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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 9.211 12 Issues per Year
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Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC04069H, Edge Article
In this paper, we report an efficient strategy for synthesis of Cu/Co double-doped CeO2 nanospheres (CuxCo1-x-CeO2-Pt, 0≤x≤1), which were fabricated via a simple water-glycol system. The following in situ surface...
Wenhai Lin, Tingting Sun, Zhigang Xie, Kai Jing Gu and Xiabin Jing
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03707G, Edge Article
One-step synthesis of fluorescent molecules (SNBDP) containing one disulfide bond and two o-nitro benzyl groups was demonstrated via multi-component Passerini reaction. This hydrophobic SNBDP could self-assemble into nanocapsules (SNBDP NCs)...
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03689E, Edge Article
We report the first seven-dimensional quantum dynamics study for the dissociative chemisorption of H2O on Cu(111) using the time-dependent wave-packet approach, based on an accurate nine-dimensional potential energy surface (PES)...
Gaelle Michaud, Ricardo Visini, Myriam Bergmann, Gianluca Salerno, Rosa Bosco, Emilie Gillon, Barbara Richichi, Cristina Nativi, Anne Imberty, Achim Stocker, Tamis Darbre and Jean-Louis Reymond
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03635F, Edge Article
Antibiotic resistance in the opportunistic pathogen Pseudomonas aeruginosa is partly caused by biofilms forming a physical barrier to antibiotic penetration. Here we focused on modifying tetravalent glycopeptide dendrimer ligands of...
N. A. Hosny, C. Fitzgerald, A. Vyšniauskas, A. Athanasiadis, T. Berkemeier, N. Uygur, U. Pöschl, M. Shiraiwa, M. Kalberer, F. D. Pope and M. K. Kuimova
Chem. Sci., 2016, Advance Article
DOI: 10.1039/C5SC02959G, Edge Article
We report quantitative, real-time, online observations of microscopic viscosity changes in aerosol particles of atmospherically relevant composition, using fluorescence lifetime imaging (FLIM) of viscosity.
Chem. Sci., 2016, Advance Article
DOI: 10.1039/C5SC03443D, Edge Article
Here we combine perturbation theory with the Feynman–Kac imaginary-time path integral approach to quantum mechanics for modeling quantum nuclear effects.
Gaia Neri, Iain Aldous, James J Walsh, Laurence Hardwick and Alexander J. Cowan
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03225C, Edge Article
The development of selective electrocatalysts for CO2 reduction in water offers a sustainable route to carbon based fuels and feedstocks. However, molecular catalysts are typically studied in non-aqueous solvents, in...
Massimo Delle Piane, Marta Corno, Roberto Orlando, Roberto Dovesi and Piero Ugliengo
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03447G, Edge Article
Molecular simulations of proteins have been usually accomplished through empirical or semi-empirical potentials, due to the large size and inherent complexity of these biological systems. On the other hand, a...
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03591K, Edge Article
We describe a unique approach for the development of an interesting type of the fluorescent probes, which can show different modes of fluorescence signals to distinct concentration ranges of a...
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03420E, Edge Article
Although X-ray crystallography is the “gold standard” method for protein higher-order structure analysis, the challenges of antibody crystallization and the time-consuming data analysis involved make this technique unsuitable for routine...
Marcus Anthony Tofanelli, Kirsi Salorinne, Thomas W. Ni, Sami Malola, Brian S Newell, Billy Phillips, Hannu Häkkinen and Christopher J. Ackerson
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC02134K, Edge Article
The relationship between oxidation state, structure, and magnetism in many molecules is well described by first-order Jahn-Teller effects. This relationship is not yet well defined for ligated nanoclusters and nanoparticles,...
Chem. Sci., 2016, Advance Article
DOI: 10.1039/C5SC04034E, Edge Article
A hyper-crosslinked β-cyclodextrin porous polymer (BnCD-HCPP) was designed and synthesized facilely by β-cyclodextrin benzylation and subsequent crosslinking for efficient adsorption and catalysis.
