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An efficient t-BuOK promoted C3-chalcogenylation of indoles with dichalcogenides

03.07.2018 | Yuanzu Yu; Yan Zhou; Zengqiang Song; Guang Liang, Organic & Biomolecular Chemistry, 2018

A versatile and efficient method for the synthesis of 3-chalcogenyl-indoles from indoles and dichalcogenides employing t-BuOK as a promoter at room temperature has been achieved. The present protocol exhibited a broad functional group tolerance. Diverse 3-sulfenyl- and 3-selenyl-indoles were ...


Spontaneous domain formation in disordered copolymers as a mechanism for chromosome structuring

03.07.2018 | Matteo Negri; Marco Gherardi; Guido Tiana; Marco Cosentino Lagomarsino, Soft Matter, 2018

Motivated by the problem of domain formation in chromosomes, we studied a co--polymer model where only a subset of the monomers feel attractive interactions. These monomers are displaced randomly from a regularly-spaced pattern, thus introducing some quenched disorder in the system. Previous work ...


The proportion of Met80-sulfoxide dictates peroxidase activity of human cytochrome c

03.07.2018 | Rinky D. Parakra; Torsten Kleffmann; Guy N. L. Jameson; Elizabeth C. Ledgerwood, Dalton Transactions, 2018

The peroxidase activity of cytochrome c is proposed to contribute to apoptosis by peroxidation of cardiolipin in the mitochondrial inner membrane. However, cytochrome c heme is hexa-coordinate with a methionine (Met80) on the distal side, stopping it from acting as an efficient peroxidase. The ...


Insertion of CS2 into the Mg-H bond: synthesis and structural characterization of the magnesium dithioformate complex, [TismPriBenz]Mg([small kappa]2-S2CH)

03.07.2018 | Michael Rauch; Gerard Parkin, Dalton Transactions, 2018

The tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl magnesium hydride compound, [TismPriBenz]MgH, undergoes insertion of CS2 into the Mg–H bond at room temperature to give [TismPriBenz]Mg(κ2-S2CH), the first structurally characterized magnesium dithioformate compound. The dithioformate ...


Investigation on photoluminescence properties, Judd-Ofelt analysis, luminescence nanothermometry and optical heating behaviour of Er3+/Eu3+/Yb3+: NaZnPO4 nanophosphors

03.07.2018 | Lakshmi Mukhopadhyay; Vineet Rai, New Journal of Chemistry, 2018

Er3+/Eu3+/Yb3+: NaZnPO4 nanophosphors synthesized by co-precipitation technique have been structurally and optically characterized. The effect of Eu3+ ion concentration on photoluminescence (PL) emission intensity and the energy transfer mechanisms implicated in the present nanophosphors has been ...


Molecular motions in a fluxional ([small eta]6-indenyl)tricarbonylchromium hemichelate: a density functional theory molecular dynamics study

03.07.2018 | Nicolas Sieffert, Dalton Transactions, 2018

A comprehensive Density Functional Theory (DFT) study is reported on molecular motions occurring in a hemichelate complex, formally composed of the (η3-2-methylallyl)Pd(ii) cation bonded to a (η6-indenyl)tricarbonylchromium anion, that has been recognized as being highly fluxional in a previous ...


Hydrogen-bonded organic frameworks: design, structures and potential applications

03.07.2018 | Jie Luo; Jia-Wei Wang; Ji-Hong Zhang; Shan Lai; Di-Chang Zhong, CrystEngComm, 2018

Hydrogen-bonded organic frameworks (HOFs), a new type of porous material following the metal-organic frameworks (MOFs), covalent organic frameworks (COFs), etc., have emerged as one of the promising candidates in diverse potential applications. In this highlight, we summarize the key progress of ...


On the possibility of an Eley–Rideal mechanism for ammonia synthesis on Mn6N5+x (x = 1)-(111) surfaces

03.07.2018 | Constantinos D. Zeinalipour-Yazdi, Physical Chemistry Chemical Physics, 2018

Recently we reported an Eley–Rideal/Mars–van Krevelen mechanism for ammonia synthesis on cobalt molybdenum nitride (Co3Mo3N). In this mechanism hydrogenation of activated dinitrogen occurs directly from the gas phase in a low barrier step forming a hydrazinylidene intermediate [[double bond, ...


Harnessing electrostatic catalysis in single molecule, electrochemical and chemical systems: a rapidly growing experimental tool box

03.07.2018 | Simone Ciampi; Nadim Darwish; Heather M. Aitken; Ismael Díez-Pérez; Michelle L. Coote, Chemical Society Reviews, 2018

Static electricity is central to many day-to-day practical technologies, from separation methods in the recycling of plastics to transfer inks in photocopying, but the exploration of how electrostatics affects chemical bonding is still in its infancy. As shown in the Companion Tutorial, the ...


Protein-protein interactions of Human Glyoxalase II: findings of a reliable docking protocol

03.07.2018 | Roberta Galeazzi; Emiliano Laudadio; Emanuele Falconi; Luca Massaccesi; Luisa Ercolani; Giovanna Mobbili; Cristina ..., Organic & Biomolecular Chemistry, 2018

Glyoxalase II (GlxII) is an antioxidant glutathione-dependent enzyme, which catalyzes the hydrolysis of S-D-lactoylglutathione to form D-lactic acid and glutathione (GSH). The last product is the most important thiol reducing agent present in all eukaryotic cells that have mitochondria and ...


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