bluuebunny/crossref_metadata_2025 huggingface dataset:
Identification of a rhodopsin gene mutation in a large family with autosomal dominant retinitis pigmentosa
Authors: Yu Xinping , Shi Wei , Cheng Lulu , Wang Yanfang , Chen Ding , Hu Xuting , Xu Jinling , Xu Limin , Wu Yaming , Qu Jia , Gu Feng
Published: January 2016

Retinitis pigmentosa (RP) is a genetically highly heterogeneous retinal disease and one of the leading causes of blindness in the world. Next-generation sequencing technology has enormous potential for determining the genetic etiology of RP. We sought to identify the underlying genetic defect in a 35-year-old male from an autosomal-dominant RP family with 14 affected individuals. By capturing next-generation sequencing (CNGS) of 144 genes associated with retinal diseases, we identified eight novel DNA variants; however, none of them cosegregated for all the members of the family. Further analysis of the CNGS data led to identification of a recurrent missense mutation (c.403C > T, p.R135W) in the rhodopsin (RHO) gene, which cosegregated with all affected individuals in the family and was not observed in any of the unaffected family members. The p.R135W mutation has a reference single nucleotide polymorphism (SNP) ID (rs104893775) and it appears to be responsible for the disease in this large family. This study highlights the importance of examining NGS data with reference SNP IDs. Thus, our study is important for data analysis of NGS-based clinical genetic diagnoses.
Effect of simulated tillage on microbial autotrophic CO2 fixation in paddy and upland soils
Authors: Ge Tida , Wu Xiaohong , Liu Qiong , Zhu Zhenke , Yuan Hongzhao , Wang Wei , Whiteley A. S. , Wu Jinshui
Published: January 2016

Tillage is a common agricultural practice affecting soil structure and biogeochemistry. To evaluate how tillage affects soil microbial CO2 fixation, we incubated and continuously labelled samples from two paddy soils and two upland soils subjected to simulated conventional tillage (CT) and no-tillage (NT) treatments. Results showed that CO2 fixation (14C-SOC) in CT soils was significantly higher than in NT soils. We also observed a significant, soil type- and depth-dependent effect of tillage on the incorporation rates of labelled C to the labile carbon pool. Concentrations of labelled C in the carbon pool significantly decreased with soil depth, irrespective of tillage. Additionally, quantitative PCR assays revealed that for most soils, total bacteria and cbbL-carrying bacteria were less abundant in CT versus NT treatments and tended to decrease in abundance with increasing depth. However, specific CO2 fixation activity was significantly higher in CT than in NT soils, suggesting that the abundance of cbbL-containing bacteria may not always reflect their functional activity. This study highlights the positive effect of tillage on soil microbial CO2 fixation and the results can be readily applied to the development of sustainable agricultural management.
From phenotype to genotype in complex brain networks
Authors: Zanin Massimiliano , Correia Marco , Sousa Pedro A. C. , Cruz Jorge
Published: January 2016

Generative models are a popular instrument for illuminating the relationships between the hidden variables driving the growth of a complex network and its final topological characteristics, a process known as the “genotype to phenotype problem”. However, the definition of a complete methodology encompassing all stages of the analysis and in particular the validation of the final model, is still an open problem. We here discuss a framework that allows to quantitatively optimise and validate each step of the model creation process. It is based on the execution of a classification task and on estimating the additional precision provided by the modelled genotype. This encompasses the three main steps of the model creation, namely the selection of topological features, the optimisation of the parameters of the generative model and the validation of the obtained results. We provide a minimum requirement for a generative model to be useful, prescribing the function mapping genotype to phenotype to be non-monotonic; and we further show how a previously published model does not fulfil such condition, casting doubts on its fitness for the study of neurological disorders. The generality of such framework guarantees its applicability beyond neuroscience, like the emergence of social or technological networks.
Study of Arsenic Sulfide in Solid Tumor Cells Reveals Regulation of Nuclear Factors of Activated T-cells by PML and p53
Authors: Ding Wenping , Tong Yingying , Zhang Xiuli , Pan Minggui , Chen Siyu
Published: January 2016

Arsenic sulfide (AS) has excellent cytotoxic activity in acute promyelocytic leukemia (APL) but its activity in solid tumors remains to be explored. Here we show that AS and cyclosporine A (CsA) exerted synergistic inhibitory effect on cell growth and c-Myc expression in HCT116 cells. AS inhibited the expression of PML, c-Myc, NFATc1, NFATc3 and NFATc4, while stimulating the expression of p53 and NFATc2. Knockdown of PML reduced NFATc1, NFATc2, NFATc3 and NFATc4 expression while overexpression of p53 stimulated NFATc2-luciferase activity that was further augmented by AS by binding to a set of p53 responsive elements (PREs) on the NFATc2 promoter. Additionally, overexpression of p53 suppressed NFATc3 and NFATc4. Reciprocally, NFATc3 knockdown enhanced p53 while reducing MDM2 expression indicating that NFATc3 is a negative regulator of p53 while a positive regulator of MDM2, consistent with its tumor-promoting property as knockdown of NFATc3 retarded cell growth in vitro and tumor growth in xenograft. In patients with colon cancer, tumor expression of NFATc2 correlated with superior survival, while nuclear NFATc1 with inferior survival. These results indicate that AS differentially regulates NFAT pathway through PML and p53 and reveal an intricate reciprocal regulatory relationship between NFAT proteins and p53 pathway.
Membrane omega-3 fatty acids modulate the oligomerisation kinetics of adenosine A2A and dopamine D2 receptors
Authors: Guixà-González Ramon , Javanainen Matti , Gómez-Soler Maricel , Cordobilla Begoña , Domingo Joan Carles , Sanz Ferran , Pastor Manuel , Ciruela Francisco , Martinez-Seara Hector , Selent Jana
Published: January 2016

