a rapid and effective method for the simultaneous determination of multiple nitroimidazoles. In this study, a rapid thin-layer chromatography combined with surface-enhanced Raman spectroscopy (TLC-SER) detection method for 14 nitroimidazole compounds has been established. The theoretical Raman spectra of the nitroimidazoles were calculated using the B3LYP/6-311+G(d) basis set in density functional theory (DFT) and the theoretical Raman spectra of TNZ , NBZ, ONZ , SCZ, DMZ , MNI, 2-HMZ, 4-HMZ, CMNI, IPZ , MNZ-OH and HMDMZ have been obtained for the first time. SERS detection was carried out on a gold nanoparticles (AuNPs) substrate, which exhibited strong SERS signals and a limit of detection limit of 0.1 mg/L. By optimizing the conditions used for the developing agent in TLC, 12 nitroimidazoles were successfully separated, while MNZ and RNZ still could not be separated. When combined with the chemometrics analysis method, the TLC-SERS method can realize the simultaneous detection of 14 nitroimidazoles. Actual pork samples were spiked with nitroimidazoles with a recovery rate of 80%–110% and RSD of 0.74%–16.70%, which showed that SERS and TLC-SERS methods are also effective for detection in actual samples. The detection time of this method is < 10 min, which is suitable for the rapid detection of nitroimidazoles, especially for the rapid qualitative identification of nitroimidazoles in situ.
研究领域:
分析化学
·
兽医学
·
食品安全
✓ 已验证
DOI
高影响因子
MOLECULES
·
2025
·Vol. 30
·期 4
·775
·
IF 4.6
Hongyang Guo,Jianwu Chen,Guangjun Jiang,Yuqing Mei,Zhiqiang Gong,Mingdian Liu,Jinping Li,Jinhua Gan
In this study, an analytical method for the simultaneous determination of 14 benzodiazepine (BDZ) multiresidues in aquaculture environmental water and sediment was developed using ultra-high-performance liquid chromatography–tandem mass spectrometry (UHPLC-MS/MS). The method uses an internal standard for quantification and achieves chromatographic separation and analysis within 11 min. The results of method validation showed that the recoveries of most analytes were in the range of 70–120% in water or sediment matrices, and the correlation coefficients of the 14 target chemistries were R 2 > 0.99, with relative standard deviations (RSD) < 15%. The limits of detection (LODs) and the limits of quantification (LOQs) were in the ranges of 0.002–0.01 μg/L and 0.01–0.03 μg/L for water and 0.01–0.5 μg/kg and 0.04–1 μg/kg for the sediment matrix. The method is simple and has high rapidity, high sensitivity, and low cost. It provides technical support for the simultaneous monitoring of BDZ residues in the aquaculture environment.
研究领域:
环境科学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Xinyi Lü,Xiaotong Yang,Xiaoli Wu,Jidong Wang,Zhong Zhao
In this paper, the solubility of menadiol diacetate in nine alcohols (methanol, ethanol, n-propanol, i-propanol, n-butanol, i-butanol, n-amyl alcohol, i-amyl alcohol, and cyclohexanol) and five n-alkyl acetates (methyl acetate, ethyl acetate, n-propyl acetate, n-butyl acetate, and amyl acetate) was experimentally measured with the aid of a laser dynamic device at temperatures from 283.15 to 323.15 K. The solubility of menadiol diacetate as a function of temperature was regressed in terms of three semiempirical solubility models (Apelblat, van’t Hoff, and λh), two activity coefficient solubility models (Wilson and NRTL), and the Jouyban model. The thermodynamic mixing properties (mixing Gibbs energy, entropy, and enthalpy) of the solutions were estimated in terms of the measured solubility data and the regressed parameters of the Wilson model.
