JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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IF 2.369
Rongrong Li,Wei Wang,Xianlang Chen,Hong Chen,Huanhuan Bao,Yuwei Zhu,Jia Zhao,Deman Han
This study reports the equilibrium solubility for monobenzone in methanol, ethanol, n-propanol, isopropanol, n-butanol, acetonitrile, ethyl acetate, acetone, 1,4-dioxane, cyclohexane, N,N-dimethylformamide (DMF), N-methyl-2-pyrrolidinone (NMP), n-hexane, n-octanol, and water that was determined by means of the isothermal method between 283.15 and 313.15 K under p = 101.1 kPa. The maximum value of monobenzone solubility was 0.6316 in mole fraction at 313.15 K dissolved in ethyl acetate, but the least data was achieved in water. The solubility of monobenzone increased with the rising temperature and the order followed in the 15 pure solvents was ethyl acetate (0.6316, 313.15 K) > 1,4-dioxane (0.4350, 313.15 K) > methanol (0.1356, 313.15 K) > acetonitrile (0.1247, 313.15 K) > (ethanol, isopropanol) > n-propanol (0.09942, 313.15 K) > n-butanol (0.08346, 313.15 K) > n-octanol (0.03546, 313.15 K) > cyclohexane (8.020×10–3, 313.15 K) > n-hexane (3.133 × 10–3, 313.15 K) > NMP (2.372 × 10–4, 313.15 K) > DMF (1.145 × 10–4, 313.15 K) > acetone (4.032 × 10–5, 313.15 K) > water (3.019 × 10–5, 313.15 K). There was no existence of processes such as solvation or polymorphic transformation during the entire experiment. Several models covering the modified Apelblat, λh, Wilson, and non-random two-liquid models were applied to correlate and calculate monobenzone solubility data in fifteen monosolvents. Results showed that the modified Apelblat equation provided the best results with the experimental ones. The largest relative average deviation and root-mean-square deviation were no more than 4.74 × 10–2 and 1.81 × 10–3, respectively.
研究领域:
药学
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化学
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产品关联
DOI
高影响因子
JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY
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2023
·
IF 4.1
Mengyun Wang,Yang Yu,Yunbing Tang,Chengshuang Pan,Qianjin Fei,Zhiyan Hu,Huitao Li,Yang Zhu,Yiyan Wang,Ren-shan Ge
Benzophenone (BP) ultraviolet (UV) -filters have been widely used to prevent adverse effects of UV. Whether they can disrupt gonadal steroidogenesis remains unclear. Gonadal 3β-hydroxysteroid dehydrogenases (3β-HSD) catalyse the conversion of pregnenolone to progesterone . This study explored the effect of 12 BPs on human, rat, and mouse 3β-HSD isoforms , and analysed the structure-activity relationship (SAR) and underlying mechanisms. The inhibitory potency was BP-1 (IC 50 , 5.66 ± 0.95 μM) > BP-2 (5.84 ± 2.22 μM) > BP-6 (185.8 ± 115.2 μM) > BP3-BP12 on human KGN 3β-HSD2, BP-2 (5.90 ± 1.02 μM) > BP-1 (7.55 ± 1.26 μM) > BP3-B12 on rat testicular 3β-HSD1, and BP-1 (15.04 ± 5.20 μM) > BP-2 (22.64 ± 11.81 μM) > BP-6（125.1 ± 34.65 μM）> BP-7 (161.1 ± 102.4 μM) > other BPs on mouse testicular 3β-HSD6. BP-1 is a mixed inhibitor of human, rat, and mouse 3β-HSDs, and BP-2 is a mixed inhibitor of human and rat 3β-HSDs and a noncompetitive inhibitor of mouse 3β-HSD6. 4-Hydroxyl substitution in the benzene ring plays a key role in enhancing potency of inhibiting human, rat, and mouse gonadal 3β-HSDs. BP-1 and BP-2 can penetrate human KGN cells to inhibit progesterone secretion at ≥ 10 μM. Docking analysis revealed that the 4-hydroxyl group of BP-1 and BP-2 forms hydrogen bonds with residue Ser123 of human 3β-HSD2 and residue Asp127 of rat 3β-HSD1. In conclusion, this study demonstrates that BP-1 and BP-2 are the most potent inhibitors of human, rat, and mouse gonadal 3β-HSDs and that there is a significant SAR difference.