Membrane levels of docosahexaenoic acid (DHA), an essential omega-3 polyunsaturated fatty acid (ω-3 PUFA), are decreased in common neuropsychiatric disorders. DHA modulates key cell membrane properties like fluidity, thereby affecting the behaviour of transmembrane proteins like G protein-coupled receptors (GPCRs). These receptors, which have special relevance for major neuropsychiatric disorders have recently been shown to form dimers or higher order oligomers and evidence suggests that DHA levels affect GPCR function by modulating oligomerisation. In this study, we assessed the effect of membrane DHA content on the formation of a class of protein complexes with particular relevance for brain disease: adenosine A2A and dopamine D2 receptor oligomers. Using extensive multiscale computer modelling, we find a marked propensity of DHA for interaction with both A2A and D2 receptors, which leads to an increased rate of receptor oligomerisation. Bioluminescence resonance energy transfer (BRET) experiments performed on living cells suggest that this DHA effect on the oligomerisation of A2A and D2 receptors is purely kinetic. This work reveals for the first time that membrane ω-3 PUFAs play a key role in GPCR oligomerisation kinetics, which may have important implications for neuropsychiatric conditions like schizophrenia or Parkinson’s disease.
In silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity
Authors: Pires Douglas E. V. , Chen Jing , Blundell Tom L. , Ascher David B.
Published: January 2016

Despite interest in associating polymorphisms with clinical or experimental phenotypes, functional interpretation of mutation data has lagged behind generation of data from modern high-throughput techniques and the accurate prediction of the molecular impact of a mutation remains a non-trivial task. We present here an integrated knowledge-driven computational workflow designed to evaluate the effects of experimental and disease missense mutations on protein structure and interactions. We exemplify its application with analyses of saturation mutagenesis of DBR1 and Gal4 and show that the experimental phenotypes for over 80% of the mutations correlate well with predicted effects of mutations on protein stability and RNA binding affinity. We also show that analysis of mutations in VHL using our workflow provides valuable insights into the effects of mutations and their links to the risk of developing renal carcinoma. Taken together the analyses of the three examples demonstrate that structural bioinformatics tools, when applied in a systematic, integrated way, can rapidly analyse a given system to provide a powerful approach for predicting structural and functional effects of thousands of mutations in order to reveal molecular mechanisms leading to a phenotype. Missense or non-synonymous mutations are nucleotide substitutions that alter the amino acid sequence of a protein. Their effects can range from modifying transcription, translation, processing and splicing, localization, changing stability of the protein, altering its dynamics or interactions with other proteins, nucleic acids and ligands, including small molecules and metal ions. The advent of high-throughput techniques including sequencing and saturation mutagenesis has provided large amounts of phenotypic data linked to mutations. However, one of the hurdles has been understanding and quantifying the effects of a particular mutation and how they translate into a given phenotype. One approach to overcome this is to use robust, accurate and scalable computational methods to understand and correlate structural effects of mutations with disease.
Comprehensive analyses of how tubule occlusion and advanced glycation end-products diminish strength of aged dentin
Authors: Shinno Yuko , Ishimoto Takuya , Saito Mitsuru , Uemura Reo , Arino Masumi , Marumo Keishi , Nakano Takayoshi , Hayashi Mikako
Published: January 2016

In clinical dentistry, since fracture is a major cause of tooth loss, better understanding of mechanical properties of teeth structures is important. Dentin, the major hard tissue of teeth, has similar composition to bone. In this study, we investigated the mechanical properties of human dentin not only in terms of mineral density but also using structural and quality parameters as recently accepted in evaluating bone strength. Aged crown and root dentin (age ≥ 40) exhibited significantly lower flexural strength and toughness than young dentin (age < 40). Aged dentin, in which the dentinal tubules were occluded with calcified material, recorded the highest mineral density; but showed significantly lower flexural strength than young dentin. Dentin with strong alignment of the c-axis in hydroxyapatite exhibited high fracture strength, possibly because the aligned apatite along the collagen fibrils may reinforce the intertubular dentin. Aged dentin, showing a high advanced glycation end-products (AGEs) level in its collagen, recorded low flexural strength. We first comprehensively identified significant factors, which affected the inferior mechanical properties of aged dentin. The low mechanical strength of aged dentin is caused by the high mineral density resulting from occlusion of dentinal tubules and accumulation of AGEs in dentin collagen.
Improving sodium laser guide star brightness by polarization switching
Authors: Fan Tingwei , Zhou Tianhua , Feng Yan
Published: January 2016

Optical pumping with circularly polarized light has been used to enhance the brightness of sodium laser guide star. But the benefit is reduced substantially due to the precession of sodium atoms in geomagnetic field. Switching the laser between left and right circular polarization at the Larmor frequency is proposed to improve the return. With ESO’s laser guide star system at Paranal as example, numerical simulation shows that the return flux is increased when the angle between geomagnetic field and laser beam is larger than 60°, as much as 50% at 90°. The proposal is significant since most astronomical observation is at angle between 60° and 90° and it only requires a minor addition to the delivery optics of present laser system.
Liver sinusoidal endothelial cells induce tolerance of autoreactive CD4+ recent thymic emigrants
Authors: Xu Xi , Jin Rong , Li Mingyang , Wang Ke , Zhang Shusong , Hao Jie , Sun Xiuyuan , Zhang Yu , Wu Hounan , Zhang Jun , Ge Qing
Published: January 2016