Yulia Shaulov-Rotem, Emmanuelle Merquiol, Tommy Weiss-Sadan, Ofra Moshel, Seth Salpeter, Doron Shabat, Farnusch Kaschani, Markus Kaiser and Galia Blum
Chem. Sci., 2016, Advance Article
DOI: 10.1039/C5SC03207E, Edge Article
A selective quenched activity-based probe detects caspase-3 activity in the endoplasmic reticulum of cancerous cells during apoptosis.
Chem. Sci., 2016, Advance Article
DOI: 10.1039/C5SC03214H, Edge Article
Single molecule fluorescence microscopy has shown that samarium oxide nanoparticles efficiently catalyze the formation of coumarin 153 via a semi-heterogeneous catalytic process.
Chem. Sci., 2016, Advance Article
DOI: 10.1039/C5SC03325J, Edge Article
We conducted a systematic study of the control of selective adsorption behaviour through the type of central metals in a series of analogous MOFs that show closed-open structural transformations.
Chem. Sci., 2016, Advance Article
DOI: 10.1039/C5SC03655K, Edge Article
Human S100A12 exhibits Ca(II)-dependent Zn(II)-binding properties and antifungal activity.
Guannan Li, Haibo Huang, Bowen Yu, Yun Wang, Jiawei Tao, Yingxu Wei, Shougui Li, Zhongmin Liu, Yan Xu and Ruren Xu
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03837E, Edge Article
Hierarchical zeolite monoliths with multimodal porosity is of paramount importance as it opens up new horizons for advanced applications. So far, hierarchical zeolites based on nanotube scaffolds have never been...
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03963K, Edge Article
The halogenation of metallapentalyne led to the formation of metallapentalenes, which were fully characterized and studied by DFT calculations. The experimental and computational studies indicate that four resonance forms contribute...
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03583J, Edge Article
Real-time monitoring of reactive oxygen species (ROS, particularly singlet oxygen) generation during photodynamic therapy is a great challenge due to its extremely short half-life and small radius of action. To...
Matthew Gregson, Nicholas F Chilton, Ana-Maria Ariciu, Floriana Tuna, Iain Crowe, William Lewis, Alexander J. Blake, David Collison, Eric J L McInnes, R E P Winpenny and Stephen Liddle
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03111G, Edge Article
We report a dysprosium(III) bis(methanediide) single molecule magnet (SMM) where stabilisation of the highly magnetic states and suppression of mixing of opposite magnetic projections is imposed by a linear arrangement...
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC04099J, Edge Article
Mitochondrial polarity is a crucial characteristic of the indispensable organelles, tremendously impacting cellular events. Herein, we describe a new mitochondria-targeting fluorescent probe MCY-BF2 that is singularly sensitive and specifically responsive...
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03570H, Edge Article
Boolean logic gates integrate multiple digital inputs into a digital output. Among these, logic gates based on nucleic acids have attracted a great deal of attention due to the perspectives...
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03287C, Edge Article
Calprotectin (CP, S100A8/S100A9 oligomer, MRP-8/14 oligomer, calgranulins A and B) is a protein component of the innate immune system that contributes to the metal-withholding response by sequestering bioavailable transition metal...
John David Bagert, Julia C. van Kessel, Michael J. Sweredoski, Lihui Feng, Sonja Hess, Bonnie L. Bassler and David Tirrell
Chem. Sci., 2015, Accepted Manuscript
DOI: 10.1039/C5SC03340C, Edge Article
Bacteria use a process of chemical communication called quorum sensing to assess their population density and to change their behavior in response to fluctuations in the cell number and species...
Jing Zhang, Chengyuan Wang, Guankui Long, Naoki Aratani, Hiroko Yamada and Qichun Zhang
Chem. Sci., 2016, Advance Article
DOI: 10.1039/C5SC03604F, Edge Article
An unexpected N-heteroacene with a slipped two-dimensional ladder-like packing feature shows a hole mobility up to 0.3 cm2 V−1 s−1, while theoretical calculations suggest that this compound possesses potential well-balanced ambipolar charge-transport characteristics.

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