Nature Communications
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2025
·Vol. 16
·期 1
·1-10
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IF 15.7
Zhang Bing,Liu Wei,Liu Zhu,Pei Yuhou,Li Di,Yang Hongbin,Qiu Chuntian,Fan Yang,Xu Yinghua,Ding Jie,Yu Lei,Liu Bin,Su Chenliang
Developing cost-effective and environmentally friendly approaches to synthesize brominated chemicals, which are important intermediates for the synthesis of various useful molecules such as pharmaceuticals, surfactants, pesticides, and biologically active heterocyclic compounds, is of great significance. Herein, we present a highly efficient electrochemical bromine evolution reaction over vacancy rich Co 3 O 4 using cheap NaBr as the bromine source for the synthesis of valuable brominated fine chemicals and pharmaceuticals under ambient conditions. The introduction of oxygen vacancy onto Co 3 O 4 can greatly enhance the activity and selectivity of bromine evolution reaction by optimizing Br* intermediate adsorption and desorption, enabling bromination of a series of bioactive molecules and pharmaceuticals at high yields.
研究领域:
化学工程
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材料科学
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环境科学
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产品关联
DOI
PubMed
高影响因子
INTEGRATED FERROELECTRICS
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2023
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IF 0.7
Xin-Yu Liu,Lin-Lin Kang,Hai-Lin Cong,You-Qing Shen,Bing Yu
Column laminating silica gel board plays a very important role in the separation and analysis of organic synthesis, which can monitor the progress of chemical reactions in real time and help researchers determine the time when chemical reactions are completed. In this work, we made a modified silicone powder for the separation and analysis of thiophene substances, and found that the modified silicone powder has a better separation effect than commercial silicone powder, which is expected to play a better role in the field of column chromatography separation.
研究领域:
化学
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分析化学
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产品关联
DOI
高影响因子
PROCESS BIOCHEMISTRY
·
2021
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IF 3.757
Yangyang Cai,Shuqi Xing,Qifeng Zhang,Ruonan Zhu,Kai Cheng,Cuiqin Li,Xuefeng Zeng,Laping He
The extracellular Aspergillus niger GZUF36 lipase (EXANL1) has broad applicability such as synthesis of functional lipids. The wild-type strain is unstable, and the culture time is long. Studies on the selectivity of substrates for EXANL1 are not available. Therefore, this study aimed to express, purify, characterize and analyze the substrate specificity of EAXNL1. The results showed that EXANL1 was stable in the presence of 40 % ( v/v ) dimethyl sulfoxide, glycerol, toluene, and n-hexane. The relative activity was 104 %, 88 %, 81 %, and 76 %. The residual enzyme activity of EXANL1 was more than 85 % in surfactants with a low concentration. EXANL1 exhibited a high conversion rate (79 %) for p -nitrophenyl palmitate. The molecular docking of p -nitrophenyl palmitate into the active site of EXANL1 indicated that the preference for this fatty acid chain length might be due to the formation of hydrogen bonds. The distance between the carbonyl carbon atom of p -nitrophenyl palmitate and the nucleophilic oxygen atom of serine 162 was 2.91 Å. Both experiments revealed that EXANL1 exhibited higher specificity for p -nitrophenyl palmitate. These results indicated that EXANL1 could be a promising tool in organic synthesis and detergent industry. The molecular docking provided a basis for the explanation on the substrate selectivity of EXANL1.
研究领域:
生物化学
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酶学
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工业微生物学
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产品关联
DOI
高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2021
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IF 4.311
Wenlong Wang,Qilei Liu,Lei Zhang,Yachao Dong,Jian Du
Organic synthesis plays an essential role in the pharmaceutical industry. The drug synthesis route design is a critical decision step to convert raw materials to drug products. Traditionally, knowledge-based methods are commonly used for the design of the synthesis route. However, this type of method is expensive and time-consuming, which hinders the high-throughput design of the synthesis route. In this article, a retrosynthetic analysis framework is established based on hybird reaction templates and Group Contribution (GC)-based thermodynamic models. First, a hybrid database consisting of partial atom-mapping and full atom-mapping reaction templates is constructed utilizing well-studied organic reactions from literature. Second, numerous virtual reactions are generated from reaction templates with respect to the target molecule, and reaction thermodynamic models based on the GC method are developed to validate the effectiveness of those virtual reactions in a timely fashion. Finally, Breadth-First Search (BFS) algorithm is employed to search candidate retrosynthesis pathways which are thermodynamically feasible. In this procedure, five evaluation criteria are used to identify the top-ranked retrosynthesis pathways through evaluating and optimizing the candidate retrosynthesis pathways, including Fathead Minnow 96-hr LC 50 ( LC 50 FM ), flash point ( Fp ), Natural Product-likeness Score (NPScore), Synthesis Accessibility Score (SAScore), and Synthesis Complexity Score (SCScore). A retrosynthetic analysis tool called “RetroSynX” is developed using the proposed framework. With the help of the developed framework and tool, synthesis routes considering thermodynamic feasibility can be obtained. Three case studies involving Aspirin, Ibuprofen and ZatoSetron are presented to highlight the feasibility and reliability of the proposed framework.