The liver is a unique lymphoid organ whose microenvironment is biased towards tolerance induction. We previously found that a proportion of CD4+ autoreactive recent thymic emigrants (RTEs) retained in the liver after thymic egress and acquired IL-10 producing capability. To investigate the tolerance of these liver persisting CD4+ RTEs in more detail and to study the liver stromal cell types that facilitate the tolerogenic changes in young T cells, the phenotype and function of liver RTEs were further characterized and the impact of liver sinusoidal endothelial cells (LSECs) and Kupffer cells on RTEs were examined using an in vitro co-culture system. More than 70% of CD4+ CD44hi RTEs in the liver acquired Foxp3-LAG3+ CD49b− regulatory phenotype and function. But higher ratio of apoptosis with enhanced FasL and Bim expression was also found in these CD4+ liver RTEs when compared to those in the lymph nodes and spleen. LSECs played an important role in RTEs’ acquisition of tolerogenic and regulatory phenotype. These results indicate an important role of liver microenvironment in enforcing peripheral tolerance to CD4+ thymic emigrants against self- and gut-derived antigens.
IL-10-produced by human transitional B-cells down-regulates CD86 expression on B-cells leading to inhibition of CD4+T-cell responses
Authors: Nova-Lamperti Estefania , Fanelli Giorgia , Becker Pablo D. , Chana Prabhjoat , Elgueta Raul , Dodd Philippa C. , Lord Graham M. , Lombardi Giovanna , Hernandez-Fuentes Maria P.
Published: January 2016

A novel subset of human regulatory B-cells has recently been described. They arise from within the transitional B-cell subpopulation and are characterised by the production of IL-10. They appear to be of significant importance in regulating T-cell immunity in vivo. Despite this important function, the molecular mechanisms by which they control T-cell activation are incompletely defined. Here we show that transitional B-cells produced more IL-10 and expressed higher levels of IL-10 receptor after CD40 engagement compared to other B-cell subsets. Furthermore, under this stimulatory condition, CD86 expressed by transitional B-cells was down regulated and T-cell proliferation was reduced. We provide evidence to demonstrate that the down-regulation of CD86 expression by transitional B-cells was due to the autocrine effect of IL-10, which in turn leads to decreased T-cell proliferation and TNF-α production. This analysis was further extended to peripheral B-cells in kidney transplant recipients. We observed that B-cells from patients tolerant to the graft maintained higher IL-10 production after CD40 ligation, which correlates with lower CD86 expression compared to patients with chronic rejection. Hence, the results obtained in this study shed light on a new alternative mechanism by which transitional B-cells inhibit T-cell proliferation and cytokine production.
Low molecular weight organic acid salts, markers of old fungi activity in wall paintings
Authors: Salvadó Nati , Butí Salvador , Pradell Trinitat , Beltran Victòria , Cinque Gianfelice , Juanhuix Jordi , Font Lídia , Senserrich Rosa
Published: January 2016

Micro-Infrared Spectroscopy (μSR-FTIR) and X-ray diffraction (μSR-XRD) with synchrotron light, Gas Chromatography/Mass Spectrometry (CG/MS), Optical Microscopy (OM) and Scanning Electron Microscopy (SEM/EDS) were used to obtain the distribution of calcium salts of low molecular weight organic acids (LMWOA) in micro-layered micro-samples.
A novel electrochemical sensor for 17β-estradiol from molecularly imprinted polymeric microspheres and multi-walled carbon nanotubes grafted with gold nanoparticles
Authors: Futra Dedi , Heng Lee Yook , Jaapar Mohamad Zudaidy , Ulianas Alizar , Saeedfar Kasra , Ling Tan Ling
Published: January 2016

Molecularly imprinted (MIP) polymeric microspheres are generally a more stable material for hormone sensing application.
Simultaneous synthesis/assembly of anisotropic cake-shaped porphyrin particles toward colloidal microcrystals
Authors: Wang Ting , Kuang Minxuan , Jin Feng , Cai Jinhua , Shi Lei , Zheng Yongmei , Wang Jingxia , Jiang Lei
Published: January 2016

A one-step strategy for the simultaneous synthesis/assembly of cake-shaped colloidal crystals is developed from droplet templates and interface induction.
Discovering connections between terahertz vibrations and elasticity underpinning the collective dynamics of the HKUST-1 metal–organic framework
Authors: Ryder Matthew R. , Civalleri Bartolomeo , Cinque Gianfelice , Tan Jin-Chong
Published: January 2016

We employed a combination of theoretical and experimental techniques to study the metal–organic framework (MOF)-mechanics central to the paddle-wheel Cu3(BTC)2 porous structure, commonly designated as HKUST-1.
Intense pulsed light induced crystallization of a liquid-crystalline polymer semiconductor for efficient production of flexible thin-film transistors
Authors: Yang Hee Yeon , Park Han-Wool , Kim Soo Jin , Hong Jae-Min , Kim Tae Whan , Kim Do Hwan , Lim Jung Ah
Published: January 2016

The split-second crystallization of a conjugated polymer by irradiation of intense pulsed white light improved the performance of flexible thin-film transistors.
Cyclic π-electron delocalization in non-planar linear acenes
Authors: Dobrowolski Michał A. , Cyrański Michał K. , Wróbel Zbigniew
Published: January 2016

Based on the experimental data of newly determined structures ofper-substituted naphthalenes by halogen atoms (F, Cl and Br) and perchloroanthracene, as well as on the molecular modeling we have shown that deviation from planarity leads to relatively small changes in the cyclic π-electron delocalization of acenes.
Evolution of Jahn–Teller distortion, transport and dielectric properties with doping in perovskite NdFe1−xMnxO3 (0 ≤ x ≤ 1) compounds
Authors: Chakraborty Tirthankar , Yadav Ruchika , Elizabeth Suja , Bhat H. L.
Published: January 2016

We have carried out dielectric and transport measurements in NdFe1−xMnxO3 (0 ≤ x ≤ 1) series of compounds and studied the variation of activation energy due to a change in Mn concentration.
Structures of seven molybdenum surfaces and their coverage dependent hydrogen adsorption
Authors: Wang Tao , Tian Xinxin , Yang Yong , Li Yong-Wang , Wang Jianguo , Beller Matthias , Jiao Haijun
Published: January 2016

Surface morphology of metallic molybdenum and coverage dependent hydrogen adsorption.
Enhancement of photocatalytic hydrogen formation under visible illumination by integrating plasmonic Au nanoparticles with a strongly catalytic Ni3S2/carbon nanotube composite
Authors: Hung Kuan-Chung , Lai Ying-Huang , Lin Tsung-Wu
Published: January 2016