研究领域:
药学
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2023
·
IF 2.6
Fanfan Li,Yulu Chen,Yanxun Li,Yameng Wan,Xiaoqiang Gao,Jian Xiao,Shuxiu Ma,Yi Yu
The solid–liquid equilibrium data of 2,3-dichloropyridine(23DCP) in 14 pure solvents were measured making use of the laser dynamic monitoring at 278.15/283.15/288.15 K − 313.15 K with 0.1 MPa. The findings of this study showed that the solubility increase of 23DCP in 14 pure solvents had a positive relation with temperature, and the solubility order was 1,4-dioxane > dichloromethane > n-butyl acetate > ethyl acetate > methyl acetate > acetonitrile > n-butanol > isobutyl alcohol > n-propanol > isopropanol > ethanol > cyclohexane > methanol > n-hexane. The solubility data of 23DCP was operated by seven models (Van't Hoff, modified Apelblat, λh, Yaws, NRTL, NRTL-SAC, Wilson) to correlate. And the average ARD values were 1.684 %,1.058 %, 1.031 %, 0.905 %, 0.937 %, 1.012 %, 2.062 % and the average 10 3 RMSD values were 1.978, 1.396, 1.542, 1.221, 1.758, 1.658 and 1.883, respectively. In addition, Hansen solubility parameters were well evaluated to appraise the miscibility of 23DCP in 14 pure solvents. And the interactions between molecules were studied by means of molecular electrostatic potential surface, Hirshfeld surface analysis and density functional theory calculation. Finally, according to Van't Hoff equation, Δ sol G °, Δ sol H ° and Δ sol S ° of 23DCP in 14 pure solvents were got. Δ sol H ° and Δ sol S ° were bigger than zero, representing that this was a dissolution process of endothermic and entropy increase.
研究领域:
化学工程
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Ocean University of China
·
2025
·
IF 1.2
Jing Qianqian,Cheng Yajie,Wang Wenhui,Yin Junna,Wei Meiyan,Xu Tongyi,Shao Changlun
Mycobacterium marinum can cause disease in both human beings and fishes. Infected fish exhibits symptoms commonly referred to as fish tuberculosis. In this research, we screened a 14-Membered Resorcylic Acid Lactones (RALs) library constructed in the laboratory for in vitro anti- Mycobacterium marinum activity and found that several compounds, including compounds 3 , 4 , 6 , 10 , and 17 – 26 , showed good activity. Notably, the trace natural product cochilimycin B (compound 3 ) possesses significant long-lasting inhibitory function to Mycobacterium marinum . It also shows synergistic effects with drugs like isoniazid, ethambutol, and bedaquiline ( FICI ≤0.5). In addition, cochilimycin B showed a significant inhibitory effect on the biofilm produced by Mycobacterium marinum , with an inhibition rate of 65.9%. To solve the bottleneck problem of natural product drug sources, we realized an efficient one-step semi-synthetic method to obtain compound 3 with a yield of 32.1%. In vivo , inflammatory changes in BALB/c mice infected with Mycobacterium marinum were characterized. After 12 h of infection, IL-1 β was 20%–30% lower in the spleen and tail of the 3 -treated group compared to the control group. In the thymus and tail of the treated group, TNF- α levels were 30%–60% lower than in the control group. This is the first time that the significant anti- Mycobacterium marinum effect of cochilimycin B from 14-Membered Resorcylic Acid Lactones (14-RALs) was reported, offering a new chemical molecule for anti- Mycobacterium marinum drug research.