研究领域:
内分泌学
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毒理学
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药理学
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生物化学
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产品关联
DOI
PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2021
·
IF 13.273
Liqin Zhou,Kungang Chai,Xingdong Yao,Hongbing Ji
It is highly desirable to design and fabricate porous bio-based adsorbent for efficient and selective recovery of acetophenone (AP) and 1-phenylethanol (PE) from the effluent of propylene oxide and styrene monomer co-production (PO/SM) process. Herein, using cassava starch as the starting material, starch-graft-styrene hypercrosslinked polymers (SSHCPs) were designed and synthesized facilely by starch-graft-styrene copolymerization and subsequent crosslinking via a Friedel-Crafts alkylation route. SSHCP-3 (knitted by 4,4′-bis-(chloromethyl)-1,1′-biphenyl) shows high BET surface area (818 m 2 ·g −1 ), large pore volume, and high thermal stability, making it a highly efficient adsorbent for removal of aromatic pollutants from water. SSHCP-3 showed high uptake for AP (2.82 mmol·g −1 ) and selectivity (4.95) of AP over PE in binary-solute adsorption experiments. Spectral studies and theoretical calculation demonstrated that AP and PE uptake could occur at glucose units and benzene moiety via van der Waals interaction and π-π stacking interactions. SSHCP-3 also showed excellent adsorption efficiency of AP (93.6%) and PE (74.4%) in the wastewater discharged from PO/SM process. These results demonstrated that transforming styrene and starch to bio-based hypercrosslinked polymers provides an environmentally friendly and attractive strategy for recovery of AP and PE in practical application.
研究领域:
环境科学
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材料科学
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化学工程
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产品关联
DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
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2024
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IF 5.6
Zhengwen Li,Liheng Chen,Xueqing Qiu
Lignin, a natural macromolecule renowned for its exceptional UV-blocking capabilities, has gained attention as a promising material for encapsulating chemical sunscreens. However, the inherent heterogeneity and dark coloration of lignin have limited its application in the sunscreen industry. This study presents a novel approach to obtaining uniform and light-colored lignin through fractionation of alkali lignin using a green co-solvent system of dimethyl carbonate and ethanol. The processed lignin was then utilized to create regular-shaped microspheres via the emulsion solvent evaporation (ESE) method. By optimizing the preparation conditions, the chemical sunscreen avobenzone (AVO) was successfully encapsulated within these lignin microspheres, achieving an AVO loading capacity of up to 70 %. The resulting lignin microsphere-coated avobenzone (LM/AVO) microcapsules demonstrated broad-spectrum UV resistance and sustained photostability for up to 12 hours under continuous UV exposure. Additionally, the microcapsules exhibited robust antioxidant properties and negligible skin penetration, highlighting their excellent safety profile. These findings indicate the significant potential of lignin-based microcapsules for innovative and effective sunscreen formulations.
研究领域:
材料科学
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化妆品科学
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环境科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC
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2013
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IF 2.823
Chen Hui Du,Jian Zhang,Shao Hua Xu,Xu Dong Wang,Jun Ping Kou,Bo Yang Yu
This study explored the substrate scope and regio-selectivity of Gliocladium deliquescens NRRL 1086 on hydroxylated benzophenones (HBPs), which was the follow-up investigation on the glycosylation of phenolic hydroxyl compounds by this unique microbe. Five HBPs substrates were used and three glycosylated metabolites, iriflophenone 2- O - β - d -glycopyranoside ( 6 , 40%), riflophenone 4- O - β - d -glycopyranoside( 7 , 21%) and 2,6,4′-trihydroxy-4-methoxybenzophenone-2- O - β - d -glycopyranoside ( 8 , 65%) were isolated and structurally identified unambiguously by ESI-MS, 1 H NMR, 13 C NMR, and 2D NMR spectroscopy. The versatile glycosylation ability of G. deliquescens NRRL 1086 on phenolic hydroxyl compounds may provide an alternative and convenient method to enable high-efficiency synthesis of various HBPs glycosides.