Photocatalytic production of H2 by water splitting gives a promising solution to growing demands for clean and sustainable energy.
Promotional effect of HZSM-5 on the catalytic oxidation of toluene over MnOx/HZSM-5 catalysts
Authors: Huang He , Zhang Chuanhui , Wang Lei , Li Genqin , Song Liang , Li Guangci , Tang Sifu , Li Xuebing
Published: January 2016

The cooperative action between the redox ability of MnOx layer and the acidity properties of the HZSM-5 zeolite over MnOx/HZSM-5 catalysts significantly promotes the catalytic oxidation of toluene.
Gas-phase cascade upgrading of furfural to 2-methylfuran using methanol as a H-transfer reactant and MgO based catalysts
Authors: Grazia L. , Lolli A. , Folco F. , Zhang Y. , Albonetti S. , Cavani F.
Published: January 2016

The one-pot hydrogenolysis of furfural to 2-methylfuran in the gas phase is catalysed by Mg/Fe mixed oxide using methanol as the H-transfer reactant.
Hybrid organic–inorganic zeolites: status and perspectives
Authors: Millini Roberto , Bellussi Giuseppe
Published: January 2016

This Perspective article focuses on the recent progress and research directions in the preparation of hybrid organic–inorganic zeolites for applications in heterogeneous catalysis.
Formation of Si nanowires by the electrochemical reduction of SiO2 with Ni or NiO additives
Authors: Fang Sheng , Wang Han , Yang Juanyu , Yu Bing , Lu Shigang
Published: January 2016

Various morphologies of silicon nanowires (SiNWs) were successfully prepared by the electrochemical reduction of silica mixed with different additives (Au, Ag, Fe, Co, Ni, and NiO, respectively). Straight SiNWs were extensively obtained by the electro-reduction of porous Ni/SiO2 blocks in molten CaCl2 at 900 °C. The SiNWs had a wide diameter distribution of 80 to 350 nm, and the Ni–Si droplets were found on the tips of the nanowires. The growth mechanism of SiNWs was investigated, which could reveal that the nano-sized Ni–Si droplets formed at the Ni/SiO2/CaCl2 three-phase interlines. Based on the mechanism proposed, NiO particles with sub-micrometer size were selected as the additive, and straight SiNWs with diameters of 60 to 150 nm were also prepared via the electrochemical process.
De novo design of helical peptides to inhibit tumor necrosis factor-α by disrupting its trimer formation
Authors: Shen Qi , Zhang Changsheng , Liu Hongbo , Liu Yuting , Cao Junyue , Zhang Xiaolin , Liang Yuan , Zhao Meiping , Lai Luhua
Published: January 2016

Helical peptide TNFα inhibitors were designed by targeting their dimer structure.
Comparative studies on MWCNTs, Fe2O3 and Fe2O3/MWCNTs thin films towards supercapacitor application
Authors: Raut Shrikant S. , Sankapal Babasaheb R.
Published: January 2016

Fe2O3/MWCNTs hybrid thin film exhibits superior electrochemical supercapacitor behaviour in terms of specific capacitance, energy density and power density than the individual Fe2O3 and MWCNTs thin films.
Thiolactone chemistry and copper-mediated CRP for the development of well-defined amphiphilic dispersing agents
Authors: Driessen Frank , Herckens Roald , Espeel Pieter , Du Prez Filip E.
Published: January 2016

A straightforward synthetic pathway was developed for the synthesis of amphiphilic graft and toothbrush copolymers by combining copper-mediated controlled radical polymerization with the thiolactone-based amine–thiol–ene conjugation in a “grafting-onto approach”.
A solid-state electrochemiluminescent sensor based on C60/graphite-like carbon nitride nanosheet hybrids for detecting melamine
Authors: Fu Xiaomin , Gu Zhengcong , Lu Qiyi , Liao Jiayao , Chen Shihong
Published: January 2016

Schematic illustration of preparing C60/g-C3N4 NS and the fabricating procedures of the proposed ECL sensor.
Preparation and catalytic performance of a novel highly dispersed bifunctional catalyst Pt@Fe-MCM-41
Authors: Wu Naijin , Li Baoshan , Liu Jianjun , Zuo Shengli , Zhao Yunchen
Published: January 2016

A novel bifunctional catalyst Pt@Fe-MCM-41 containing highly dispersed metal and acid active sites was successfully synthesized and had excellent catalytic performance.
An investigation of the role increasing π-conjugation has on the efficiency of dye-sensitized solar cells fabricated from ferrocene-based dyes
Authors: Cariello Michele , Ahn Sungwoo , Park Kwang-Won , Chang Suk-Kyu , Hong Jongin , Cooke Graeme
Published: January 2016

A series of ferrocene-based dyes have been prepared and dye-sensitized solar cells have been fabricated.
Lipase-catalyzed synthesis of oxidation-responsive poly(ethylene glycol)-b-poly(β-thioether ester) amphiphilic block copolymers
Authors: Wu Wan-Xia , Yang Xian-Ling , Liu Bei-Yu , Deng Qing-Feng , Xun Miao-Miao , Wang Na , Yu Xiao-Qi
Published: January 2016

Lipase-catalyzed one-step synthesis of novel oxidation-responsive poly(ethylene glycol)-b-poly(β-thioether ester) diblock copolymers was reported.
Characteristics and in vitro response of thin hydroxyapatite–titania films produced by plasma electrolytic oxidation of Ti alloys in electrolytes with particle additions
Authors: Yeung W. K. , Sukhorukova I. V. , Shtansky D. V. , Levashov E. A. , Zhitnyak I. Y. , Gloushankova N. A. , Kiryukhantsev-Korneev P. V. , Petrzhik M. I. , Matthews A. , Yerokhin A.
Published: January 2016

