RSC Advances
·
2017
·Vol. 7
·期 36
·22485-22491
·
IF 3.108
Hailiang Zhao,Shanshan Tang,Qun Zhang,Lin Du
The weak intermolecular interaction between 2,2,2-trifluoroethanol (TFE) and 3-chloro-2-methyl-1-propene (CMP) has been investigated by gas phase FTIR spectroscopy and DFT calculations. CMP offers two hydrogen bond docking sites to the hydrogen bond donor: the chlorine atom (O–H⋯Cl) and the CC π electron system (O–H⋯π). DFT calculations suggest that MeOH approaches CMP in five different orientations. The structural, energetic, and spectroscopic parameters of the most stable structures in each orientation were studied, and their binding energies range from −25.5 to −19.5 kJ mol−1. The docking to the π system is at least 1 kJ mol−1 more favored than the docking to the chlorine atom. The equilibrium constant for complexation (2.3 × 10−2) was determined from the experimental and calculated intensity of the OH-stretching transition. The Gibbs free energy of formation was found to be 9.3 kJ mol−1. The nature of the non-covalent interaction was analyzed with the atoms in molecules (AIM) method.
研究领域:
物理化学
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结构化学
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分子光谱学
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量子化学计算
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分子间相互作用
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DOI
高影响因子
SYNTHETIC COMMUNICATIONS
·
2018
·
IF 1.377
Xinyuan Ma,Qiong Mo,Jie Chang,Kai Xie
This paper mainly studied Pd-catalyzed regioselective chlorination of disubstituted 1,2,3-triazoles directed by the 1,2,3-triazole ring. A series of regioselective chlorinated products were synthesized in 47–86% yields using Pd(OAc)2 as a catalyst and CuCl2 as a chlorinated reagent. This method provides a new mean for the synthesis of 1,2,3-triazole halides which combines the formation of C-X bond with C-H activation.
研究领域:
有机化学
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合成化学
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DOI
高影响因子
JOURNAL OF ORGANIC CHEMISTRY
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2017
·
IF 4.849
Jian Cheng,Jun Sun,Jiekuan Yan,Song Yang,Pengcheng Zheng,Zhichao Jin,Yonggui Robin Chi
The metal-free catalytic functionalization of aromatic sp2-carbons and benzylic sp3-carbons remains challenging. Here we report a carbene-catalyzed functionalization of the 3-methyl sp3-carbon attached to 2-formyl-indoles. The reaction proceeds through an NHC-bound o-quinodimethane as the key intermediate generated from 2-formyl-3-methylindoles under oxidative conditions. Reactive ketones are found to be effective substrates to produce substituted hydropyrano[3,4-b]indoles in good to excellent yields.
研究领域:
有机化学
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合成化学
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DOI
高影响因子
Journal of Physical Chemistry C
·
2021
·
IF 4.126
Dai Sun,Yu-Le Wang,Peng-Yue Zhu,Hai-Tao Ren,Yong Liu,Song-Hai Wu,Shao-Yi Jia,Xu Han
Mechanisms involved in the photocatalytic oxidation of As(III) are complicated in that various oxidizing species (such as h+, •OH, and O2•–) have been suggested to play important roles in different photocatalytic systems. In this study, Bi2.15WO6 shows high reactivity in the photocatalytic oxidation of As(III) under visible light. Quenching experiments indicate that apart from h+, the surface superoxo (≡Bi–OO•) and peroxo species (≡Bi–OOH) formed on Bi2.15WO6 also contribute to As(III) oxidation. The increased production of H2O2 with increasingly consumed As(III) or with the addition of H-donors such as glucose and various phenolics further reveals that H-abstraction from As(III) or H-donors to ≡Bi–OO• and then to ≡Bi–OOH is an important pathway involved in H2O2 production and As(III) oxidation. In addition, various characterizations confirm that the As(III)–O–Bi(III) surface complexes formed on Bi2.15WO6 enhance the photocatalytic reactivity of Bi2.15WO6 via the ligand-to-metal charge transfer pathway. We therefore suggest that dissolved oxygen is sequentially reduced to ≡Bi–OO• and then to ≡Bi–OOH on Bi2.15WO6, accompanied by H-abstraction from adsorbed or aqueous As(III) to ≡Bi–OO• and ≡Bi–OOH with the formation of H2O2 and the oxidation of As(III). This work enriches our understanding of the mechanisms involved in the photocatalytic oxidation of As(III).
