Review
Chemistry, Organic
Malcolm J. D'Souza, Dennis N. Kevill
Summary: This article reviews several studies on the solvolysis mechanisms of alkanesulfonyl chlorides and arenesulfonyl chlorides. The use of the extended Grunwald-Winstein equation and kinetic solvent isotope effects in studying solvolysis reactions is emphasized. There is also a discussion on other sulfur(VI) substrates such as anhydrides, sulfamoyl chlorides, and chlorosulfate esters, which will be the topics of future research.
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Nianjie Kuang, Shenglai Yang, Zhongtao Yuan, Meng Wang, Zheng Zhang, Xisheng Zhang, Mengyu Wang, Yuxiang Zhang, Shuai Li, Jianbang Wu, Wenfeng Lv
Summary: This study investigates the use of oil and gas amphiphilic surfactants to improve CO2 flooding efficiency and explores the mechanism through experiments. The results show that the addition of compound systems significantly enhances oil displacement efficiency, making it an effective method to improve the geological utilization of CO2.
Article
Chemistry, Physical
Hua Ren, Qiuyu Zhang, Baoliang Zhang, Qingfei Song
Summary: This study proposes a method to estimate the preferred alkane carbon number (PACN) of nonionic surfactants directly from dissipative particle dynamics (DPD) simulation, allowing for quantitative comparison and classification of surfactants.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Physical
Giuseppe Tartaro, Gwenola Le Mouee, Sander Van Loon, Gerardo Palazzo
Summary: Commercial non-ionic surfactants are complex mixtures with different affinities for oil and aqueous phases. This dependence on concentration requires a rational explanation for their use in surfactant-based formulations. This study investigates the phase behavior of these surfactants in the presence of brine and oil. A model is proposed to describe the behavior of the surfactant mixture, which consists of two pseudo-components that quantitatively predict the behavior of the mixtures.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Organic
Lingyun Yao, Jun Ying, Xiao-Feng Wu
Summary: A nickel-catalyzed carbonylative cyclization of 2-nitroalkynes and aryl iodides has been developed for the expedite construction of N-benzoyl indole scaffolds, with high efficiency and moderate to high yields. Control experiments were performed to better understand the reaction mechanism.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Jiandong Guo, Dongju Zhang, Xiaotai Wang
Summary: This study presents a novel hydrodefluorination reaction initiated by nickel hydride HAT, providing mechanistic insights and implications for developing new metal hydride HAT-initiated reactions.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Nathan P. Alexander, Ronald J. Phillips, Stephanie R. Dungan
Summary: Model equations for the Rayleigh ratio and the electric field autocorrelation function are derived using thermodynamic fluctuation theory applied to crowded solute-containing micellar solutions and microemulsions with negligible molecular species and polydispersity. The research investigates the influence of self-assembly on light scattering correlation functions and finds that self-assembly driven variations in micelle properties do not affect the scattering functions in the limit of zero local polydispersity.
Article
Chemistry, Multidisciplinary
Angus Olding, Curtis C. Ho, Debabrata Maiti, Alex C. Bissember
Summary: This article explores a series of case studies that examine key strategies enabling the structural authentication of important species in palladium- and nickel-catalysed C-C, C-N, and C-O cross-coupling reactions. It focuses on studies confirming the structures of challenging intermediates using X-ray crystallography, while providing mechanistic insights from these reports.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Venkadesh Balakrishnan, Vetrivelan Murugesan, Bincy Chindan, Ramesh Rasappan
Summary: In nickel-mediated Kumada cross-coupling reactions, the stability and reactivity of low valent active nickel complexes are determined by ligands. Recent studies have shown that AgF can reduce the decomposition of active nickel complexes, and both Ni(0) and Ni(I) have been identified as active species in these reactions.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Organic
Qiu-Qi Mu, Ao-Xin Guo, Xin Cai, Yang-Yang Qin, Xing-Le Liu, Fang-Zhen Ye, Hui-Jie Yang, Xiong Xiao, Xue-Wei Liu
Summary: This study presents a cobalt-catalyzed C3-glycosylation of indoles using unfunctionalized glycals, leading to the production of 3-indolyl-C-deoxyglycosides. These compounds have potential as SGLT2 inhibitors for the treatment of type 2 diabetes. Control experiments revealed that cobalt plays a dual role, facilitating C-glycosylation and driving the anomerization of alpha-anomers through endocyclic cleavage of the C1-O5 bond to form beta-C-deoxyglycosides. Moreover, density functional theory (DFT) calculations highlighted the significant role of the pyridine group of indole in stabilizing transition states and intermediates.