Enhanced incorporation of hydroxyapatite nanoparticles in porous titania coating formed by plasma electrolytic oxidation significantly increases surface osteogenic activity.
Controlling the corrosion rate and behavior of biodegradable magnesium by a surface-immobilized ultrathin 1-hydroxyethylidene-1,1-diphosphonic acid (HEDP) film
Authors: Chen Meiyun , Chen Yingqi , Zhang Wentai , Zhao Sheng , Wang Juan , Mao Jinlong , Li Wei , Zhao Yuancong , Huang Nan , Wan Guojiang
Published: January 2016

An ultra-thin organometallic-like layer was formed on pure magnesium to control the rate and manner of corrosion.
Effect of glycerine addition on the synthesis of boron carbide from condensed boric acid–polyvinyl alcohol precursor
Authors: Chen X. W. , Dong S. M. , Kan Y. M. , Zhou H. J. , Hu J. B. , Ding Y. S.
Published: January 2016

Boron carbide (B4C) powder was synthesized by heating a gel precursor with pyrolysis and carbothermal processes.
Cobalt salophen functionalized SBA-15 as an active catalyst for photocatalytic water oxidation
Authors: Qu Lingling , Cai Jia , Chen Qiuyun
Published: January 2016

A new cobalt salophen functionalized SBA-15 is the cost-effective photocatalyst for water oxidation under mild conditions.
Identification of a new curcumin synthase from ginger and construction of a curcuminoid-producing unnatural fusion protein diketide-CoA synthase::curcumin synthase
Authors: Zhang Le , Gao Bowen , Wang Xiaohui , Zhang Zhongxiu , Liu Xiao , Wang Juan , Mo Ting , Liu Yuyu , Shi Shepo , Tu Pengfei
Published: January 2016

The new curcumin synthase and the unnatural fusion protein reported here are useful for metabolic engineering of pharmaceutically important curcuminoids.
A Ti-decorated boron monolayer: a promising material for hydrogen storage
Authors: Zhang FuChun , Chen Rui , Zhang Weihu , Zhang WeiBin
Published: January 2016

A promising Ti-decorated boron monolayer (BM) system for hydrogen storage is proposed through the use of density functional theory. Our results suggest that the Ti-BM will be a promising material system for hydrogen storage.
A dithienodisilacyclohexadiene (DTDS)-based conjugated model semiconductor: understanding unique features and monitoring structural transition
Authors: Cheng Tao , Chen Shanshan , Lee Kyu Cheol , Lee Sang Myeon , Yang Changduk
Published: January 2016

In this study, an intra-structural transitioning from Si–Si to Si–O–Si units in DTDS(FBTTh2)2 is not only confirmed by real-time 1H NMR experiments, but the conversion mechanism is also formulated.
Solid-state reactions and hydrogen storage in magnesium mixed with various elements by high-pressure torsion: experiments and first-principles calculations
Authors: Emami Hoda , Edalati Kaveh , Staykov Aleksandar , Hongo Toshifumi , Iwaoka Hideaki , Horita Zenji , Akiba Etsuo
Published: January 2016

The HPT technique is effective in synthesizing Mg-based hydrogen storage materials and improving the air resistivity and hydrogenation properties.
Electrospun carbon nano-felt derived from alkali lignin for cost-effective counter electrodes of dye-sensitized solar cells
Authors: Ma Xiaojing , Elbohy Hytham , Sigdel Sudhan , Lai Chuilin , Qiao Qiquan , Fong Hao
Published: January 2016

Electrospun lignin-derived carbon nano-felts (with or without surface-decoration of Pt nanoparticles) have been studied as cost-effective counter electrodes of DSSCs.
Structural characterization of individual graphene sheets formed by arc discharge and their growth mechanisms
Authors: Li Bo , Nan Yanli , Zhang Peng , Song Xiaolong
Published: January 2016

Two types of arc graphene sheets with different morphology and crystal structures are found, and further probed by Raman spectroscopy. Moreover, a new growth mechanism responsible for the difference of arc graphene is proposed.
Evaluation of total antioxidant and free radical scavenging activities of Callistemon citrinus (Curtis) Skeels extracts by biochemical and electron paramagnetic resonance analyses
Authors: Sampath Sowndarya , Kalimuthu Balasaraswathi , Veeramani Vidhya , Janardhanam Sridevi , Baran Mandal Asit , Chellan Rose
Published: January 2016

Free radical scavenging activity of Callistemon citrinus (Curtis) Skeels extracts analysed using biochemical and Electron Paramagnetic Resonance (EPR) studies.
Selective separation of CO2–CH4 mixed gases via magnesium aminoethylphosphonate nanoparticles
Authors: Simonato Sara , Möllmer Jens , Lange Marcus , Gläser Roger , Staudt Reiner , Feldmann Claus
Published: January 2016

Magnesium 2-aminoethylphosphonate (Mg2O(2AEP) × 4H2O) nanoparticles (particle diameter: 20–30 nm; specific surface area: 360 m2 g−1) are presented for selective separation of CO2 and CH4.
Intrinsically disordered proteins in PubMed: what can the tip of the iceberg tell us about what lies below?
Authors: DeForte Shelly , Uversky Vladimir N.
Published: January 2016

Papers that use IDP terminology represent only the tip of the iceberg of the larger body of literature on this subject.
Computational insights into different inhibition modes of the κ-opioid receptor with antagonists LY2456302 and JDTic
Authors: Cheng Jianxin , Li Weihua , Liu Guixia , Zhu Weiliang , Tang Yun
Published: January 2016

Residence time calculations were carried out based on binding free energy scanning of the metadynamics simulations on LY2456302–κ-OR and JDTic–κ-OR systems.
Design and fabrication of a microfluidic SERS chip with integrated Ag film@nanoAu
Authors: Zhao Hua-Zhou , Xu Yi , Wang Chun-Yan , Wang Rong , Xiang Song-Tao , Chen Li
Published: January 2016