研究领域:
环境科学
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材料科学
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DOI
高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
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2023
·
IF 6.2
Tarek A. Gad-Allah,Ruiyang Zhang,Yi Wang,Ying Zhou
Various factors control the photocatalyst efficiency including the lifetime of photogenerated charge carriers, photocatalyst surface energy, and light harvesting efficacy. In this study, the defective (001)-TiO 2 -x/h-BN composite was synthesized by a facile one-pot method to merge the fantastic features of the reactive metastable (001) facet and self-defects in TiO 2 anatase crystals with the 2D h-BN. Pure anatase phase of TiO 2 was obtained by the suggested preparation method, which contains ∼33 % of the exposed (001) facet. The predominancy of oxygen vacancy in TiO 2 crystals was proved experimentally and theoretically by the DFT calculations. The defects in TiO 2 along with the incorporated h-BN caused better light harvesting and longer charge lifetime. The prepared defective (001)-TiO 2 -x/h-BN was applied efficiently for NO removal with very limited release of the toxic NO 2 by-product as an environmental application. The detected oxygen vacancy in TiO 2 along with h-BN were found to play a synergistic enhancement for NO removal. However, more defects reduced the overall activity because of rapid oxidation of oxygen vacancies on surface of the photocatalyst. To sum up, the defective (001)-TiO 2 -x/h-BN composite can be considered as a promising material for environmental applications.
研究领域:
环境科学
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材料科学
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DOI
高影响因子
Vietnam Journal of Chemistry
·
2023
·Vol. 61
·期 2
·204-209
·
IF 0.9
Nguyen Van Vinh Ha,Nguyen Thi Thu Ha,Ong Ngoc Khanh,Dinh Truc Phuong,Ho Thanh Nhat,Nguyen Thanh Tung
Herein we reported a method for copper pivalate mediated, directed functionalization of ortho C−H bonds in (2-methylthio)aniline benzamides. Diaryl disulfides were used for thiolation, while successful phenoxylation was obtained with phenol as the coupling agent. Our report marks a rare example for flexible transformation of benzamide C(sp 2 )−H bonds into the corresponding unsymmetrical diaryl ethers and thioethers.
研究领域:
有机化学
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合成化学
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DOI
高影响因子
CONSTRUCTION AND BUILDING MATERIALS
·
2021
·
IF 6.141
Feifei Zhou,Ganghua Pan,Renjie Mi,Mimi Zhan
Enhancing the properties of concrete using C-S-H seed has been a challenging task due to its agglomeration in the cement matrix. Here, for ensuring synthetic C-S-H disperse well in the cement matrix, it was first synthesized in situ on fly ash (FA) by co-precipitation method, and the C-S-H grown in situ on FA (C-S-H@FA) was received. And then, its phase composition, morphology and particle size distribution were studied. After that, its effect on the hydration kinetics of cement, and the workability, strength development, pore structure, durability of concrete was explored. The results showed that the hydration of cement can be stimulated more dramatically by C-S-H@FA when compared with C-S-H, as well as the strength development of concrete. Besides, the addition of C-S-H@FA can refine the pores in concrete, and make concrete more compact than incorporating C-S-H. Furthermore, when C-S-H was replaced by C-S-H@FA, the carbonation resistance and drying shrinkage resistance of concrete was improved. Therefore, it can be concluded that the C-S-H grown in situ on FA has better dispersibility than C-S-H in concrete, improving the comprehensive properties of concrete more effectively.
