CHEMICAL PHYSICS
·
2025
·
IF 2.4
Qiuhui Zhao,Yaqi Jing,Jiale Zhang,Jiadan Xue,Jianjun Liu,Jianyuan Qin,Zhi Hong,Yong Du
Isoniazid (INH), a frontline anti-tuberculosis drug, faces rising resistance and hepatotoxicity, motivating crystal-engineering approaches. The INH-4-hydroxybenzoic acid (INH-HBA) cocrystal shows multiple polymorphs, its hydrate exists in two forms whose lattice water markedly alters hydrogen-bond topology and molecular packing. We combined terahertz time-domain spectroscopy (THz-TDS) and FT-Raman spectroscopy with periodic solid-state DFT and potential energy distribution (PED) analysis to assign vibrational modes and link spectral features to structural motifs. Hirshfeld surface analysis indicates form I is dominated by multi-directional O H...N contacts and an R 2 2 ( 8 ) N H...O synthon that yields parallel layered packing. By contrast, form II uses lattice water to bridge O H...O/N H...O interactions and weak C H...O contacts, producing a cross-stacked three-dimensional network lacking R 2 2 ( 8 ) dimers. Observed spectral differences are attributed to these distinct intermolecular interactions and associated vibrations. By integrating experimental and theoretical data, this study provides spectroscopic-structural insights into INH-HBA hydrate polymorphism, offering a foundation for pharmaceutical cocrystal identification and design.
✓ 已验证
产品关联
DOI
高影响因子
CHROMATOGRAPHIA
·
2025
·
IF 1.3
Yang Yali,Quan Kaijun,Takafuji Makoto,Chen Jia,Liu Xiuhui,Qiu Hongdeng
C18-modified bipyridinium-functionalized silica was prepared and further modified with tetras(4-sulfonatophenyl)styrene (TPE-SO 3 H) via ion bonding. Thus, two novel stationary phases, including C18-modified bipyridinium stationary phase (Sil-DPC18) and TPE-SO 3 H-functionalized C18-modified bipyridinium stationary phase (Sil-DPC18-TPES) were obtained. The stationary phases were characterized by elemental analysis and Fourier transform infrared spectroscopy (FT-IR). The reversed-phase chromatographic performance of Sil-DPC18 and Sil-DPC18-TPES were evaluated using the Tanaka test mixture, alkylbenzenes, and linear polycyclic aromatic hydrocarbons (PAHs). Compared to an in-house Sil-C18, Sil-DPC18-TPES and Sil-DPC18 exhibited stronger aromatic selectivity and shape selectivity, but weaker hydrophobicity and hydrophobic selectivity. Furthermore, Sil-DPC18-TPES demonstrated better hydrophobicity, hydrophobic selectivity, aromatic selectivity and shape selectivity compared to Sil-DPC18. The enhancement could be due to the introduction of TPE-SO 3 H. In addition, Sil-DPC18-TPES and Sil-DPC18 exhibited good separation selectivity for PAHs, phenylesters, phenols, and phenylamines compared to Sil-C18.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
·
2026
·
IF 7.1
Taozhong Zhang,Wanzhong Yin,Jin Yao,Wenju Sun,Weifan Du,Chao Yin,Xiaoqi Ban
The inherent floatability of chalcopyrite and molybdenite, together with the environmental concerns associated with conventional depressants, poses a persistent challenge to their efficient and sustainable separation. Therefore, this study evaluates the potential of 4-amino-6-hydroxy-2-mercaptopyrimidine (AHMM) as an efficient depressant and systematically investigates its role in improving flotation selectivity and regulating interfacial interactions. Micro-flotation experiments showed that at neutral pH and an AHMM concentration of 12 mg/L, the recovery of molybdenite reached 92.91%, whereas that of chalcopyrite was only 7.76%. This large difference corresponds to a selectivity index of 12.48, enabling highly efficient separation of the two minerals. Surface analyses—including zeta potential measurements and surface wettability tests—indicated that AHMM preferentially adsorbed onto chalcopyrite, significantly reducing its hydrophobicity. FTIR and XPS results demonstrated that the S and N atoms of AHMM coordinated with Cu atoms on the chalcopyrite surface, leading to the formation of stable surface complexes. DFT calculations further supported the robust chemisorption of AHMM on the chalcopyrite surface, producing a four-membered chelate via Cu–S and Cu–N coordination. Overall, this study demonstrates that AHMM has significant potential to serve as an efficient and selective depressant for chalcopyrite in Cu–Mo flotation separation processes.