A “sandwich” microfluidic surface enhanced Raman scattering (SERS) chip with Ag film@nanoAu prepared in a microchannel was proposed and fabricated in situ. The detection limit for Rhodamine 6G was 10−8 M and the enhancement factor was 3.8 × 105.
Wheel-shaped copper containing polyoxotungstate as an efficient catalyst in the three-component synthesis of 1,2,3-triazoles
Authors: Jalilian Fariba , Yadollahi Bahram , Tangestaninejad Shahram , Rudbari Hadi Amiri
Published: January 2016

The catalytic effect of wheel-shaped polyoxotungstate [Cu20Cl(OH)24(H2O)12(P8W48O184)]25− was investigated in the preparation of triazoles from the corresponding alkyl halides, sodium azide, and alkynes.
Nanostructured WSe2/C composites as anode materials for sodium-ion batteries
Authors: Zhang Zhian , Yang Xing , Fu Yun
Published: January 2016

75.57% crystal WSe2 nanoparticles are uniformly dispersed on a carbon matrix to form WSe2/C nanomaterials using a solid-state reaction. The WSe2/C nanomaterials in sodium-ion batteries exhibit high discharge capacity and excellent cycling stability.
Crosslinkable polyesters based on monomers derived from renewable lignin
Authors: Zhang Jie , Pang Chengcai , Wu Guolin
Published: January 2016

Crosslinked polyesters based on renewable resources have been successfully prepared, they have better tensile property and biodegradability.
An efficient synthesis of 2-thio-5-amino substituted benzoquinones via KI catalyzed cascade oxidation/Michael addition/oxidation starting from hydroquinone
Authors: Lu Yihuan , Zhao Yuqiong , Wang Shucheng , Wang Xin , Ge Zemei , Li Runtao
Published: January 2016

An efficient one-pot approach to 2-thio-5-amino substituted benzoquinones has been developed. The use of S-alkylisothiouronium salts as thiol equivalents is more convenient and environmental friendly.
Photocatalysis from a series of polyoxoazocobaltate high-nuclearity nanoclusters
Authors: Mu Bao , Wang Qing , Huang Ru-Dan
Published: January 2016

By changing the substituent groups of mercapto-based ligands, polyoxoazocobaltate high-nuclearity nanoclusters have been synthesized and structurally characterized, and they display photocatalytic activities for degradation of organic dyes.
Design and fabrication of carbonized rGO/CMOF-5 hybrids for supercapacitor applications
Authors: Wen Ping , Li Zhangpeng , Gong Peiwei , Sun Jinfeng , Wang Jinqing , Yang Shengrong
Published: January 2016

A reduced graphene oxide/carbonized metal–organic framework (rGO/CMOF-5) hybrid with an rGO inner layer and an outer cover of CMOF-5 was successfully fabricated by combining a simple solvothermal reaction with an annealing treatment.
Identification of “sarsasapogenin-aglyconed” timosaponins as novel Aβ-lowering modulators of amyloid precursor protein processing
Authors: Sy Lai-King , Lok Chun-Nam , Wang Juan-Yu , Liu Yungen , Cheng Lu , Wan Pui-Ki , Leung Chi-Ting , Cao Bei , Kwong Wai-Lun , Chang Raymond Chuen-Chung , Che Chi-Ming
Published: January 2016

The “sarsasapogenin-aglyconed” timosaponins are Aβ lowering agents that may be useful for the development of Alzheimer’s disease therapeutics.
Phenyl-rich silicone oil as a precursor for SiOC anode materials for long-cycle and high-rate lithium ion batteries
Authors: Halim Martin , Hudaya Chairul , Kim A-Young , Lee Joong Kee
Published: January 2016

Silicon oxycarbide (SiOC) is gaining increasing attention as a promising anode material for lithium ion batteries due to its higher reversible capacity compared to incumbent graphite.
Triplet excited state of diiodoBOPHY derivatives: preparation, study of photophysical properties and application in triplet–triplet annihilation upconversion
Authors: Zhang Caishun , Zhao Jianzhang
Published: January 2016

A pyrrole-BF2-based chromophore (BOPHY) was used for the preparation of triplet photosensitizers and the photophysical properties were studied using transient absorption spectroscopy.
Correction: An ambipolar organic field-effect transistor based on an AIE-active single crystal with a high mobility level of 2.0 cm2 V−1 s−1
Authors: Deng Jian , Xu Yuanxiang , Liu Liqun , Feng Cunfang , Tang Jia , Gao Yu , Wang Yan , Yang Bing , Lu Ping , Yang Wensheng , Ma Yuguang
Published: January 2016

Correction for ‘An ambipolar organic field-effect transistor based on an AIE-active single crystal with a high mobility level of 2.0 cm2 V−1 s−1’ by Jian Deng et al., Chem. Commun., 2016, DOI: 10.1039/c5cc09702a.
Hierachical Ni@Fe2O3superparticles through epitaxial growth of γ-Fe2O3nanorods onin situformed Ni nanoplates
Authors: Tahir Muhammad Nawaz , Herzberger Jana , Natalio Filipe , Köhler Oskar , Branscheid Robert , Mugnaioli Enrico , Ksenofontov Vadim , Panthöfer Martin , Kolb Ute , Frey Holger , Tremel Wolfgang
Published: January 2016

Synthesis of colloidal superparticles by beaker epitaxy.
Metallic coordination selectivity effect in the trinuclear M3(RCOO)6 secondary building units of three layer metal–carboxylate frameworks
Authors: Wang Xiao-Feng , Wang Hongqing , Wang Shuhong , Li Jun , Li Shenbiao , Zheng Kang-Cheng , Han Xin
Published: January 2016

Three metal–carboxylate frameworks have been synthesized in microwave-assisted solvo-thermal conditions and characterized. The different centre metal ions adopt different co-ligands from identical reactants to modify the secondary building units.
Oral oestrogen reverses ovariectomy-induced morning surge hypertension in growth-restricted mice
Authors: Haskell Sarah E. , Peotta Veronica , Reinking Benjamin E. , Zhang Catherine , Zhu Vivian , Kenkel Elizabeth J. , Roghair Robert D.
Published: January 2016

