SYNTHESIS-STUTTGART
·
2025
·Vol. 57
·期 14
·2241-2251
·
IF 2.3
Yilun Song,Deyang Liu,Shunxi Dong,Xiaoming Feng
A highly enantioselective alkoxylation reaction of 3-bromo-3-substituted 2-oxindoles with alcohols was achieved by a chiral Ni(II)/N,N′-dioxide complex. This strategy provided an efficient route to various enantioenriched 3-alkyl 3-alkyloxy-2-oxindoles with good yield and enantiomeric ratio (40 examples, up to 99% yield, 95:5 er). Moreover, phenol and benzenethiol were also compatible with the reaction conditions. The gram-scale synthesis of an optically active product and its further transformation into CPC-1 analogue demonstrated the potential utility of the method. In addition, a catalytic cycle as well as a possible working mode was provided to understand the enantioselectivity of the reaction.
研究领域:
有机化学
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不对称催化
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药物化学
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合成方法学
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JOURNAL OF THE ELECTROCHEMICAL SOCIETY
·
2013
·Vol. 160
·期 3
·H173
·
IF 2.588
Bin Hu,Xiaojing Lv,Jingwei Sun,Mi Ouyang,Zhiyan Fu,Cheng Zhang
In this study, a novel material, Z-2, 3-bis(4-(thiophen-3-yl)-phenyl) –acrylonitrile (Z-TPA), was synthesized and characterized. Optical and electrochromic properties of its homopolymer and copolymer with 3, 4-Ethylenedioxythiophene (EDOT) were investigated in details. UV–vis absorption and fluorescence spectra showed that this material possessed the properties of aggregation-induced emission (AIE) due to the introduction of acrylonitrile, which could show sky-blue emitting at the aggregation state and almost no emitting at the solution state. Both its polymer and copolymer displayed better redox activity. Spectroelectrochemical analysis displayed that the copolymer film exhibited multicolor showing, with a claret red in the fully reduced form and a blue-green color in the fully oxidized. Spectrochronoamperometry data revealed that the copolymer films had fast switching time and high chromatic contrast as compared to the homopolymer P(Z-TPA). What's more, the copolymer film was used to construct a dual type polymer electrochromic device (ECDs) with PEDOT. The performance of ECDs were also investigated.
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INORGANIC CHEMISTRY
·
2026
·
IF 4.6
Jingjing Xu,Huili Zhang,Xuemei Shi,Xin Wen,Jingyao Lu,Jindong Chen,Chensheng Lin,Ning Ye,Guang Peng
By incorporating rare-earth and alkali metals into borates, two noncentrosymmetric borate crystals, K3Yb2(BO3)3 and Rb3Yb2(BO3)3, were successfully obtained via a high-temperature solution method. Both K3Yb2(BO3)3 and Rb3Yb2(BO3)3 deliver second harmonic generation (SHG) responses of 0.39 and 0.22 × KH2PO4 (KDP) and moderate birefringence of 0.029 and 0.035 at 546 nm. The UV cutoff edges of the two title crystals are 237 and 240 nm, which correspond to band gaps of 4.68 and 4.61 eV. Both K3Yb2(BO3)3 and Rb3Yb2(BO3)3 demonstrate high thermal stability, with decomposition temperatures of 942 and 885 °C, respectively. In addition, to better demonstrate the relationship between microscopic groups and macroscopic optical performance, the first-principles calculations were carried out, which revealed that the optical polarizability of K3Yb2(BO3)3 and Rb3Yb2(BO3)3 originates from the synergy between the BO3 units and the rare-earth polyhedra.