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL IMMUNOPHARMACOLOGY
·
2026
·
IF 4.7
Tianxiao Hu,Jiayu Qi,Yinuo Xu,Jia He,Qingying Tan,Jie Hao,Jing Wang,Jiewei Hong,Jianwei Wang,Lin Chen,Xiaobing Dou
This study aims to investigate the molecular mechanisms by which 4-hydroxynonenal (4-HNE) regulates hydrogen sulfide (H₂S)-producing enzymes, mediating the pathogenesis of metabolic dysfunction-associated fatty liver disease (MAFLD) during pregnancy, thereby offering novel molecular targets for early diagnosis and intervention of related disorders. By establishing a MAFLD pregnant mouse model, we comprehensively examined the regulatory effects of 4-HNE on placental function and its interaction with the H₂S system. We found that MAFLD pregnant mice exhibited significant glucose metabolic disorders, hepatic steatosis, and placental damage. Mechanistically, 4-HNE disrupts H₂S biosynthesis, thereby impairing its inhibitory effect on the inflammasome pathway while simultaneously activating inflammatory cascades. This synergistic action exacerbates placental pathological damage, manifesting as abnormal vascular function and impaired materno-fetal exchange. Notably, exogenous H₂S intervention partially reversed 4-HNE-induced toxicity, suggesting the therapeutic potential of targeting this pathway. These findings demonstrate the pivotal role of the “4-HNE–H₂S–NLRP3” regulatory axis in MAFLD-associated placental injury, providing novel mechanistic insights and potential therapeutic targets for pregnancy complications.
✓ 已验证
DOI
PubMed
高影响因子
CHEMICAL PAPERS
·
2016
·Vol. 71
·期 3
·627-637
·
IF 1.326
Yan Liu-qing,Chen Yao,Sun Xiao-fu,You Mao-jun,Chen Xiao-dong,Gu Qiang,Zhang Yu-min
A solvent-free microwave-assisted four-component synthesis of 1,2,4,5 - tetrasubstituted imidazoles bearing a 4-aminophenyl substituent was studied by condensation of p -phenylenediamine, aryl diketone, benzaldehyde derivatives and ammonium acetate in the presence of solid support silica gel and catalyst Keggin-H 3 [PW 12 O 40 ]. The effects of four components molar ratio along with catalyst loading, irradiation time on the yields were investigated. Also, the structures of synthesized compounds were characterized by FT-IR, HRMS, 1 H NMR and 13 C NMR spectroscopy. Furthermore, their ultraviolet–visible maximum absorption, liquid fluorescence emission maximum and quantum yields were, respectively, measured in 0.05 M H 2 SO 4 aqueous solution and in dichloromethane. Simultaneously, solid fluorescence spectra were determined in the powder state. The relationships between the optical behavior and the polarity of the solvents for some compounds were assessed. The results showed that the fluorescence quantum efficiency was increased by introducing amino phenyl in comparison with benzyl on 1-position of trisubstitued imidazoles. The compounds synthesized were sensitive to the polarity of the solvents.