研究领域:
材料科学
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土木工程
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DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2022
·
IF 9.965
Kunpeng Qian,Qianfan Zhou,Sineenat Thaiboonrod,Jianhui Fang,Miao Miao,Hongmin Wu,Shaomei Cao,Xin Feng
With the development of electronic equipment, heat problem and electromagnetic pollution severely affect both their functions and human health, which leads to great interests in developing materials synchronously with outstanding thermal conductivity and electromagnetic interference (EMI) shielding performance. Here, ultrathin Ti 3 C 2 T x /h-BN two-dimensional (2D) heterostructure films were prepared via coulombic assembly between Ti 3 C 2 T x MXene and h-BN nanosheet through ultrasonic blending. After the addition of h-BN nanosheet as thermal conductive nanofillers, the hybrid films achieved a higher value of thermal conductivity, compared to Ti 3 C 2 T x composite film without h-BN. The higher thermal conductivity offered by h-BN enables the Ti 3 C 2 T x /h-BN films have good potential for EMI shielding applications on wearable and portable electronic devices. When the mass ratio of Ti 3 C 2 T x /h-BN is 7:3, the hybrid film with the thickness of 47.60 µm exhibited electrical conductivity of 57.67 S/cm and the maximum EMI shielding effectiveness of 37.29 dB.
研究领域:
材料科学
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电子工程
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DOI
高影响因子
Science China-Chemistry
·
2023
·Vol. 67
·期 1
·374-382
·
IF 9.6
Luo Zhongfeng,Jiang Jingxing,Zou Lifang,Zhou Xiaoyu,Liu Junshan,Ke Zhuofeng,Chen Fengjuan,Jiang Huanfeng,Zeng Wei
We disclose the development of the Rh-catalyzed amine-directed remote 5,6-carboamination protocol of pyridines via dual Csp 2 –H functionalizations. A variety of readily available 2-aminopyridines and 1,2,3-triazoles are allowed for coupling cyclization to access polyfunctionalized azaindoles. Mechanistic studies including DFT calculations unveil that relay carbenoid-electrophilic addition to pyridines and the sequential pyridyl Csp 2 –H amination are involved in this transformation. The post-synthetic utility of this methodology is showcased by versatile and site-selective modification of azaindoles.
研究领域:
有机化学
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催化化学
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DOI
高影响因子
CHINESE JOURNAL OF CHEMISTRY
·
2022
·Vol. 41
·期 3
·307-313
·
IF 5.56
Run-Ze Yuan,Peng-Fei Cui,Yue-Jian Lin,Guo-Xin Jin
Comprehensive Summary Herein, we describe the synthesis of a carborane-supported octanuclear palladacycle complex, Pd 8 ( o -C 2 B 10 H 10 CS 2 CH 3 ) 4 Cl 4 (CH 3 CN) 4 (complex 1 ), with B(3)–H activations on o -carborane ligand. The substitution reaction of 1 has been explored, and three of its substituted complexes Pd 8 ( o -C 2 B 10 H 10 CS 2 CH 3 ) 4 Cl 4 (L) 4 (L = t BuNC, 2 ; L = C 5 H 5 N, 3 ; L = C 4 H 8 S, 4 ) have been synthesized. The m - and p -carborane disubstituted ligands m - and p -C 2 B 10 H 10 (CS 2 CH 3 ) 2 (ligands 5 and 6 ) as well as their B—H activated carborane complexes [ m -C 2 B 10 H 9 (CS 2 CH 3 ) 2 PdCl] ( 7 ) and [ p -C 2 B 10 H 8 (CS 2 CH 3 ) 2 ][PdCl( t BuNC)] 2 ( 8 ) have also been synthesized by the similar method. All of these complexes have been characterized, including X-ray single crystal diffraction, NMR spectroscopy, IR spectroscopy and elemental analysis methods.
