Journal cover: Chemical Science

Chemical Science

For findings of exceptional significance from across the chemical sciences
All articles free to read, free to publish* from 2015
*Article processing charges waived for articles published in 2015 and 2016
Impact Factor 8.601 12 Issues per Year Immediacy Index 3.07
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Jeffrey S. Bandar, Alexandre Barthelme, Alon Y. Mazori and Tristan H. Lambert
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC02402H, Edge Article
New insights aid in the understanding and design of cyclopropenimine-based asymmetric catalysts.
Yang Li, Jiali Hong, Renjian Wei, Yingying Zhang, Zaizai Tong, Xinghong Zhang, Binyang Du, Junting Xu and Zhiqiang Fan
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC03593C, Edge Article
Carbon dioxide-based multiblock copolymers were synthesized by a one-pot/one-step three-component polymerization of cyclohexene oxide, ε-caprolactone and CO2 via cross-chain exchange reaction at two catalysts.
Mala A. Sainna, Suresh Kumar, Devesh Kumar, Simonetta Fornarini, Maria Elisa Crestoni and Sam P. de Visser
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC02717E, Edge Article
Trends in oxygen atom transfer to Compound I of the P450 models with an extensive test set have been studied and show a preferred regioselectivity of epoxidation over hydroxylation in the gas-phase for the first time.
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC03491K, Edge Article
Frequency-, angle-, and time-resolved photoelectron imaging of gas-phase menadione (vitamin K3) radical anions is used to show that quasi-bound resonances of the anion can act as efficient doorway states to...
David Parker, Alex Funk, Katie-Louise Finney, Peter Harvey, Emily Neil, Kanthi Senanayake, Nicola Rogers and Alan M Kenwright
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC03429E, Edge Article
The origins of the breakdown of Bleaney’s theory of magnetic anisotropy are described, based on an analysis of eleven different complexes of the second half of the 4f elements that...
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC03627A, Edge Article
Of the many types of catalysis involving two or more catalysts, synergistic catalysis is of great interest because novel reactions or reaction pathways may be discovered when there is synergy...
Darren Bradshaw, Jia Huo, Jordi Aguilera-Sigalat and Samir El-Hankari
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC03367A, Edge Article
In this contribution we report a synthetic strategy for the encapsulation of functional biomolecules within MOF-based microcapsules. We employ an agarose hydrogel droplet Pickering-stabilised by UiO-66 and magnetite nanoparticles as...
Cornelia Leonie Boeser, Jeffrey C. Holder, Buck L. H. Taylor, K Houk, Brian M. Stoltz and Richard N. Zare
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC03337J, Edge Article
An asymmetric palladium-catalyzed conjugate addition reaction of arylboronic acids to enone substrates was investigated mechanistically. Desorption electrospray ionization coupled to mass spectrometry was used to identify intermediates of the catalytic...
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC01592D, Edge Article
DFT calculations are used to elucidate the reaction mechanism, the role of the chlorosilyl group, and primary vs. secondary and C(sp3)–H vs. C(sp2)–H selectivity of the iridium-catalyzed borylation of chlorosilanes.
Alexander S. Filatov, Sarah N Spisak, Alexander V Zabula, James McNeely, Andrey Yu Rogachev and Marina A Petrukhina
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC03485F, Edge Article
Self-assembly processes of the highly reduced bowl-shaped corannulene generated by the chemical reduction with a binary combination of alkali metals, namely Li/Rb, have been investigated by variable-temperature 1H and 7Li...
Long K San, Eric V Bukovsky, Bryon W. Larson, James B. Whitaker, Shihu Deng, Nikos Kopidakis, Garry Rumbles, Alexey A Popov, Yu-Sheng Chen, Xue-Bin Wang, Olga V. Boltalina and Steven H Strauss
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC02970D, Edge Article
Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based...
Lourdes Maestre, Erhan Ozkal, Carles Ayats, Álvaro Beltrán, M. Mar Díaz-Requejo, Pedro J. Pérez and Miquel A. Pericàs
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC03277B, Edge Article
Carbene transfer reactions can be performed in batch and flow with a highly active, chemically stable heterogenized tris(triazolyl)methyl copper(I) catalyst.