✓ 已验证
DOI
高影响因子
ELECTROCHIMICA ACTA
·
2010
·Vol. 55
·期 23
·7102-7108
·
IF 3.325
Huanshun Yin,Qiang Ma,Yunlei Zhou,Shiyun Ai,Lusheng Zhu
The graphene–chitosan composite film modified glassy carbon electrode (GCE) was fabricated and used to determine 4-aminophenol (4-AP). In 0.1 M pH 6.3 phosphate buffer solution , the redox peak currents of 4-AP increased significantly and the peak-to-peak separation decreased greatly at graphene–chitosan composite film modified GCE compared with bare GCE and chitosan modified GCE, indicating that graphene possessed electrocatalytic activity towards 4-AP. The experimental conditions were optimized and the kinetic parameters were investigated. The oxidation mechanism was discussed. Under the optimal experimental conditions, the oxidation peak current was proportional to 4-AP concentration in the range from 0.2 to 550 μM with the correlation coefficient of 0.9930. The detection limit was 0.057 μM (S/N = 3). Using the proposed method, 4-AP was successfully determined in water samples and paracetamol tablets with standard addition method, suggesting that this method can be applied to determine 4-AP in environments and pharmaceuticals.
研究领域:
电分析化学
·
药物代谢
·
环境监测
·
生物传感器
·
分子诊断
·
转化医学
✓ 已验证
DOI
高影响因子
POLYMER
·
2026
·
IF 4.5
Long Jiang,Xinlei Pang,Shenghui Guo,Runan Jia,Xiaobao Zhu,Ming Hou,Li Yang,Jialong Zhang
To address the challenges of high energy consumption and long polymerization times in the traditional synthesis of poly(4-hydroxystyrene) (PHS) resins, this study proposes a novel PHS synthesis method. The method utilizes microwave-assisted heating to synthesize PHS precursors [poly(4-acetoxystyrene) and poly(p-tert-butoxystyrene)]. To assess its feasibility, the dielectric properties of four different PHS precursor reaction systems and their respective monomers were characterized using resonant cavity perturbation techniques over a temperature range of 25-130 °C. The microwave heating characteristics of these systems (or their raw materials) were examined under microwave irradiation at 400 W. Additionally, complementary Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were performed from 30 °C to 300 °C. The results indicate that the dielectric constants of all four types of systems exceed 4, and the lowest dielectric loss tangent is 0.05. Both (2,2-azobisisobutyronitrile) AIBN initiator systems are capable of increasing their temperature from room temperature to 70 °C within 2 minutes in the microwave field. Similarly, both (2,2,6,6-tetramethylpiperidine-1-oxyl radical) TEMPO and (benzoyl peroxide) BPO systems can elevate their temperature from room temperature to 125 °C in just 4 minutes. These findings provide significant guidance for the development of microwave polymerization-based methods for preparing PHS.
✓ 已验证
产品关联
DOI
高影响因子
Food and Bioprocess Technology
·
2026
·Vol. 19
·期 7
·351
·
IF 5.6
Sheng Jie,Song Shuxuan,Wang Wenbo,Zhang Jialong,Wang Jiaxin,Chen Ziyi,Sun Maoquan,Huang Honghua,Song Yishan
This study utilised microfibrillated cellulose (MFC) and acetylated starch (AS) as structural frameworks, with 4- terpineol (4-TA) serving as the antimicrobial agent. A multifunctional biodegradable aerogel with water absorption, antibacterial, cushioning and slow-release properties has been developed as a freshness-preserving pad for fruit and vegetables. The system analysed the effects of different mass ratios of MFC/AS on the density, porosity, mechanical properties, water absorption rate, and oil absorption rate of aerogels. Additionally, the release characteristics, antibacterial properties, and biodegradability of the aerogel were investigated. The results indicate that, the aerogel with a MFC/AS mass ratio of 1:3 has the best comprehensive performance, exhibiting a compressive strength of 0.030 ± 0.002 MPa and an springiness of 0.577 ± 0.031. It also exhibits exceptional water and oil absorption capacities, reaching 1549.40 ± 38.29% and 3887.33 ± 86.56%, respectively. Moreover, it also exhibits fine sustained-release properties, antibacterial performance and biodegradability. Following 240 h of release, more than 50% of 4-TA remained encapsulated within the aerogel. The inhibition zone diameters against Escherichia coli and Staphylococcus aureus were 30.37 ± 1.25 mm and 32.25 ± 1.04 mm, respectively. The application of aerogel to strawberry preservation extends their shelf life from 1 to 3 days, outperforming commercially available preservation pads. Therefore, this study offers a novel approach for the development of fruit and vegetable preservation pads. Graphical
The alternative text for this image may have been generated using AI.