Article
Chemistry, Organic
Qiu-Qi Mu, Ao-Xin Guo, Xin Cai, Yang-Yang Qin, Xing-Le Liu, Fang-Zhen Ye, Hui-Jie Yang, Xiong Xiao, Xue-Wei Liu
Summary: This study presents a cobalt-catalyzed C3-glycosylation reaction using unfunctionalized glycals to synthesize 3-indolyl-C-deoxyglycosides. These compounds show potential as sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for type 2 diabetes treatment. Control experiments revealed that cobalt plays a dual role in facilitating catalytic C-glycosylation and driving the anomerization of alpha-anomers through endocyclic cleavage, resulting in the formation of beta-C-deoxyglycosides. Additionally, density functional theory (DFT) calculations highlighted the significant role of the pyridine group of indole in stabilizing transition states and intermediates.
Article
Chemistry, Multidisciplinary
He Liu, Jian Wu, Yuxuan Jin, Xuebing Leng, Qilong Shen
Summary: By studying the copper-mediated trifluoromethylation reaction, more reactive intermediates [CuCF3] and [(DMF)CuCF3] were discovered. A general mechanistic map for CuI-promoted trifluoromethylation reaction was proposed, leading to the development of a new trifluoromethylation method based on this mechanistic understanding.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Organic
Santiago Barroso, Markus Joksch, Pim Puylaert, Sergey Tin, Stephen J. Bell, Luke Donnellan, Stewart Duguid, Colin Muir, Peichao Zhao, Vittorio Farina, Duc N. Tran, Johannes G. de Vries
Summary: This study presents an improvement in the preparation of aryl boronic acids and esters, with the use of specific bases allowing for fast reactions at lower temperatures and low palladium loading. Mechanistic studies reveal that the inhibitory effect of carboxylate anions on the catalytic cycle can be minimized by 2-ethyl hexanoate, enabling borylation of a wide range of substrates under mild conditions.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Raymond F. Turro, Julie L. H. Wahlman, Z. Jaron Tong, Xiahe Chen, Miao Yang, Emily P. Chen, Xin Hong, Ryan G. Hadt, K. N. Houk, Yun-Fang Yang, Sarah E. Reisman
Summary: Mechanistic investigations of the Ni-catalyzed asymmetric reductive alkenylation of N-hydroxyphthalimide (NHP) esters and benzylic chlorides were conducted. The study revealed divergent mechanisms for these related transformations, with the mechanism of C(sp(3)) activation changing depending on the reactants used. Kinetic experiments showed that the rate of NHP ester reduction can be tuned by changing the Lewis acid. Spectroscopic studies and DFT calculations provided insights into the catalyst resting state and the origin of enantioinduction for the Ni-BOX catalyst.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Environmental Sciences
Fanqi Jing, Junjie Guan, Wei Tang, Jiawei Chen
Summary: The synthesis of clay-biochar composite has been recognized as an effective method for pollutant removal, however, the interaction between clay mineral and biomass and their sorption capacity for contaminants are not well understood. This study investigated the effects of different types of biochar and clay minerals on the removal of pollutants. The results showed that clay minerals could enhance the reaction and structure of biomass, and different combinations of materials had different sorption capacities for pollutants.
ENVIRONMENTAL POLLUTION
(2022)