研究领域:
微生物学
·
抗生素发现
·
药物化学
·
传染病学
·
天然产物
✓ 已验证
DOI
高影响因子
ChemSusChem
·
2026
·Vol. 19
·期 13
·e70866
·
IF 5.9
Guyu Xiao,Yile Li,Jiayue Lu,Wenli Zhang,Fangbao Fu,Qiyu Liu,Xueqing Qiu,Yuhe Liao
Lignin, the most abundant aromatic biopolymer in nature, holds great promise for carbon-neutral materials development yet is limited by its inherent dark color and poor solvent stability. Transforming it into uniform lignin colloidal spheres (LCSs) with ordered arrays enables specific visible light reflection and thus presents tunable colors. However, industrial lignin-derived LCSs via self-assembly typically exhibit broad size distribution and poor solvent resistance. To address these challenges, we proposed a novel strategy combining solvent fractionation and surface covalent polymerization. Acetone/water fractionation effectively reduced lignin heterogeneity, narrowing LCSs size distribution. Bisphenol A diglycidyl ether (BADGE) was used as cross-linker to covalently polymerize hydroxyl groups, inhibiting LCSs dissolution. Two hybrid LCSs were fabricated: hy-LCSs via co-self-assembly of lignin and BADGE and hy@LCSs through subsequent surface cross-linking. Hy-LCSs20 (20 wt% BADGE) shows stability in pH 12 alkali and acetone/water, while hy@LCSs70 exhibited unprecedented alkaline resistance up to pH 14, far exceeding the highest reported value of pH 12 for lignin colloidal spheres to date. Critically, BADGE incorporation preserved monodispersity of both hy-LCSs20 and hy@LCSs70, enabling precise size control without compromising uniformity. After centrifugation to form ordered structures, both hy-LCSs20 and hy@LCSs70 reflect specific wavelengths with tunable colors, overcoming key barriers in lignin valorization. Graphical This study developed a method to produce lignin-epoxy hybrid colloidal spheres via a co-self-assembly process between fractionated enzymatic hydrolysis lignin and BADGE. The formed hybrid lignin colloidal spheres performed narrow size distribution which can be used as photonic materials, together with an exceptional alkaline resistance (up to pH 14), overcoming key barriers in lignin valorization for sustainable materials.
✓ 已验证
DOI
PubMed
高影响因子
Analytical Methods
·
2026
·
IF 3
Hengyu Xu,Zheyuan Yao,Xianyu Bao,Yina Cai,Xiaobo Zuo,Chifang Peng
A headspace gas chromatography (HS-GC) method using natural deep eutectic solvent (NADES) as a green matrix medium was reported for the simultaneous determination of 14 residual solvents in tea polyphenol products. Through systematically screening, a NADES, choline chloride-glycerol (1:2, mol/mol), was selected as the optimal matrix medium in tea polyphenol dissolution. After the headspace parameters, including equilibrium temperature and time were optimized. A HS-GC method was developed and demonstrated good linearity (R² = 0.9874–0.9995) over 0.005–1000 μg/g. Limits of detection (LODs) and quantification (LOQs) ranged from 0.01 to 0.25 μg/g and 0.03 to 0.83 μg/g, respectively. In spiked tea polyphenol samples, the recoveries from 82.4% to119.0% were obtained with relative standard deviations (RSDs) of 0.14%–4.91%. And the above HS-GC method was utilized to measure 41 commercial tea polyphenol products. The results confirmed that the detected residual solvents in all the samples were below the Permissible Daily Exposure (PDE) limits. Risk assessment based on the hazard quotient (HQ, calculated as the ratio of Daily Intake to PDE) yielded values of 50.8% for benzene and 1.47% for dichloromethane. These results suggest that benzene requires prioritized control as a critical point. And we also should pay attention to dichloromethane. This study provides a green and efficient approach for residual solvent analysis in tea polyphenol products and demonstrates the potential of NADESs as sustainable matrix media in food safety testing.
✓ 已验证
DOI
PubMed
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2026
·
IF 3.9
Yanbo Liu,Mingchuan Zhou,Feng Sun,Bing Sun,Wei Xu
Abstract Although 2,5-furandicarboxylic acid (FDCA) is a key bio-based platform chemical, its solid–liquid phase equilibrium behavior remains insufficiently characterized, limiting rational crystallization process development. Here, FDCA solubility in 14 pure solvents was measured by a dynamic method over 283.15–323.15 K. Molecular simulations were subsequently used to investigate the molecular basis of its dissolution behavior. The results indicate that strong hydrogen-bond acceptor ability, favorable solvation energy, and a small polarity difference promote FDCA dissolution. More importantly, a quality-guided TabPFN workflow for small-sample solubility prediction is proposed, which can predict the solubility of FDCA in unknown solvents with limited data. Compared with three traditional machine-learning models, this workflow demonstrates lower mean squared error (0.03), mean absolute error (0.16), and higher R2 (0.88) on the external validation set. These results provide mechanistic insight and practical guidance for the FDCA crystallization process design.