✓ 已验证
DOI
高影响因子
FirePhysChem
·
2026
·
IF 5.1
Ying Kang,Kaiyuan Sun,Haiting Liu,Jiani Dong,Guoliang Liu,Lianqiang Li,Haixia Zhao,Erhai An,Xiong Cao
(H 2 dabco) [NH 4 (ClO 4 ) 3 ] (DAP-4) is a multi-ionic energetic material with strong oxidizing and detonation capabilities, but its high decomposition temperature (380 °C) limits its practical use. Cobalt-doped carbon nanotube composites (Co/CNTs) with different Co loadings (0.05, 0.5, 5 mmol) were hydrothermally prepared. Their morphologies and structures were characterized, and the influence of Co/CNTs-(1-3) on the thermolysis process and combustion performance of DAP-4 was comprehensively examined. Among them, Co/CNTs-2 exhibited the strongest catalytic activity in terms of DAP-4′s thermal decomposition and combustion. It decreased the activation energy by 57.1 kJ/mol and the decomposition temperature by 32.2 °C, respectively. Furthermore, the combustion heat of DAP-4/Co/CNTs-2 was 14947 kJ/kg, which was significantly more than that of DAP-4. The addition of Co/CNTs increased the flame area and intensity of DAP-4 while shortening the flame duration and accelerating the energy release rate.
✓ 已验证
产品关联
DOI
高影响因子
TALANTA
·
2026
·
IF 6.7
Xianglin Liao,Yanxia Ma,Bingni Huang,Dehui Yang,Yiying Liang,Xixiang Yang,Junhua Li,Li Wang,Xiaogang Hu
Enrichment and detection of trace antibiotics in complex matrices are challenged by severe matrix interference and low analyte abundance. Herein, a synergistic recognition interface was engineered on magnetic imprinted polymers by integrating acryloyl-calix[4]arene (AC[4]A) and aptamer (Apt). This dual-receptor interface exploits complementary binding modes to specifically recognize enrofloxacin (ENR). Specifically, AC[4]A captures the hydrophobic moiety of ENR via host-guest inclusion, while the aptamer targets its aromatic/carboxyl groups through hydrogen bonding and π-π stacking. Multimodal analyses ( 1 H NMR, CD, molecular docking, and MD simulations) reveal spatially distinct binding sites. Molecular docking indicates a synergistic enhancement of −2.9 kcal/mol in the ternary complex relative to binary sums, while MD simulations reveal that the cooperativity arises from entropy-driven conformational adaptation and interface complementarity. Moreover, the imprinted framework stabilizes the aptamer, retaining >80% extraction capacity after DNase I treatment. With an imprinting factor (IF) of 8.5 and a synergistic recognition factor (SRF) of 1.5, this dual-receptor interface demonstrates a clear “1 + 1>2” effect and the resulting method offers a wide linear range (2.5-300 μg/L) with a low detection limit (0.42 μg/L), well below regulatory limits. Applied to the enrichment and analysis of animal-derived samples, it significantly reduces matrix interference with recoveries of 83.3-98.2%. This dual-receptor strategy provides a reliable and sensitive platform for trace antibiotic enrichment and detection in complex matrices.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INTERNATIONAL BIODETERIORATION & BIODEGRADATION
·
2026
·
IF 4.4
Fuyu Song,Jiaxi Liu,Qi Wu,Aiqin Diao,Yinhu Jiang,Xin Yan,Na Li,Jian He,Jiguo Qiu