Perinatal growth restriction (GR) is associated with heightened sympathetic tone and hypertension. We have previously shown that naturally occurring neonatal GR programmes hypertension in male but not female mice. We therefore hypothesized that intact ovarian function or post-ovariectomy (OVX) oestrogen administration protects GR female mice from hypertension. Utilizing a non-interventional model that categorizes mice with weanling weights below the tenth percentile as GR, control and GR adult mice were studied at three distinct time points: baseline, post-OVX and post-OVX with oral oestrogen replacement. OVX elicited hypertension in GR mice that was significantly exacerbated by psychomotor arousal (systolic blood pressure at light to dark transition: control 122±2; GR 119±2; control-OVX 116±3; GR-OVX 126±3 mmHg). Oestrogen partially normalized the rising blood pressure surge seen in GR-OVX mice (23±7% reduction). GR mice had left ventricular hypertrophy, and GR-OVX mice in particular had exaggerated bradycardic responses to sympathetic blockade. For GR mice, a baseline increase in baroreceptor reflex sensitivity and high frequency spectral power support a vagal compensatory mechanism, and that compensation was lost following OVX. For GR mice, the OVX-induced parasympathetic withdrawal was partially restored by oestrogen (40±25% increase in high frequency spectral power, P<0.05). In conclusion, GR alters cardiac morphology and cardiovascular regulation. The haemodynamic consequences of GR are attenuated in ovarian-sufficient or oestrogen-replete females. Further investigations are needed to define the role of hormone replacement therapy targeted towards young women with oestrogen deficiency and additional cardiovascular risk factors, including perinatal GR, cardiac hypertrophy and morning surge hypertension.
Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane
Authors: Liu Jian , Zhang Zhijun
Published: January 2016

Path integral Liouville dynamics (PILD) is applied to vibrational dynamics of several simple but representative realistic molecular systems (OH, water, ammonia, and methane). The dipole-derivative autocorrelation function is employed to obtain the infrared spectrum as a function of temperature and isotopic substitution. Comparison to the exact vibrational frequency shows that PILD produces a reasonably accurate peak position with a relatively small full width at half maximum. PILD offers a potentially useful trajectory-based quantum dynamics approach to compute vibrational spectra of molecular systems.
Energy conservative solutions to the system of full variational sine-Gordon equations in a unit sphere
Authors: Wang Qin , Song Kyungwoo
Published: January 2016

We establish the global existence of a conservative weak solution to the Cauchy problem for a complete system of variational sine-Gordon equations, which models the motion of long waves on a neutral dipole chain in the continuum limit in a unit sphere. Although singularities may develop in finite time, the energy of the solution is conserved across singular times. We also obtain the continuous dependence of solutions on the given initial data.
Impact of reduced symmetry on magnetic anisotropy of a single iron phthalocyanine molecule on a Cu substrate
Authors: Tsukahara Noriyuki , Kawai Maki , Takagi Noriaki
Published: January 2016

We study the magnetic anisotropy of a single iron phthalocyanine (FePc) molecule on a Cu(110) (2 × 1)-O by using inelastic electron tunneling spectroscopy (IETS) with low-temperature scanning tunneling microscopy. Two inelastic excitations derived from the splitting of the molecular triplet spin state appear as two pairs of steps symmetrically with respect to zero sample voltage. We measured IETS spectra with external magnetic fields perpendicular and parallel to the molecular plane, and we analyzed the spectral evolution with the effective spin Hamiltonian approach. We determined all parameters related with magnetic anisotropy at a single-molecule level, both the easy- and hard-magnetization directions, zero-field splitting constant, D = − 4.0 meV and E = 1.1 meV, the Lande g-tensor gxx, gyy, gzz=(1.82, 2.02, 2.34), and the constant of spin–orbit coupling λ = − 19.1 meV. We stress that the symmetry breaking caused by the adsorption of FePc on the oxidized Cu(110) significantly impacts the magnetic anisotropy.
Characterizing the signature of flame flashback precursor through recurrence analysis
Authors: Christodoulou Loizos , Kabiraj Lipika , Saurabh Aditya , Karimi Nader
Published: January 2016

In this paper, it is shown that prior to flashback, small dynamical changes appear in the system. These changes appear as a drift in the recurrence plots and are found to be associated with a gradual increase in the determinism and recurrence rate. Thus, this study indicates that precursors to flame flashback exist and can be detected in the multidimensional phase space reconstructed from pressure measurements acquired during flashback. This observation could have broad academic as well as industrial implications.
Monte Carlo simulations of ionization potential depression in dense plasmas
Authors: Stransky M.
Published: January 2016

A particle-particle grand canonical Monte Carlo model with Coulomb pair potential interaction was used to simulate modification of ionization potentials by electrostatic microfields. The Barnes-Hut tree algorithm [J. Barnes and P. Hut, Nature 324, 446 (1986)] was used to speed up calculations of electric potential. Atomic levels were approximated to be independent of the microfields as was assumed in the original paper by Ecker and Kröll [Phys. Fluids 6, 62 (1963)]; however, the available levels were limited by the corresponding mean inter-particle distance. The code was tested on hydrogen and dense aluminum plasmas. The amount of depression was up to 50% higher in the Debye-Hückel regime for hydrogen plasmas, in the high density limit, reasonable agreement was found with the Ecker-Kröll model for hydrogen plasmas and with the Stewart-Pyatt model [J. Stewart and K. Pyatt, Jr., Astrophys. J. 144, 1203 (1966)] for aluminum plasmas. Our 3D code is an improvement over the spherically symmetric simplifications of the Ecker-Kröll and Stewart-Pyatt models and is also not limited to high atomic numbers as is the underlying Thomas-Fermi model used in the Stewart-Pyatt model.
The distinguishable cluster approach from a screened Coulomb formalism
Authors: Kats Daniel
Published: January 2016

