bluuebunny/crossref_metadata_2025 huggingface dataset:
Erratum: Temporal dynamics of Puumala hantavirus infection in cyclic populations of bank voles
Authors: Voutilainen Liina , Kallio Eva R. , Niemimaa Jukka , Vapalahti Olli , Henttonen Heikki
Published: April 2016

Scientific Reports 6: Article number: 21323; published online: 18 February 2016; updated: 13 April 2016 Supplementary Datasets 2–5 were inadvertently published with the original version of this Article. These have now been removed.
Erratum: Persistent activation of microglia and NADPH oxidase drive hippocampal dysfunction in experimental multiple sclerosis
Authors: Di Filippo Massimiliano , de Iure Antonio , Giampà Carmela , Chiasserini Davide , Tozzi Alessandro , Orvietani Pier Luigi , Ghiglieri Veronica , Tantucci Michela , Durante Valentina , Quiroga-Varela Ana , Mancini Andrea , Costa Cinzia , Sarchielli Paola , Fusco Francesca Romana , Calabresi Paolo
Published: April 2016

Scientific Reports 6: Article number: 20926; published online: 18 February 2016; updated: 13 April 2016 The original version of this Article contained an error in the title of the paper, where “Persistent activation of microglia and NADPH oxidase drive hippocampal dysfunction in experimental multiple sclerosis” was incorrectly given as “Persistent activation of microglia and NADPH drive hippocampal dysfunction in experimental multiple sclerosis”.
Computational Approach Towards Exploring Potential Anti-Chikungunya Activity of Selected Flavonoids
Authors: Seyedi Seyedeh Somayeh , Shukri Munirah , Hassandarvish Pouya , Oo Adrian , Shankar Esaki Muthu , Abubakar Sazaly , Zandi Keivan
Published: April 2016

Chikungunya virus (CHIKV) is a mosquito-borne alphavirus that causes chikungunya infection in humans. Despite the widespread distribution of CHIKV, no antiviral medication or vaccine is available against this virus. Therefore, it is crucial to find an effective compound to combat CHIKV. We aimed to predict the possible interactions between non-structural protein 3 (nsP) of CHIKV as one of the most important viral elements in CHIKV intracellular replication and 3 potential flavonoids using a computational approach. The 3-dimensional structure of nsP3 was retrieved from the Protein Data Bank, prepared and, using AutoDock Vina, docked with baicalin, naringenin and quercetagetin as ligands. The first-rated ligand with the strongest binding affinity towards the targeted protein was determined based on the minimum binding energy. Further analysis was conducted to identify both the active site of the protein that reacts with the tested ligands and all of the existing intermolecular bonds. Compared to the other ligands, baicalin was identified as the most potential inhibitor of viral activity by showing the best binding affinity (−9.8 kcal/mol). Baicalin can be considered a good candidate for further evaluation as a potentially efficient antiviral against CHIKV.
Differential and transferable modulatory effects of mesenchymal stromal cell-derived extracellular vesicles on T, B and NK cell functions
Authors: Di Trapani Mariano , Bassi Giulio , Midolo Martina , Gatti Alessandro , Takam Kamga Paul , Cassaro Adriana , Carusone Roberta , Adamo Annalisa , Krampera Mauro
Published: April 2016

Mesenchymal stromal cells (MSCs) are multipotent cells, immunomodulatory stem cells that are currently used for regenerative medicine and treatment of a number of inflammatory diseases, thanks to their ability to significantly influence tissue microenvironments through the secretion of large variety of soluble factors. Recently, several groups have reported the presence of extracellular vesicles (EVs) within MSC secretoma, showing their beneficial effect in different animal models of disease. Here, we used a standardized methodological approach to dissect the immunomodulatory effects exerted by MSC-derived EVs on unfractionated peripheral blood mononuclear cells and purified T, B and NK cells. We describe here for the first time: i. direct correlation between the degree of EV-mediated immunosuppression and EV uptake by immune effector cells, a phenomenon further amplified following MSC priming with inflammatory cytokines; ii. induction in resting MSCs of immunosuppressive properties towards T cell proliferation through EVs obtained from primed MSCs, without any direct inhibitory effect towards T cell division. Our conclusion is that the use of reproducible and validated assays is not only useful to characterize the mechanisms of action of MSC-derived EVs, but is also capable of justifying EV potential use as alternative cell-free therapy for the treatment of human inflammatory diseases.
Characterization of functional trait diversity among Indian cultivated and weedy rice populations
Authors: Rathore M. , Singh Raghwendra , Kumar B. , Chauhan B. S.
Published: April 2016