研究领域:
无机化学
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材料科学
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DOI
高影响因子
PLoS One
·
2024
·Vol. 19
·期 8
·e0306043
·
IF 2.9
Yuping Liao,Feng Zhang,Fang Yang,Shijin Huang,Sha Su,Xuemei Tan,Linlin Zhong,Lingjie Deng,Lihong Pang
Background
Haemoglobin H (HbH) disease is caused by a disorder of α-globin synthesis, and it results in a wide range of clinical symptoms. M 6 A methylation modification may be one of the mechanisms of heterogeneity. Therefore, this article explored the role of methyltransferase like 16 (METTL16) in HbH disease.
Method
The results of epigenetic transcriptome microarray were analysed and verified through bioinformatic methods and qRT-PCR, respectively. The overexpression or knock down of METTL16 in K562 cells was examined to determine its role in reactive oxygen species (ROS), cell cycle processes or iron overload. YTH domain family protein 3 (YTHDF3) was knocked down in K562 cells and K562 cells overexpressing METTL16 via siRNA to investigate its function. In addition, haemoglobin expression was detected through benzidine staining. qRT-PCR, WB, methylated RNA Immunoprecipitation (MeRIP) and (RNA Immunoprecipitation) RIP experiments were conducted to explore the mechanism of intermolecular interaction.
Results
METTL16, YTHDF3 and solute carrier family 5 member 3 (SLC5A3) mRNA and the methylation level of SLC5A3 mRNA were downregulated in HbH patients. Insulin-like growth factor 2 mRNA-binding protein 3 (IGF2BP3) mRNA expression was negatively correlated with HGB content among patients with HbH-CS disease. Overexpression of METTL16 increased ROS and intracellular iron contents in K562 cells, changed the K562 cell cycle, reduced hemin-induced haemoglobin synthesis, increased the expressions of SLC5A3 and HBG and increased SLC5A3 mRNA methylation levels. Knockdown of METTL16 reduced ROS and intracellular iron contents in K562 cells. Hemin treatment of K562 cells for more than 14 days reduced the protein expressions of METTL16 and SLC5A3 and SLC5A3 mRNA methylation levels. Knockdown of YTHDF3 rescued the intracellular iron content changes induced by the overexpression of METTL16. The RIP experiment revealed that SLC5A3 mRNA can be enriched by METTL16 antibody.
Conclusion
METTL16 may affect the expression of SLC5A3 by changing its m 6 A modification level and regulating ROS synthesis, intracellular iron and cycle of red blood cells. Moreover, METTL16 possibly affects the expression of haemoglobin through IGF2BP3, which regulates the clinical phenotype of HbH disease.
研究领域:
分子生物学
·
血液学
·
表观遗传学
·
细胞生物学
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DOI
PubMed
高影响因子
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
·
2022
·Vol. 2022
·期 33
·e202200316
·
IF 3.261
Yong Wang,Hui Wang,Qifan Yang,Shihua Xie,Hongjun Zhu
Graphical Herein, palladium(II)-catalyzed halogenation of 2-phenylquinazolines using N -halosuccinimides as halogen sources was described via C−H activation under mild reaction conditions. A series of halogen-substituted 2-arylquinazolines were synthesized through C−H functionalization. An efficient quinazoline-assisted ortho -halogenation of 2-arylquinazolines has been developed using N -halosuccinimides as halogen sources with Pd(II)-catalyzed C−H bond activation. No additional ligand and oxidant are required. This protocol is highly regioselective and applicable to a broad range of quinazoline substrates bearing different functional groups, giving yields of up to 98 %. The mechanism of the quinazoline ortho -halogenation was investigated by comprehensive experimentation.
研究领域:
有机化学
·
合成化学
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DOI
高影响因子
危险品化学品经营许可证（带存储）