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International Journal of Greenhouse Gas Control
·
2018
·
IF 4.078
Yanru Chen,Wusan Jiang,Xiao Luo,Yangqiang Huang,Bo Jin,Hongxia Gao,Wensheng Li,Zhiwu Liang
In this work, the stopped-flow technique is used to determine the kinetics data in terms of pseudo first-order rate constants ( k 0 ) for the homogenous reaction of CO 2 into aqueous solutions of 3-dimethylaminopropylamine (DMAPA) and 3-diethylaminopropylamine (DEAPA) as amine concentrations ranged from 0.05 kmol/m 3 to 0.15 kmol/m 3 and temperature ranged from 293 K to 313 K. It is found that k 0 increased with increasing temperature and with increasing amine concentration. The mechanism of the pseudo first-order chemical reaction hypothesis is applied to interpret the experimental data. The Arrhenius expressions as k 2 = 8.69 × 10 9 × exp ( − 4226.2 / T ) for DMAPA and k 2 = 7.21 × 10 12 × exp ( − 6162.9 / T ) for DEAPA are obtained. The results show that the experimental CO 2 absorption rates exhibited good agreement with predicted CO 2 absorption rates with an average relative deviation (ARD) of 2.34% and 7.53%, respectively. Finally, the interaction of tertiary amine groups with primary amine groups and the effect of molecular structure on the interaction are discussed by comparing the CO 2 absorption and desorption performances in five different systems (MEA, DEEA, MEA + DEEA, DMAPA, DEAPA). It is found that the intermolecular interaction of amino groups is stronger than that of intramolecular interaction.
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JOURNAL OF MASS SPECTROMETRY
·
2018
·Vol. 54
·期 2
·134-140
·
IF 2.112
Zhongping Huang,Yanshuxian Liu,Xiaoli Huang,Zhenzhen Hu,Huijun Liu,Lili Wang,Charles Liu,Yiping Ren
A novel method utilizing ambient thermal desorption ionization with a direct analysis in real-time source integrated with mass spectrometry (DART-MS) was established and applied to the rapid analysis of 3-hydroxy-3-methylglutaric (3-HMG) acid in the neonatal urine. Instrument parameter settings were optimized to obtain high sensitive and accurate determination of 3-HMG acid. The use of helium gas heated to temperature of 400°C was observed to permit deprotonation, 3-HMG acid producing an abundant (M-H) − ( m/z 161) in the negative ion mode. The calibration curve was determined to be linear over the range of 0.05-5 mg/L, with the correlation coefficient r = 0.9988 and the relative standard deviations (n = 6) in the range of 1.5-11.8%. The limit of detection was 0.002 mg/L, and the limit of quantitation was 0.007 mg/L. The recoveries ranged from 88.0% to 123.1%. Four urine samples from patients and four simulated urine samples were investigated. The results of DART-MS were in agreement with the values determined using established methods at the hospitals. The proposed method demonstrated significant potential in the application of the high-throughput screening in newborn screening.
研究领域:
临床化学
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新生儿筛查
·
代谢组学
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质谱分析
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先天性代谢缺陷
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Frontiers in Microbiology
·
2018
·
IF 4.019
Chen Xin,Tang Hongzhi,Liu Yongdi,Xu Ping,Xue Yong,Lin Kuangfei,Cui Changzheng
3-Hydroxybenzoate 6-hydroxylase, an NADH-dependent flavoprotein, can convert 3-hydroxybenzoate which is an important intermediate in the biodegradation of many aromatic hydrocarbons. 3-Hydroxybenzoate is metabolized by entering the TCA cycle through the gentisate pathway. We found a putative 3HB6H gene from a cluster that potentially encodes for gentisic acid degradation from a halophilic Martelella sp. strain AD-3. The corresponding protein was expressed with an N-terminal His-tag and purified by Ni2+-nitrilotriacetic acid affinity chromatography. The protein showed an overexpressed band of about 46 kDa by SDS–PAGE, and it was also proven that the enzyme contains FAD by absorption spectroscopy and HPLC analysis. The optimal activity of 3HB6H from strain AD-3 was observed in phosphate buffer (pH 8.0) at 37∘C without salinity (NaCl) and metal salts. The Km values of 3-hydroxybenzoate 6-hydroxylase were determined to be 72.6 ± 10.1 μM and 104.1 ± 18.2 μM for 400 μM NADH and 3-hydroxybenzoate, respectively. Site-directed mutagenesis showed that residues 305, 306 and 308 are important for FAD binding. In addition, we found that Tyr221 and Gln305 of 3HB6H from strain AD-3 are involved in substrate binding.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2018
·
IF 5.091
Qiang Wan,Huiyong Wang,Shuangyu Li,Jianji Wang
Liquid-phase exfoliation of graphite is a promising method to produce graphene in large quantities. Selection of the solvent is the most important factor in determining the productivity of liquid-phase exfoliation and stability of the graphene dispersion. However, only low concentrations of graphene dispersion have been achieved in most of the solvents, and the solvents usually employed are toxic up to now. To address the performance and environmental safety issues of solvent, renewable solvents water and 1, 1, 3, 3-tetramethylurea (TMU) are explored as a mixture to exfoliate graphite into graphene in the present work. It is found that water-TMU mixed solvent is a powerful solvent to obtain a few-layer graphene, and the yield at the water volume faction of 0.3 was 4.5 times that in neat N -methylpyrrolidinone (NMP). The solvent-cosolvent interactions (water-TMU heteroassociation) are a critical factor in the liquid-phase exfoliation of graphene. The results reported in this work may provide a guide to rational design of a sustainable solvent system and to improve the yield and stability of the exfoliated graphene.