研究领域:
化学信息学
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药物化学
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有机化学
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DOI
高影响因子
GREEN CHEMISTRY
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2016
·Vol. 18
·期 12
·3628-3639
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IF 8.506
Xiaofeng Ning,Sugang Meng,Xianliang Fu,Xiangju Ye,Shifu Chen
In this study, a nanoparticle structure of CdS with cubic phase (CdS-G) was prepared by a facile solid-state reaction at room temperature for the first time. CdS-G can be used as a highly active photocatalyst for selective oxidation of p-methoxybenzyl alcohol (pMBA) to p-methoxybenzaldehyde (pMBAD) and reduction of nitrobenzene (NB) to aniline (AL) in a coupled reaction system under green mild reaction conditions through visible light irradiation. Compared with the counterparts prepared by the conventional precipitation method (CdS-P) and hydrothermal method (CdS-H), the photocatalytic performance of CdS-G is greatly improved owing to the unique features of the nanostructure, the high surface area, pore volume, visible light absorption and photoelectric properties. The yield of pMBAD (AL) over CdS-G is about 1.6 (5.2) and 1.9 (20.8) times higher than that over CdS-P and CdS-H, respectively. The CdS-G sample exhibits excellent selectivity and stability because its valence band (VB) and conduction band (CB) positions matched well with the redox potentials of pMBA/pMBAD and NB/AL. Furthermore, the photogenerated holes and electrons can be efficiently and directly reacted with pMBA and NB, respectively. The photocatalytic selective oxidation and reduction reaction is a synergistic reaction via producing and consuming protons. The photogenerated holes and electrons could be utilized thoroughly to produce pMBAD and AL, respectively. The molar ratio of pMBA and NB was 3 : 1, and the yield of pMBAD and AL could be successfully achieved at a theoretical ratio of 1 : 1. This work highlights the promising scope for selective organic synthesis in one reaction system under mild conditions using photogenerated electrons and holes directly and simultaneously.
研究领域:
化学
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材料科学
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环境科学
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产品关联
DOI
高影响因子
MOLECULES
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2022
·Vol. 27
·期 22
·7798
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IF 4.927
Yuelin Xu,Fengxi Li,Jinglin Ma,Jiapeng Li,Hanqing Xie,Chunyu Wang,Peng Chen,Lei Wang
Organophosphorus compounds are the core structure of many active natural products. The synthesis of these compounds is generally achieved by metal catalysis requiring specifically functionalized substrates or harsh conditions. Herein, we disclose the phospha-Michael addition reaction of biphenyphosphine oxide with various substituted β-nitrostyrenes or benzylidene malononitriles. This biocatalytic strategy provides a direct route for the synthesis of C-P bonds with good functional group compatibility and simple and practical operation. Under the optimal conditions (styrene (0.5 mmol), biphenyphosphine oxide (0.5 mmol), Novozym 435 (300 U), and EtOH (1 mL)), lipase leads to the formation of organophosphorus compounds in yields up to 94% at room temperature. Furthermore, we confirm the role of the catalytic triad of lipase in this phospha-Michael addition reaction. This new biocatalytic system will have broad applications in organic synthesis.Keywords:lipase;biocatalysts;promiscuity;C-P bonds;Michael addition reactions
研究领域:
有机化学
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生物催化
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酶学
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DOI
PubMed
高影响因子
CHEMICAL ENGINEERING SCIENCE
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2022
·
IF 4.889
Minting Zou,Taoyan Mao,Min Li,Yuxin Mu,Lei Pan,Cheng Zheng
Microwave heating typically hastens the reaction rate and reduces the reaction time of a chemical reaction; thus, it has been gaining attention in organic synthesis research. However, a microwave reaction kinetics model is required during the scale up of a process design in an industrial application. Here, a microwave reaction kinetics model was derived by using dimensional analysis with model parameters, which were determined by nonlinear fitting of experimental data using Matlab. A comparison between the model estimated and experimental values indicated that the error quantitative correlation was small, indicating the validity of the kinetics model.
研究领域:
化学工程
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有机化学
✓ 已验证
产品关联
DOI
高影响因子
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
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2025
·Vol. 61
·期 5
·872-880
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IF 0.9
Tong Mengnan
A versatile, convenient, mild, and efficient method for the synthesis of N-benzoyloxyamines containing alkenone or allyl ester groups, starting from hydroxylamine derivatives, is developed and successfully extended to a broader range of tertiary amine analogs.