✓ 已验证
DOI
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2026
·
IF 2.9
Mengyuan Wu,Zhaojie Ji,Yanjiang Dong,Sitong Liu,Shuo Diao,Xintong Wang,Ju Zhao,Boya Zhang,Da Rong,Wenxin Xu,Enli Wang,Rui Niu,He Xiao,Mingming Yu,Zhihua Lv,Sherwin K. B. Sy,Hai Yang
Objectives This study aimed to develop and validate a UHPLC-MS/MS method for the simultaneous determination of 14 constituents related to Renshen Guben Oral Liquid (RSGB) in human plasma and to explore concentration–absolute neutrophil count (ANC) associations in cancer patients with chemoradiotherapy-induced neutropenia (CIN). Methods Candidate constituents were selected by integrating chemical representativeness, disease relevance, reference standard availability, and analytical feasibility, with support from network pharmacology. Plasma samples were collected from 25 patients before administration and at 1 and 2 h after RSGB administration. Samples were processed by liquid–liquid extraction using methyl tert-butyl ether or n-butanol and analyzed by UHPLC-MS/MS. Spearman correlation analysis was used to assess exploratory associations between post-dose concentrations of major quantifiable circulating constituents and ANC change from baseline to Day 15. Results The assay fulfilled predefined bioanalytical acceptance criteria and enabled simultaneous quantification of 14 RSGB-related constituents in human plasma. Ginsenoside Rb1 (G-Rb1), ginsenoside compound K (G-CK), and paeonol (PAE) were the major quantifiable circulating constituents, whereas protopanaxadiol (PPD) and protopanaxatriol (PPT) were only sporadically quantifiable. Exploratory analyses showed positive associations between concentrations of G-Rb1, G-CK, and PAE and ΔANC. Molecular docking provided complementary computational support for potential target interactions. Conclusions G-Rb1, G-CK, and PAE were the major quantifiable circulating RSGB-related constituents within the early sampling window, and their concentrations showed exploratory associations with ANC change. These findings provide complementary in vivo evidence for evaluating RSGB-related constituents.
✓ 已验证
DOI
高影响因子
Molecular Metabolism
·
2024
·
IF 7
Junyong Wang,Yaping Guo,Yunduan He,Yifan Qin,Xiuling Li,Ling Yang,Kangdong Liu,Li Xiao
Objective Nonalcoholic fatty liver disease (NAFLD) is an emerging public health threat as the most common chronic liver disease worldwide. However, there remains no effective medication to improve NAFLD. G protein-coupled receptors (GPCRs) are the most frequently investigated drug targets family. The Regulator of G protein signaling proteins 14 (RGS14), as an essential negative modulator of GPCR signaling, play important regulatory roles in liver damage and inflammatory responses. However, the role of RGS14 in NAFLD remains largely unclear. Methods and Results In this study, we found that RGS14 was decreased in hepatocytes in NAFLD individuals in a public database. We employed genetic engineering technique to explore the function of RGS14 in NAFLD. We demonstrated that RGS14 overexpression ameliorated lipid accumulation, inflammatory response and liver fibrosis in hepatocytes in vivo and in vitro . Whereas, hepatocyte specific Rgs14 -knockout ( Rgs14 -HKO) exacerbated high fat high cholesterol diet (HFHC) induced NASH. Further molecular experiments demonstrated that RGS14 depended on GDI activity to attenuate HFHC-feeding NASH. More importantly, RGS14 interacted with Guanine nucleotide-binding protein (Gi) alpha 1 and 3 (Giα1/3, gene named GNAI1/3 ), promoting the generation of cAMP and then activating the subsequent AMPK pathways. GNAI1/3 knockdown abolished the protective role of RGS14, indicating that RGS14 binding to Giα1/3 was required for prevention against hepatic steatosis. Conclusions RGS14 plays a protective role in the progression of NAFLD. RGS14-Giα1/3 interaction accelerated the production of cAMP and then activated cAMP-AMPK signaling. Targeting RGS14 or modulating the RGS14-Giα1/3 interaction may be a potential strategy for the treatment of NAFLD in the future.