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ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
·
2024
·
IF 6.2
Huazhong Zhang,Hao Sun,Jian Qian,Li Sun,Cheng Zong,Jinsong Zhang,Beilei Yuan
Diquat (DQ) is a commonly used bipyridine herbicide known for its toxic properties and adverse effects on individuals. However, the mechanism underlying DQ-induced damage remain elusive. Our research aimed to uncover the regulatory network involved in DQ-induced damage. We analyzed publicly accessible gene expression patterns and performed research using a DQ-induced damage animal model. The GSE153959 dataset from the Gene Expression Omnibus collection and the animal model of DQ-induced kidney injury were used to identify differentially expressed genes (DEGs). Pathways including the regulation of DNA-templated transcription in response to stress, RNA polymerase II transcription regulator complex and transcription coregulatory activity were shown to be enriched in 21 DEGs. We used least absolute shrinkage and selection operator (LASSO) regression analysis to find possible diagnostic biomarkers for DQ-induced damage. Then, we used an HK-2 cell model to confirm these results. Additionally, we confirmed that 3-hydroxy-3-methylglutaryl-CoA synthase 2 (HMGCS2) was the major gene associated with DQ-induced damage using multi-omics screening. The sample validation strongly suggested that HMGCS2 has promise as a diagnostic marker and may provide new targets for therapy in the context of DQ-induced damage.
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PHYTOMEDICINE
·
2025
·
IF 8.3
Xu Dong,Jianyin Miao,Ling Wu,Ziyu Kong,Zenghui Liu,Diyi Jia,Qingqing Zhai,Dan Zhang,Yan Xu
Background Diabetes patients face an elevated wound infection susceptibility and delayed healing processes. Currently, no existing literature has reported on the effect and mechanism of theaflavin-3, 3’-digallate nanoparticles (TFDG NPS) and TFDG NPS@hydrogels on diabetic wounds. Purpose Given that the treatment options for diabetic wound are limited, the aim of this study is to develop an innovative therapeutic approach to address diabetic wounds. Methods The TFDG NPS were prepared using ionic cross-linking, and they were then characterized. The biocompatibility of the TFDG NPS and TFDG NPS@hydrogel was assessed using a Cell Counting Kit-8 (CCK-8) assay and live/dead staining on HK-2 cells in vitro . Diabetic ICR mice were induced through intraperitoneal injection of streptozocin (STZ). They were then subjected to the creation of two full-thickness wounds on their dorsal areas. The effect and mechanism of the TFDG NPS and TFDG NPS@hydrogel on wound healing in diabetic mice were evaluated using a histological analysis, a western blot analysis, and molecular docking. Results The optimal TFDG NPS proportion was found to be TFDG:Gelatin (Gel):Chitosan (CS) = 2:1:1. Images photographed using a transmission electron microscope (TEM) revealed that the TFDG NPS appeared spherical, with a diameter of approximately 140 ± 20 nm. The favorable bio-compatibility of the TFDG NPS and TFDG NPS@hydrogel was confirmed using cell experiments. Animal studies demonstrated that both the TFDG NPS and TFDG NPS@hydrogel enhanced collagen fiber accumulation and new blood vessel density, reduced F4/80 infiltration, and upregulated the expression levels of TGF-β1, SMAD3, Collagen I, and α-SMA. The potential mechanism may involve activation of the TGF-β1/SMAD3 pathway, stimulating the secretion of Collagen I and α-SMA, and thereby facilitating wound closure in diabetic mice. The molecular docking results confirmed a high affinity between TFDG and TGF-β1/SMAD3. Conclusion TFDG NPS and TFDG NPS@hydrogel promoted wound closure in diabetic mice through the TFG-β1/SMAD3 pathway, thus exhibiting promising therapeutic potential for diabetic wound treatment.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2024
