Tuesday, July 14, 2015

Scientific Reports Chemistry Table of Contents e-alert: 14 July 2015

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  14 July 2015   
 
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Welcome to your Table of Contents e-alert for Scientific Reports

 
 
   
 
 
 
Chemical Sciences
 
 
 
 
 
 
 

Optimization of Parameter Selection for Partial Least Squares Model Development

 
 

Na Zhao, Zhi-sheng Wu, Qiao Zhang et al.

 
 

In multivariate calibration using a spectral dataset, it is difficult to optimize nonsystematic parameters in a quantitative model, i.e., spectral pretreatment, latent factors …

 
 
 
 
 
 

Atmospheric benzenoid emissions from plants rival those from fossil fuels

 
 

P.K. Misztal, C.N. Hewitt, J. Wildt et al.

 
 

Despite the known biochemical production of a range of aromatic compounds by plants and the presence of benzenoids in floral scents, the emissions of only a few benzenoid …

 
 
 
 
 
 

Understanding the Control of Singlet-Triplet Splitting for Organic Exciton Manipulating: A Combined Theoretical and Experimental Approach

 
 

Ting Chen, Lei Zheng, Jie Yuan et al.

 
 

Developing organic optoelectronic materials with desired photophysical properties has always been at the forefront of organic electronics. The variation of singlet-triplet …

 
 
 
 
 
 

Hydroprocessing of Jatropha Oil for Production of Green Diesel over Non-sulfided Ni-PTA/Al2O3 Catalyst

 
 

Jing Liu, Jiandu Lei, Jing He et al.

 
 

The non-sulfided Ni-PTA/Al2O3 catalyst was developed to produce green diesel from the hydroprocessing of Jatropha oil. The Ni-PTA/Al2O3 catalyst was prepared by one-pot synthesis …

 
 
 
 
 
 

Unexpected in-situ Free Radical Generation and Catalysis to Ag/Polymer Nanocomposite

 
 

Yifan Pang, Ruixue Wei, Jintao Wang et al.

 
 

In this study, we discover unexpectedly that simple reaction of AgNO3 with oleic acid (OA) without solvent and surfactant could generate alkyl free radical which can catalyze …

 
 
 
 
 
 

A High Throughput Ambient Mass Spectrometric Approach to Species Identification and Classification from Chemical Fingerprint Signatures

 
 

Rabi A. Musah, Edgard O. Espinoza, Robert B. Cody et al.

 
 

A high throughput method for species identification and classification through chemometric processing of direct analysis in real time (DART) mass spectrometry-derived fingerprint …

 
 
 
 
 
 

Greatly Enhancing Catalytic Activity of Graphene by Doping the Underlying Metal Substrate

 
 

Na Guo, Yongjie Xi, Shuanglong Liu et al.

 
 

Graphene-based solid-state catalysis represents a new direction in applications of graphene and has attracted a lot of interests recently. However, the difficulty in fine control …

 
 
 
 
 
 

Direct observation of catalytic oxidation of particulate matter using in situ TEM

 
 

Kohei Kamatani, Kimitaka Higuchi, Yuta Yamamoto et al.

 
 

The ability to observe chemical reactions at the molecular level convincingly demonstrates the physical and chemical phenomena occurring throughout a reaction mechanism. Videos …

 
 
 
 
 
 

Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling

 
 

Chen Wang, Jie Ren, Jianshu Cao

 
 

Unraveling the microscopic mechanism of quantum energy transfer across two-level systems provides crucial insights to the optimal design and potential applications of …

 
 
 
 
 
 

High quality thin films of thermoelectric misfit cobalt oxides prepared by a chemical solution method

 
 

Beatriz Rivas-Murias, José Manuel Vila-Fungueiriño, Francisco Rivadulla

 
 

Misfit cobaltates ([Bi/Ba/Sr/Ca/CoO]nRS[CoO2]q) constitute the most promising family of thermoelectric oxides for high temperature energy harvesting. However, their complex …

 
 
 
 
 
 

Metabolomics Approach Reveals Integrated Metabolic Network Associated with Serotonin Deficiency

 
 

Rui Weng, Sensen Shen, Yonglu Tian et al.

 
 

Serotonin is an important neurotransmitter that broadly participates in various biological processes. While serotonin deficiency has been associated with multiple pathological …

 
 
 
 
 
 

In situ microscopic observation of chitin and fungal cells with chitinous cell walls in hydrothermal conditions

 
 

Shigeru Deguchi, Kaoru Tsujii, Koki Horikoshi

 
 

Recent findings of intact chitin in fossil records suggest surprisingly high recalcitrance of this biopolymer during hydrothermal treatments. We also know in the experience of …

 
 
 
 
 
 

Global optimization and oxygen dissociation on polyicosahedral Ag32Cu6 core-shell cluster for alkaline fuel cells

 
 

N. Zhang, F. Y. Chen, X.Q. Wu

 
 

The structure of 38 atoms Ag-Cu cluster is studied by using a combination of a genetic algorithm global optimization technique and density functional theory (DFT) calculations. …

 
 
 
 
 
 

Graphene wrapped ordered LiNi0.5Mn1.5O4 nanorods as promising cathode material for lithium-ion batteries

 
 

Xiao Tang, S. Savut Jan, Yanyan Qian et al.

 
 

LiNi0.5Mn1.5O4 nanorods wrapped with graphene nanosheets have been prepared and investigated as high energy and high power cathode material for lithium-ion batteries. The …

 
 
 
 
 
 

Wide Carbon Nanopores as Efficient Sites for the Separation of SF6 from N2

 
 

Atsushi Takase, Hirofumi Kanoh, Tomonori Ohba

 
 

SF6 and SF6-N2 mixed gases are used widely as insulators, but such gases have high greenhouse gas potential. The separation of SF6 from SF6-N2 mixed gases is an inevitable result …

 
 
 
 
 
 

Interconnecting Carbon Fibers with the In-situ Electrochemically Exfoliated Graphene as Advanced Binder-free Electrode Materials for Flexible Supercapacitor

 
 

Yuqin Zou, Shuangyin Wang

 
 

Flexible energy storage devices are highly demanded for various applications. Carbon cloth (CC) woven by carbon fibers (CFs) is typically used as electrode or current collector …

 
 
 
 
 
 
   
 
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Annual meeting of the Swedish Chemical Society Theoretical Chemistry Section 2015 Baltic Lights

 
 

25th August 2015 Kalmar, Sweden

 
 
 
 

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