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC03588G, Edge Article
In response to external stimuli the α-D-glucose molecule extensively transforms its H-bonding pattern and conformation. High-pressure reverses the linear compressibility and converts the hierarchy of intermolecular interactions in crystalline α-D-glucose....
Hongmei Sun, Christopher A. Hunter and Eva Marina Llamas
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC03398A, Edge Article
Binding affinity does not increase uniformly with preorganization, because there is a trade off between flexibility and fit.
Yafeng He, Yin Ding, Dan Wang, Wanjun Zhang, Weizhong Chen, Xichun Liu, Weijie Qin, Xiaohong Qian, Hao Chen and Zijian Guo
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC03650F, Edge Article
Cisplatin, one of the most effective anticancer drugs, is a DNA-damaging agent that induces cell death primarily by apoptosis. For many years, HMGB1 has been known to be a recognition...
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC03223C, Edge Article
A new mechanistic model is developed for the sequence of events by which oxygen-tolerant [NiFe] hydrogenase enzymes respond to O2.
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC03122A, Edge Article
Energy transfer is demonstrated within a responsive donor–acceptor system which incorporates two different semiconducting units (oligo(p-phenylenevinylene and quaterthiophene) coassembled within peptide nanostructures in completely aqueous environments.
S. Tominaka, H. Hamoudi, T. Suga, T. D. Bennett, A. B. Cairns and A. K. Cheetham
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC03295K, Edge Article
A dense, insulating metal–organic framework (MOF), is successfully converted into a semiconducting amorphous MOF via a topochemical route.
Toru Aoki, Hayato Sakai, Kei Ohkubo, Tomo Sakanoue, Taishi Takenobu, Shunichi Fukuzumi and Taku Hasobe
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC02787F, Edge Article
We have successfully observed ultrafast photoinduced electron transfer in face-to-face charge-transfer π-complexes of planar porphyrins and hexaazatriphenylene derivatives.
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC02676D, Edge Article
We report the first photoinduced single-crystal-to-single-crystal phase transition of a gold complex that involves shortening of intermolecular aurophilic bonds. The gold(I) isocyanide complex also shows a photosalient effect.
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC02806F, Edge Article
Dynamic catalyst structuring and the hydrogen evolution activity enhancement at nanoscale, as predicted by a first principles global optimization method.
Won Joon Choi, Sungkyu Choi, Kei Ohkubo, Shunichi Fukuzumi, Eun Jin Cho and Youngmin You
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC02537G, Edge Article
Pt(II) complexes catalyse the visible light-driven trifluoromethylation of alkenes and heteroarenes with improved quantum yields, due to strict adherence to an oxidative quenching pathway.
Wenpei Fan, Bo Shen, Wenbo Bu, Xiangpeng Zheng, Qianjun He, Zhaowen Cui, Kuaile Zhao, Shengjian Zhang and Jianlin Shi
Chem. Sci., 2014, Accepted Manuscript
DOI: 10.1039/C4SC03080J, Edge Article
The clinically applied chemotherapy and radiotherapy is sometimes not effective due to the limited dose acting on DNA chains resident in the nuclei of cancerous cells. Herein, we develop a...
Arijit Mallick, Bikash Garai, Matthew A. Addicoat, Petko St. Petkov, Thomas Heine and Rahul Banerjee
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC03224A, Edge Article
A new Mg(II) based porous metal–organic framework (MOF) has been synthesized from naphthalenediimide (NDI) chromophoric unit containing linker. This MOF (Mg–NDI) shows instant and reversible photochromism as well as solvatochromic behavior. Due to the presence of electron deficient NDI moiety, this MOF exhibits selective organic amine (electron rich) sensing in solid state.
Florian Hering, Jörn Nitsch, Ursula Paul, Andreas Steffen, F. Matthias Bickelhaupt and Udo Radius
Chem. Sci., 2015, Advance Article
DOI: 10.1039/C4SC02998D, Edge Article
Experimental and theoretical investigations on the novel 14 VE complexes [M0(iPr2Im)2] (M = Pd 3, Pt 4; iPr2Im = 1,3-di-isopropyl-imidazolin-2-ylidene) and a comparison to their Ni congener reveal that NHC–M–NHC angle bending is a key to understand the reactivity of d10-[M(NHC)2] complexes.

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