·
IF 5.7
Guangkai Wu,Zihan Zhao,Jun Hu,Yue Li,Jianxia Sun,Weibin Bai
The chemical synthesis of anthocyanins, especially delphinidin-3-O-glucoside and petunidin-3-O-glucoside, is preferable due to the challenges associated with their extraction and purification. However, the reported methods for the synthesis are scarce and intricate. Our research focused on exploring a one-step ester-to-ketone process and optimizing the ring formation reaction, simplifying and improving the overall synthesis strategy. Through these attempts, we were able to achieve higher production yields of delphinidin-3-O-glucoside and petunidin-3-O-glucoside. According to the results of DPPH, ABTS, and FRAP, the antioxidant activity of anthocyanins was increased with the number of B ring hydroxyl substituent. Additionally, both delphinidin-3-O-glucoside and petunidin-3-O-glucoside exhibited no cytotoxicity effects, highlighting their potential for safe application in various fields.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2025
·
IF 6.2
Yihan Chen,Wanqing Wei,Jianhao Xu,Wei Song,Jian Wen,Guipeng Hu,Xiaomin Li,Cong Gao,Jing Wu
3-Hydroxy-3-methylbutyrate (HMB), an important dietary supplement, can enhance the quality of life for sedentary and elderly people. However, the catalytic efficiency of the pathway enzymes limited the biosynthesis of HMB. Here, we identified an efficient 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) from Bacteroides barnesiae (BbHPPD) that converted l-Leucine (l-Leu) to HMB together with an efficient L-amino acid deaminase (L-AAD) in lab-preserved Proteus mirabilis (PmL-AADQ92A). The regioselective hydroxylation mechanism of the decarboxylated intermediate of 4-methyl-2-oxopentanoic acid (α-KIC) catalyzed by BbHPPD was elucidated for the first time. Structure-guided semirational design of BbHPPD generated a mutant M4. Compared to the wild type, the titer of mutant M4 increased by 254% when using α-KIC as a substrate. Finally, the engineered Escherichia coli 06 strain achieved the HMB titer of 11.6 g/L, a molar conversion of 65%, and a space-time yield of 0.64 g/(L·h) (the highest to date) in 18 h. This study lays the foundation for industrial-scale biosynthesis of HMB.
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Cell Reports
·
2026
·Vol. 45
·期 4
·
IF 7.7
Yun Lv,Sheng Liu,Qihai Wang,Jing Zhu,Yingxiang Hou,Haiyan Xu,Deyan Zhu,Yu Liu,Jing Wu,Changxin Wu,Guijun Shang,Hongxiang Lou,Defen Lu,Huiqing Yuan,Deyu Zhu
The cyclic-oligonucleotide-based antiphage signaling system (CBASS) protects bacteria from phage infection. In Vibrio cholerae , phage infection activates CD-NTase DncV to produce 3′3′-cGAMP, which triggers phospholipase CapV to degrade phosphatidylethanolamine and phosphatidylglycerol, the major phospholipids in the inner-membranes, thereby inducing cell death. However, how 3′3′-cGAMP activates CapV was unclear. Here we present crystal structures of inactive Acinetobacter baumannii CapV in apo and 3′3′-cGAMP-bound forms, along with cryo-EM structures of activated CapV-3′3′-cGAMP complex, with or without substrate dioleoylphosphatidyl-ethanolamine (DOPE). Apo-CapV forms symmetric dimers in a “closed” state. 3′3′-cGAMP binding drives lateral polymerization of dimers into filament assembly, inducing an “open” state that exposes the active site and substrate-binding cleft. DOPE binding further shifts CapV to an “ajar” state, where a Y-shaped cleft positions DOPE for hydrolysis via a conserved Ser/Asp catalytic dyad. This 3′3′-cGAMP-induced filamentation mirrors activation mechanisms of TIR-STING, TIR-SAVED, and mammalian STING, revealing a conserved signaling pattern across immune systems.
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