研究领域:
微生物学
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天然产物化学
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生物合成
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产品关联
DOI
高影响因子
Molecular Catalysis
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2020
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IF 3.687
Sihao Xu,Guojun Shi,Ya Feng,Chong Chen,Lijun Ji
Acetophenone is an important industrial intermediate and generally produced by the Friedel-Crafts acylation reaction, suffering from a low reactivity and serious equipment corrosion. Direct oxidation of ethylbenzene to acetophenone by molecular oxygen will be benign and cost-effective. The catalytic performance of NHPI/Co(II) herein was investigated by selective oxidation of ethylbenzene to acetophenone in different solvents at room temperature. The solvent hexafluoropropan-2-ol (HFIP) was found to markedly enhance the transformation efficiency from ethylbenzene to acetophenone in comparison with acetic acid, pyridine and ethanol, and the ethylbenzene conversion and the selectivity to acetophenone was high up to 87.9 % and 61.2 %, respectively. A higher concentration of phthalimide -N- oxyl (PINO) radicals was observed by an in situ electron paramagnetic resonance spectrometer (EPR) in HFIP with respect to other solvents, suggesting that HFIP may facilitate the generation of the N-oxyl radical and thus promote the selective oxidation of ethylbenzene to acetophenone. Furthermore, the benzylic carbon radical (PhCHCH 3 ) from ethylbenzene was trapped by tetramethylpiperidine N-oxyl radical (TEMPO) and observed by a high resolution mass spectrometer. The findings of both PINO and PhCHCH 3 under reaction conditions indicated that the selective oxidation of ethylbenzene to acetophenone catalyzed by NHPI/Co(II) should proceed via a radical mode. The selective oxidation of ethylbenzene to acetophenone using molecular oxygen by NHPI/Co(II) in HFIP exhibited an important industrial application prospect.
研究领域:
化学工程
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有机化学
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DOI
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
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2021
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IF 10.588
Mingzhu Liu,Nannan Wu,Bingru Tian,Dongmei Zhou,Chao Yan,Zongli Huo,Ruijuan Qu
The oxidation of Benzophenone-1 (BP-1) by ferrate (Fe(VI)) was systemically investigated in this study. Neutral pH and high oxidant dose were favorable for the reaction, and the second order rate constant was 1.03 × 10 3 M −1 ·s −1 at pH = 7.0 and [Fe(VI)] 0 :[BP-1] 0 = 10:1. The removal efficiency of BP-1 was enhanced by cations (K + , Ca 2+ , Mg 2+ , Cu 2+ , and Fe 3+ ), while inhibited by high concentrations of anions (Cl - and HCO 3 - ) and low concentrations of humic acid . Moreover, intermediates were identified by LC-MS, and five dominating reaction pathways were predicted, involving single hydroxylation, dioxygen transfer, bond breaking, polymerization and carboxylation . Theoretical calculations showed the dioxygen transfer could occur by Fe(VI) attacking the C C double-bond in benzene ring of BP-1 to form a five-membered ring intermediate, which was hydrolyzed twice followed by H-abstraction to generate the dihydroxy-added product directly from the parent compound. Dissolved CO 2 or HCO 3 - might be fixed to produce carboxylated products, and Cl - led to the formation of two chlorinated products. In addition, the toxicity assessments showed the reaction reduced the environmental risk of BP-1. This work illustrates Fe(VI) could remove BP-1 in water environments efficiently, and the newly proposed dioxygen transfer mechanism herein may contribute to the development of Fe(VI) chemistry.
