Tuesday, October 27, 2015

Scientific Reports Chemistry Table of Contents e-alert: 27 October 2015

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  27 October 2015   
 
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Welcome to your Table of Contents e-alert for Scientific Reports

 
 
   
 
 
 
Chemical Sciences
 
 
 
 
 
 
 

Chelating effect in short polymers for the design of bidentate binders of increased affinity and selectivity

 
 

Sara Fortuna, Federico Fogolari, Giacinto Scoles

 
 

The design of new strong and selective binders is a key step towards the development of new sensing devices and effective drugs. Both affinity and selectivity can be increased …

 
 
 
 
 
 

Aluminum plasmonic photocatalysis

 
 

Qi Hao, Chenxi Wang, Hao Huang et al.

 
 

The effectiveness of photocatalytic processes is dictated largely by plasmonic materials with the capability to enhance light absorption as well as the energy conversion …

 
 
 
 
 
 

Gold Nanoparticle Aggregation as a Probe of Antifreeze (Glyco) Protein-Inspired Ice Recrystallization Inhibition and Identification of New IRI Active Macromolecules

 
 

Daniel E. Mitchell, Thomas Congdon, Alison Rodger et al.

 
 

Antifreeze (glyco)proteins are found in polar fish species and act to slow the rate of growth of ice crystals; a property known as ice recrystallization inhibition. The ability …

 
 
 
 
 
 

Thermodynamics of protein denaturation at temperatures over 100 °C: CutA1 mutant proteins substituted with hydrophobic and charged residues

 
 

Yoshinori Matsuura, Michiyo Takehira, Yasumasa Joti et al.

 
 

Although the thermodynamics of protein denaturation at temperatures over 100 °C is essential for the rational design of highly stable proteins, it is not understood well because …

 
 
 
 
 
 

Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme

 
 

Xin Zhao, Shunqing Wu, Xiaobao Lv et al.

 
 

Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or …

 
 
 
 
 
 

The roles of lithium-philic giant nitrogen-doped graphene in protecting micron-sized silicon anode from fading

 
 

Xiaoxu Liu, Dongliang Chao, Qiang Zhang et al.

 
 

A stable Si-based anode with a high initial coulombic efficiency (ICE) for lithium-ion batteries (LIB) is critical for energy storage. In the present paper, a new scalable method …

 
 
 
 
 
 

Gas Evolution in Operating Lithium-Ion Batteries Studied In Situ by Neutron Imaging

 
 

Barbara Michalak, Heino Sommer, David Mannes et al.

 
 

Gas generation as a result of electrolyte decomposition is one of the major issues of high-performance rechargeable batteries. Here, we report the direct observation of gassing …

 
 
 
 
 
 

Term rules for simple metal clusters

 
 

Daisuke Yoshida, Hannes Raebiger

 
 

Hund’s term rules are only valid for isolated atoms, but have no generalization for molecules or clusters of several atoms. We present a benchmark calculation of Al2 and Al3, for …

 
 
 
 
 
 

Enhanced Dispersion of TiO2 Nanoparticles in a TiO2/PEDOT:PSS Hybrid Nanocomposite via Plasma-Liquid Interactions

 
 

Yazi Liu, Dan Sun, Sadegh Askari et al.

 
 

A facile method to synthesize a TiO2/PEDOT:PSS hybrid nanocomposite material in aqueous solution through direct current (DC) plasma processing at atmospheric pressure and room …

 
 
 
 
 
 

Graphene-supported Pd catalyst for highly selective hydrogenation of resorcinol to 1, 3-cyclohexanedione through giant π-conjugate interactions

 
 

Zuojun Wei, Ruofei Pan, Yaxin Hou et al.

 
 

The selective hydrogenation of resorcinol (RES) to 1, 3-cyclohexanedione (1,3-CHD) without the addition of alkali is a big challenge. In this article, a novel reduced graphene …

 
 
 
 
 
 

Multiple Simulated Annealing-Molecular Dynamics (MSA-MD) for Conformational Space Search of Peptide and Miniprotein

 
 

Ge-Fei Hao, Wei-Fang Xu, Sheng-Gang Yang et al.

 
 

Protein and peptide structure predictions are of paramount importance for understanding their functions, as well as the interactions with other molecules. However, the use of …

 
 
 
 
 
 

Right handed chiral superstructures from achiral molecules: self-assembly with a twist

 
 

Anuradha, Duong Duc La, Mohammad Al Kobaisi et al.

 
 

The induction and development of chiral supramolecular structures from hierarchical self-assembly of achiral compounds is closely related to the evolution of life and the chiral …

 
 
 
 
 
 

Visual Identification of Light-Driven Breakage of the Silver-Dithiocarbamate Bond by Single Plasmonic Nanoprobes

 
 

Peng Fei Gao, Bin Fang Yuan, Ming Xuan Gao et al.

 
 

Insight into the nature of metal-sulfur bond, a meaningful one in life science, interface chemistry and organometallic chemistry, is interesting but challenging. By utilizing the …

 
 
 
 
 
 

Unconventional interplay between heterovalent dopant elements: Switch-and-modulator band-gap engineering in (Y, Co)-Codoped CeO2 nanocrystals

 
 

T. S. Wu, H. D. Li, Y. W. Chen et al.

 
 

We report the experimental observation and theoretical explanation of an unconventional interplay between divalent Co and trivalent Y dopants, both of which incur oxygen …

 
 
 
 
 
 

Kinetic surface roughening and wafer bow control in heteroepitaxial growth of 3C-SiC on Si(111) substrates

 
 

Li Wang, Glenn Walker, Jessica Chai et al.

 
 

A thin, chemically inert 3C-SiC layer between GaN and Si helps not only to avoid the “melt-back” effect, but also to inhibit the crack generation in the grown GaN layers. The …

 
 
 
 
 
 

A Novel Physical Approach for Cationic–Thiolate Protected Fluorescent Gold Nanoparticles

 
 

Yohei Ishida, Chaiyathat Lee, Tetsu Yonezawa

 
 

Knowledge on the synthesis of cationically charged fluorescent gold nanoparticles (Au NPs) is limited because the electrostatic repulsion between cationic ligands on the surface …

 
 
 
 
 
 

Morphology-controlled construction of hierarchical hollow hybrid SnO2@TiO2 nanocapsules with outstanding lithium storage

 
 

Linzong Zhou, Hong Guo, Tingting Li et al.

 
 

A novel synthesis containing microwave-assisted HCl etching reaction and precipitating reaction is employed to prepare hierarchical hollow SnO2@TiO2 nanocapsules for anode …

 
 
 
 
 
 

Flexible and High Performance Supercapacitors Based on NiCo2O4for Wide Temperature Range Applications

 
 

Ram K. Gupta, John Candler, Soubantika Palchoudhury et al.

 
 

Binder free nanostructured NiCo2O4 were grown using a facile hydrothermal technique. X-ray diffraction patterns confirmed the phase purity of NiCo2O4. The surface morphology and …

 
 
 
 
 
 
   
 
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