研究领域:
分子生物学
·
药理学
·
肝病学
·
细胞生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2023
·
IF 9.8
Jin J. Li,Min J. Dai,Jun Z. Xue
Exposure to disinfection by-products (DBPs) has been found to induce a range of toxic effects in aquatic organism. Previous studies have consistently demonstrated that a majority of DBPs have the ability to induce in vivo toxicity in aquatic organisms. However, the impact of DBPs on the metabolic processes of Daphnia magna ( D. magna ) and the underlying molecular toxicity mechanisms are still not well understood. Therefore, we investigated the effects of 14 DBPs on two oxidative stress enzymes and malondialdehyde (MDA) levels in D. magna . Additionally, we employed molecular docking to simulate the toxicity of DBPs to D. magna at the molecular level. This comprehensive analysis allowed us to gain further insights into the toxicity of DBPs on D. magna . The results showed that among the aliphatic DBPs, the more bromine substituents, the lower the toxicity effect, and it's opposite in the aromatic DBPs. In the detection of oxidative stress level, catalase (CAT) enzyme and superoxide dismutase (SOD) enzyme in D. magna under compound stress showed a low increase and decrease with the increase of concentration. The level of MDA showed a positive correlation with the concentration. In the last, molecular docking simulations have shown promise in predicting the toxicity of DBPs and providing insights into their toxic effects to a certain extent, and the docking situation of P53 is slightly different. Hence, it is imperative to further regulate the presence of aromatic DBPs due to their pronounced toxic effects on D. magna , and these simulations can be complemented with actual experiments to enhance our understanding of the toxicity mechanisms of DBPs.
研究领域:
环境科学
·
毒理学
✓ 已验证
DOI
PubMed
高影响因子
Nature Communications
·
2021
·Vol. 12
·期 1
·1-12
·
IF 14.919
Han Cuiping,Li Hongfei,Li Yu,Zhu Jiaxiong,Zhi Chunyi
Rechargeable calcium-ion batteries are intriguing alternatives for use as post-lithium-ion batteries. However, the high charge density of divalent Ca 2+ establishes a strong electrostatic interaction with the hosting lattice, which results in low-capacity Ca-ion storage. The ionic radius of Ca 2+ further leads to sluggish ionic diffusion, hindering high-rate capability performances. Here, we report 5,7,12,14-pentacenetetrone (PT) as an organic crystal electrode active material for aqueous Ca-ion storage. The weak π-π stacked layers of the PT molecules render a flexible and robust structure suitable for Ca-ion storage. In addition, the channels within the PT crystal provide efficient pathways for fast ionic diffusion. The PT anode exhibits large specific capacity (150.5 mAh g -1 at 5 A g -1 ), high-rate capability (86.1 mAh g -1 at 100 A g -1 ) and favorable low-temperature performances. A mechanistic study identifies proton-assisted uptake/removal of Ca 2+ in PT during cycling. First principle calculations suggest that the Ca ions tend to stay in the interstitial space of the PT channels and are stabilized by carbonyls from adjacent PT molecules. Finally, pairing with a high-voltage positive electrode, a full aqueous Ca-ion cell is assembled and tested.
研究领域:
材料科学
·
电化学
·
能源存储
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）