研究领域:
环境科学
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化学
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产品关联
DOI
PubMed
高影响因子
ENVIRONMENTAL POLLUTION
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2024
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IF 7.6
Yu-Jia Lin,Hong-Mei Li,Yan-Rong Gao,Ping-Fan Wu,Bin Cheng,Chen-Long Yu,Yu-Xin Sheng,Hai-Ming Xu
The aim of this study is to investigate the adverse effects of benzophenones (BPs) on the intestinal tract of mice and the potential mechanism. F1-generation ICR mice were exposed to BPs (benzophenone-1, benzophenone-2, and benzophenone-3) by breastfeeding from birth until weaning, and by drinking water after weaning until maturity. The offspring mice were executed on postnatal day 56, then their distal colons were sampled. AB-PAS staining, HE staining, immunofluorescence, Transmission Electron Microscope, immunohistochemistry, Western Blot and RT-qPCR were used to study the effects of BPs exposure on the colonic tissues of offspring mice. The results showed that colonic microvilli appeared significantly deficient in the high-dose group, and the expression of tight junction markers Zo-1 and Occludin was significantly down-regulated and the number of goblet cells and secretions were reduced in all dose groups, and the expression of secretory cell markers MUC2 and KI67 were decreased, as well as the expression of intestinal stem cell markers Lgr5 and Bmi1 , suggesting that BPs exposure caused disruption of intestinal barrier and imbalance in the composition of the intestinal stem cell pool. Besides, the expression of cellular inflammatory factors such as macrophage marker F4/80 and tumor necrosis factor TNF-α was elevated in the colonic tissues of all dose groups, and the inflammatory infiltration was observed, which means the exposure of BPs caused inflammatory effects in the intestinal tract of F1-generation mice. In addition, the contents of Notch/Wnt signaling pathway-related genes, such as Dll-4 , Notch1 , Hes1 , Ctnnb1 and Sfrp2 were significantly decreased in each high-dose group ( P < 0.05), suggesting that BPs may inhibit the regulation of Notch/Wnt signaling pathway. In conclusion, exposure to BPs was able to imbalance colonic homeostasis, disrupt the intestinal barrier, and trigger inflammation in the offspring mice, which might be realized through interfering with the Notch/Wnt signaling pathway.
研究领域:
毒理学
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分子生物学
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环境科学
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产品关联
DOI
PubMed
高影响因子
POLYMER
·
2019
·
IF 3.771
Tao Guan,Zhukang Du,Xueyi Chang,Dongli Zhao,Shurui Yang,Ning Sun,Biye Ren
Hydrophobically modified ethoxylated urethanes (HEURs), as a representative class of associative polymers, are widely used as rheology modifiers in waterborne systems such as coatings, emulsions, inks etc. due to their unique associative network structure and finite relaxation behavior in solution. However, conventional HEURs are non-reactive and generally stay free in final cured films, which may induce some damages to the performance of the coatings. To solve the problem, a new concept of reactive HEUR has been proposed. That is, a reactive HEUR should bear reactive hydrophobic end-groups which can chemically crosslink with matrix resins during the curing process of waterborne coatings. In this work, with the help of the hydrogen abstraction photo-initiating reactivity of benzophenone (BP) group, a reactive HEUR (BPC 11 HEUR) end-functionalized by a photo-initiator BP moiety has been prepared. In aqueous solution, as demonstrated by steady shear measurement, an exponential increment of solution viscosity along with the increasing of polymer concentration ( C ) was found when C surpassed its critical percolation concentration ( C p ≈ 23.6 g/L). Besides, ultraviolet (UV) light induced photolysis in aqueous solution manifested a typical photochemical reaction behavior of BPC 11 HEUR polymer with a final photolysis degree ( D ) of approximate 78% after 300 s of irradiation. In situ 1 H NMR and rheological measurements collectively revealed the efficient photo-initiating reactivity of BPC 11 HEUR for waterborne UV monomers or resins. Further, rheological measurements demonstrated that the emulsion zero/low shear viscosity can be greatly enhanced by ca. 50 folds for a commercially available waterborne UV polyurethane acrylate emulsion when the addition amount of BPC 11 HEUR varied from 0 to 1.0 wt%. These results shown that the reactive BPC 11 HEUR polymer can not only be used to efficiently modify the rheological properties of solutions or emulsions but also can chemically crosslink with waterborne UV acrylic monomers or resins by light irradiation . The work may be of interest for development of reactive HEURs used in waterborne UV coatings, inks, and adhesives, etc.