The distinguishable cluster doubles equations have been derived starting from an effective screened Coulomb formalism and a particle-hole symmetric formulation of the Fock matrix. A perturbative triples correction to the distinguishable cluster with singles and doubles (DCSD) has been introduced employing the screened integrals. It is shown that the resulting DCSD(T) method is more accurate than DCSD for reaction energies and is less sensitive to the static correlation than coupled cluster with singles and doubles with a perturbative triples correction.
The enhanced photocurrent of epitaxial BiFeO3 film at 130 °C
Authors: Yang Yuxi , Xu Wenting , Xu Xijun , Wang Yaojin , Yuan Guoliang , Wang Yiping , Liu Zhiguo
Published: January 2016

The short-circuit photocurrent (ISC) that can be reversed by polarization switch enhances with temperature increasing to 130 °C in the epitaxial BiFeO3 thin film on SrTiO3 substrate. The La2/3Sr1/3MnO3/BiFeO3/indium tin oxide (In2O3:SnO2 = 9:1) junction shows the current rectifying characteristic and the photovoltaic effect at 20–130 °C. Importantly, the ISC can be reversed by the polarization switch in this temperature range. More charge carriers are activated and the density of free electrons enhances with the increase in the temperature, which results in the decrease in the depletion layer width. As a result, the open-circuit voltage decreases 50% and the ISC increases from 180 nA to 404 nA with the increase in the temperature from 20 °C to 130 °C. This suggests that the corresponding sensors and devices can be used at a relatively high temperature.
Effect of ghrelin and leptin receptors genes polymorphisms on production results and physicochemical characteristics of M. pectoralis superficialis in broiler chickens
Authors: Kaczor U. , Poltowicz K. , Kucharski M. , Sitarz A. M. , Nowak J. , Wojtysiak D. , Zieba D. A.
Published: January 2016

Ghrelin and leptin and their receptors GHSR and LEPR regulate food intake, the processes in adipose tissue, and the body’s energy homeostasis in mammals. The aim of the present study was to determine the effect of GHSR/Csp6I and LEPR/Bsh1236I polymorphisms on the meat production parameters of broiler chickens reared to 42 days of age. In 318 fast-growing Hubbard Flex and Ross 308 chickens, g.3051C > T substitution at the GHSR locus and a GGTCAA deletion at positions g.3407_3409del and g.3411_3413del were identified. The use of restriction enzyme Bsh1236I showed the presence of two transitions g.352C > T and g.427G > A in LEPR locus. The chickens were classified into four GHSR/Csp6I and into five LEPR/Bsh1236I diplotypes. GHSR and LEPR polymorphisms were found to influence final bodyweight, daily gain, dressing percentage without giblets, proportion of giblets and the quality characteristics of M. pectoralis superficialis. GHSR/Csp6I and LEPR/Bsh1236I had an effect on pH24 h (P < 0.05) and lightness (L*) of M. pectoralis superficialis (P < 0.05), whereas GHSR/Csp6I influenced shear force (P < 0.05) and thawing loss (P < 0.05). GHSR/Csp6I and LEPR/Bsh1236I were found to have no effect on the abdominal fat content in chicken carcasses. Single nucleotide polymorphisms reported in the present study could be used in breeding programs as selection markers for growth traits and poultry meat quality.
Enhanced supercapacitive performance of cost-effectively synthesized ZnO-reduced graphene oxide composite
Authors: Majeed A. , Anwar A. W. , Ullah W. , Aziz T. , Sharif R. , Sharif A.
Published: January 2016

Commercially accessible and long-lasting resources of energy are among the foremost areas of current research. Supercapacitors have taken the position of very thoughtful candidates in the energy-storing field to meet the modern necessities. Several graphene-based materials have been employed for supercapacitor electrodes. Here, we demonstrated an economical and advanced hydrothermal technique using combination of two reducing materials (urea and starch) for the fabrication of reduced graphene oxide/zinc oxide (RGO/ZnO) composite. The X-ray diffraction and scanning electron microscopy analysis were carried out to study the structure and of RGO/ZnO composite. The supercapacitive behaviour of RGO/ZnO composite was studied via cyclic voltammetry and galvanostatic charge/discharge experiments. The results showed enhanced specific capacitance (313.14 F g−1) with good cyclic stability (1000 cycles).
The asymmetry of pectoralis muscles is greater in male prepubertal than in professional tennis players
Authors: Sanchis‐Moysi Joaquin , Dorado Cecilia , Idoate Fernando , González‐Henríquez Juan J. , Serrano‐Sanchez Jose A. , Calbet Jose A. L.
Published: January 2016

It is generally accepted that preadolescents have a limited capacity to develop muscle hypertrophy in response to exercise compared with older populations; however, studies are scarce and conflicting. The main aim of the present study was to assess if playing tennis is associated with the hypertrophy of dominant pectoralis muscles (PM) in professional (PRO) and in prepubescent tennis players (PRE). A secondary aim was to assess if the degree of asymmetry of PM is greater in PRO than PRE. The volume of PM of both sides was determined using magnetic resonance imaging in 8 male PRO (21.9 years), 6 male PRE (11 years, Tanner 1–2) and 12 male non‐active controls (6 adults: 23.5 years; and 6 prepubescents: 10.7 years, Tanner 1–2). PRO and PRE had 15 and 30% greater volume, respectively, in the dominant than in the contralateral PM (P < .01). No significant side‐to‐side differences in PM volume were observed in the non‐active controls (3%, P = .34 in adults and 5%, P = .17 in children). The degree of side‐to‐side asymmetry in PM volume was greater in PRE than in PRO (P < .05). In conclusion, tennis practice is associated with marked hypertrophy of dominant PM in tennis players, even at prepubertal age, whilst non‐active age‐matched control subjects display similar volumes in both sides. The larger asymmetry observed in PRE than in PRO may indicate a greater relative loading in the children or increased contralateral hypertrophy in the professionals. This study demonstrates that prepubertal children respond with marked hypertrophy to loading by tennis.