An efficient Rhodococcus sp. YQ-4 strain degraded 98% of 2-ABT within 24 h. • A new intermediate metabolite (2-hydroxybenzothiazole) was identified. • A novel 2-ABT biotransformation pathway was proposed. • Biodegradation of 2-ABT was a detoxification process. 2-Aminobenzothiazole (2-ABT), a representative heterocyclic compound originating from tire wear particles, was widely detected in diverse environmental matrices. Due to its persistence and potential toxicity, the removal of 2-ABT from contaminated environments has become an increasing environmental concern. However, studies on the efficient biodegradation of 2-ABT by pure cultures remain limited. In this study, the abundance of Rhodococcus increased significantly following enrichment and acclimation. Subsequently, a 2-ABT-degrading pure culture, designated Rhodococcus sp. YQ-4, was isolated. Under the optimal conditions of pH 7.0, 1% NaCl, and 30 °C, strain YQ-4 achieved a removal rate of 98% for 50 μM 2-ABT within 24 h. A key metabolic intermediate, 2-hydroxybenzothiazole (2-OBT), was identified by liquid chromatography-time-of-flight mass spectrometry (LC-TOF-MS). Based on these results, a possible initial biotransformation pathway involving deamination and hydroxylation at the C2 position of the thiazole ring was proposed. Furthermore, toxicity bioassays involving the green alga Chlamydomonas ellipsoidea and mung bean ( Vigna radiata ) demonstrated that the biodegradation of 2-ABT by strain YQ-4 significantly alleviated its phytotoxicity, thereby restoring the growth and physiological vigor of the test species. Collectively, this study provided a novel bacterial resource for the bioremediation of 2-ABT-contaminated environments and offered new insights into the catabolic pathway associated with emerging pollutants.
✓ 已验证
产品关联
DOI
高影响因子
PEST MANAGEMENT SCIENCE
·
2026
·
IF 4.2
Bo Luo,Yanbing Wu,Lu Yu,Ruxin Han,Wenjing Niu,Zhanghan Gao,Huanxi Cui,Xiaoyang Zhao,Dan Li,Xiaoyu Feng,Yuting Han,Qiuqin Li,Yihan Hu,Lailiang Qu
BACKGROUND Plant diseases caused by various pathogenic fungi significantly reduce productivity and threaten food safety. Chemical fungicides remain a cornerstone in the management of fungal infections afflicting crops. In search for more potent succinate dehydrogenase inhibitors (SDHIs) for crop protection, a series of novel indoline-containing pyrazole-4-carboxamide derivatives were designed and synthesized. RESULTS The assay results indicated that the majority of compounds incorporating a benzyl group displayed remarkable antifungal efficacies. Notably, compound 6j emerged as a standout, exhibiting the highest potency against Rhizoctonia solani , with a half-maximal effective concentration (EC 50 ) of 0.04 μg mL −1 , surpassing Boscalid (EC 50 = 0.40 μg mL −1 ) and Fluxapyroxad (EC 50 = 0.06 μg mL −1 ). Furthermore, compound 6i showed potent antifungal effects against Sclerotinia sclerotiorum and Valsa mali , with EC 50 values of 1.79 μg mL −1 and 3.54 μg mL −1 , respectively. In vivo tests confirmed that compound 6j effectively inhibited the growth of R. solani on rice leaves, while compound 6i suppressed S. sclerotiorum on oilseed rape and V. mali on apple fruits. Further antifungal mechanism studies revealed that compound 6j shared a similar mode of action with Fluxapyroxad. CONCLUSION These findings indicated that compounds 6j and 6i could serve as promising SDHI candidates for crop protection, warranting further investigation. © 2026 Society of Chemical Industry.
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）