研究领域:
材料科学
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化学工程
✓ 已验证
产品关联
DOI
高影响因子
Molecular Catalysis
·
2025
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IF 4.9
Nana wang,Jiayu Teng,Yanmei Dai,Zijuan Tao,Changshun Huang,Liangli Luo,Zhimin Ou
To enhance the catalytic efficacy of nitroreductase and optimize the utilization of m-nitroacetophenone substrate, a novel nitroreductase, EcNTR, was isolated from Enterobacter cloacae ZJUT16 (CGMCC NO:28,310). The gene encoding EcNTR was successfully cloned and heterologously expressed. Through alanine scanning and site-saturation mutagenesis, two mutants, EcNTR-G20N/I54N and EcNTR-G20N/Y154D, were identified, exhibiting 5.01-fold and 4.69-fold higher specific activities, respectively, compared to wild-type EcNTR. At a substrate concentration of 80 mM, these mutants achieved a conversion rate of 98.52 %. Further optimization of the whole-cell catalytic conditions for mutant EcNTR-G20N/Y154D—specifically, a reaction time of 12 h, temperature of 30 °C, cell concentration of 100 g /L, use of DMSO as co-solvent, and 80 mM substrate—resulted in a yield of 99.2 %. These findings indicate that conformational changes in the active site region improved enzyme-substrate binding efficacy, thereby enhancing enzyme activity and catalytic ability. This study lays a foundation for the further development of nitroreductases for the efficient degradation of nitro-containing compounds.
研究领域:
生物化学
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酶工程
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合成生物学
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DOI
高影响因子
Antioxidants
·
2024
·Vol. 13
·期 8
·894
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IF 6
Shenshuai Wang,Yingjie Huang,Weiye Sun,Xufeng Lin
Hindered phenol antioxidants and benzophenone UV absorbers are common polymer additives and often used in combination applications to enhance the anti-aging performance of polymer materials. This study primarily aims to incorporate hindered phenol and benzophenone structures into a single molecule to develop a multifunctional polymer additive with good anti-aging performance. Thus, a novel potential polymer anti-aging agent, namely 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid 3-(4-benzoyl-3-hydroxyphenoxy)propyl ester (3C), was synthesized using 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid, 3-bromo-1-propanol, and 2,4-dihydroxybenzophenone as raw materials by two-step procedure. The structure of compound3Cwas characterized by nuclear magnetic resonance (NMR), high-resolution mass spectrometry (HRMS), Fourier-transform infrared (FT-IR) spectroscopy, and X-ray single crystal diffraction. Its thermal stability and UV resistance were assessed using thermogravimetric analysis (TGA) and UV absorption spectroscopy (UV). The compound3Cas an additive was incorporated into the preparation of polyolefin elastomer (POE) films. The anti-aging performance of POE films was evaluated by measuring parameters such as oxidation induction time, melt flow index, transmittance, and infrared spectra of the artificially aged POE films. The results indicate that the compound3Cexhibits a promising anti-aging performance in both thermo-oxidative aging and ultraviolet aging tests of POE films and is a potential polymer anti-aging agent.
研究领域:
材料科学
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高分子化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2022
·
IF 4.326
Fangyi Pei,Zhimiao Wang,Jianhua Lv,Fang Li,Wei Xue
Cu–Zn–Al catalyst was prepared by the co-precipitation method, and the catalytic performance for transfer hydrogenation of acetophenone (AP) to 1-phenylethanol (1-PhE) was evaluated using isopropanol (IPA) as a hydrogen source. The addition of Zn changed the morphology of the catalyst and reduced aggregation of catalyst particles, resulting in highly dispersed Cu active sites. As the Zn content increased, the valence state of Cu species changed. When the Cu/Zn molar ratio was 2/3, the Cu+/Cu0 ratio in the catalyst was 0.81, resulting in good selectivity for 1-PhE. The reaction conditions were optimized over the Cu–Zn–Al catalyst with a Cu/Zn molar ratio of 2/3. When the reaction was performed at 180 °C for 2 h with an IPA/AP molar ratio of 15, the AP conversion was 89.4% and the 1-PhE selectivity was 93.2%. The Cu–Zn–Al catalyst showed good stability, and AP conversion and the 1-PhE selectivity were essentially unchanged after five cycles.
研究领域:
催化化学
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有机合成
·
材料科学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）