研究领域:
有机化学
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药物化学
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合成化学
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生物医学化学
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分子设计
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DOI
高影响因子
Molbank
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2024
·Vol. 2024
·期 2
·M1818
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IF 0.6
Zhongwei Wang,Luxiao Zhou,Peng He,Yukun Qin
This study presents a novel approach in the realm of catalytic organic synthesis by integrating biomass catalytic conversion with organic synthesis techniques. UtilizingN-acetylglucosamine as the primary feedstock, the first phase of the research involves its catalytic transformation into 5-hydroxymethylfurfural (HMF). The subsequent phase employs a condensation reaction between HMF and 3,3-Dimethyl-2-butanone to synthesize a new compound, (E)-1-(5-(hydroxymethyl) furan-2-yl)-4,4-dimethylpent-1-en-3-one. This two-step process not only demonstrates the feasibility of converting biomass into valuable chemical precursors but also exemplifies the synthesis of novel compounds through green chemistry principles. The successful execution of this methodology offers fresh insights and opens new avenues for advancements in catalytic organic synthesis, emphasizing sustainability and efficiency.
研究领域:
有机化学
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生物质能
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催化科学
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产品关联
DOI
高影响因子
ORGANIC LETTERS
·
2024
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IF 4.9
Zhipeng Zong,Jingjing Yang,Lulu Yuan,Xiaojie Wang,Jian-Qiang Chen,Jie Wu
More than 450 drugs containing a carboxylic acid functional group have been marketed worldwide. Herein, we report a concise and environmentally friendly organic photoinduced protocol for the interconversion of carboxylic acids into their bioisosteres. With this strategy, a variety of substrates, including alkyl, (hetero)aryl, and alkenyl acids, as well as various biologically relevant acids are successfully converted into primary sulfonamides.
研究领域:
有机化学
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药物化学
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光化学
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可持续化学
✓ 已验证
DOI
高影响因子
JOURNAL OF ORGANIC CHEMISTRY
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2023
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IF 3.6
Huanhuan Song,Jingwen Li,Yinbin Zhang,Ke Chen,Le Liu,Junjie Zhang,Xin-Hua Duan,Mingyou Hu
Difluoromethylated heterocyclic compounds have found broad applications in numerous bioactive molecules. Herein, we report photoredox catalysis-induced direct C–H difluoromethylation of heterocycles by using bis(difluoromethyl) pentacoordinate phosphorane (PPh3(CF2H)2, 1) as the reagent. A variety of heterocycles, such as quinoxalin-2(1H)-one, thiophene, indole, and coumarin, are readily tailored with a difluoromethyl group. The method is featured as transition-metal-free by using an organic compound Erythrosin B as the catalyst and O2 as the oxidant.
研究领域:
有机化学
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药物化学
✓ 已验证
DOI
PubMed
高影响因子
APPLIED CATALYSIS B-ENVIRONMENTAL
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2018
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IF 11.698
Yongfeng Zhi,Si Ma,Hong Xia,Yumin Zhang,Zhan Shi,Ying Mu,Xiaoming Liu
Metal-free, visible-light driven, solid organic photocatalysts provide a more green and environmentally friendly alternative to traditional metal-based photocatalysts. Donor-Acceepor (D-A) dyads possess a feature of easy to adjust the photoelectric properties, and enhance their photocatalytic performances. Here we report a fascinating strategy for screening excellent organic porous photocatalysts through oxidative coupling of single D -A based monomer, which has still an important advantage to ensure uniformity of polymer structure except for the inherent characteristics of D -A polymers. According to this strategy, three D -A typed conjugated microporous polymer (DA-CMP) photocatalysts consisting of alternating electron-rich (carbazole) and electron-deficient (benzene, 4,7-diphenyl-2,1,3-benzothiadiazole or anthraquinone) units have been synthesized, and their porosity and photoelectric properties including adsorption, emission, lifetime, optical bandgaps, energy levels and transient photocurrent response as well as photocatalytic activity, were conveniently tuned by selecting different D -A monomers with tunable electron-deficient moiety. These DA-CMPs were exploited as metal-free photocatalysts in the oxidative C-H functionalization reactions in the presence of visible-light and molecular oxygen. They showed excellent photocatalytic activity, extensive substrate adaptability and outstanding reusability, due to combining some key features like permanent porosity, outstanding stability and optoelectronic properties. In addition, the reaction mechanism for DA-CMP photocatalyzed C-H functionalization reactions under visible-light irradiation was investigated in detail. Moreover, to prove in depth the benefits of the heterogeneous photocatalysis, a continuous flow procedure has been conducted with an excellent yield.
研究领域:
材料科学
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有机化学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）