Weedy rice, a menace in rice growing areas globally, is biosimilar having attributes similar to cultivated and wild rice, and therefore is difficult to manage. A study was initiated to characterize the functional traits of 76 weedy rice populations and commonly grown rice cultivars from different agro-climatic zones for nine morphological, five physiological, and three phenological parameters in a field experiment under an augmented block design. Comparison between weedy and cultivated rice revealed a difference in duration (days) from panicle emergence to heading as the most variable trait and awn length as the least variable one, as evidenced from their coefficients of variation. The results of principal component analysis revealed the first three principal components to represent 47.3% of the total variation, which indicates an important role of transpiration, conductance, leaf-air temperature difference, days to panicle emergence, days to heading, flag leaf length, SPAD (soil-plant analysis development), grain weight, plant height, and panicle length to the diversity in weedy rice populations. The variations existing in weedy rice population are a major reason for its wider adaptability to varied environmental conditions and also a problem while trying to manage it.
Robust Type-specific Hemisynapses Induced by Artificial Dendrites
Authors: Kim Eun Joong , Jeon Chang Su , Lee Soo Youn , Hwang Inseong , Chung Taek Dong
Published: April 2016

Type-specificity of synapses, excitatory and inhibitory, regulates information process in neural networks via chemical neurotransmitters. To lay a foundation of synapse-based neural interfaces, artificial dendrites are generated by covering abiotic substrata with ectodomains of type-specific synaptogenic proteins that are C-terminally tagged with biotinylated fluorescent proteins. The excitatory artificial synapses displaying engineered ectodomains of postsynaptic neuroligin-1 (NL1) induce the formation of excitatory presynapses with mixed culture of neurons in various developmental stages, while the inhibitory artificial dendrites displaying engineered NL2 and Slitrk3 induce inhibitory presynapses only with mature neurons. By contrast, if the artificial dendrites are applied to the axonal components of micropatterned neurons, correctly-matched synaptic specificity emerges regardless of the neuronal developmental stages. The hemisynapses retain their initially established type-specificity during neuronal development and maintain their synaptic strength provided live neurons, implying the possibility of durable synapse-based biointerfaces.
In vitro antibacterial activity of ZnO and Nd doped ZnO nanoparticles against ESBL producing Escherichia coli and Klebsiella pneumoniae
Authors: Hameed Abdulrahman Syedahamed Haja , Karthikeyan Chandrasekaran , Ahamed Abdulazees Parveez , Thajuddin Nooruddin , Alharbi Naiyf S. , Alharbi Sulaiman Ali , Ravi Ganasan
Published: April 2016

Pure ZnO and Neodymium (Nd) doped ZnO nanoparticles (NPs) were synthesized by the co-precipitation method. The synthesized nanoparticles retained the wurtzite hexagonal structure. From FESEM studies, ZnO and Nd doped ZnO NPs showed nanorod and nanoflower like morphology respectively. The FT-IR spectra confirmed the Zn-O stretching bands at 422 and 451 cm−1 for ZnO and Nd doped ZnO NPs respectively. From the UV-VIS spectroscopic measurement, the excitonic peaks were found around 373 nm and 380 nm for the respective samples. The photoluminescence measurements revealed that the broad emission was composed of ten different bands due to zinc vacancies, oxygen vacancies and surface defects. The antibacterial studies performed against extended spectrum β-lactamases (ESBLs) producing strains of Escherichia coli and Klebsiella pneumoniae showed that the Nd doped ZnO NPs possessed a greater antibacterial effect than the pure ZnO NPs. From confocal laser scanning microscopic (CLSM) analysis, the apoptotic nature of the cells was confirmed by the cell shrinkage, disorganization of cell wall and cell membrane and dead cell of the bacteria. SEM analysis revealed the existence of bacterial loss of viability due to an impairment of cell membrane integrity, which was highly consistent with the damage of cell walls.
Identification of RELN variation p.Thr3192Ser in a Chinese family with schizophrenia
Authors: Zhou Zhifan , Hu Zhengmao , Zhang Lu , Hu Zhaoting , Liu Haihong , Liu Zhening , Du Juan , Zhao Jingping , Zhou Lin , Xia Kun , Tang Bengsha , Shen Lu
Published: April 2016

Schizophrenia (SCZ) is a serious psychiatric disease with strong heritability. Its complexity is reflected by extensive genetic heterogeneity and much of the genetic liability remains unaccounted for. We applied a combined strategy involving detection of copy number variants (CNVs), whole-genome mapping and exome sequencing to identify the genetic basis of autosomal-dominant SCZ in a Chinese family. To rule out pathogenic CNVs, we first performed Illumina single nucleotide polymorphism (SNP) array analysis on samples from two patients and one psychiatrically healthy family member, but no pathogenic CNVs were detected. In order to further narrow down the susceptible region, we conducted genome-wide linkage analysis and mapped the disease locus to chromosome 7q21.13-22.3, with a maximum multipoint logarithm of odds score of 2.144. Whole-exome sequencing was then carried out with samples from three affected individuals and one unaffected individual in the family. A missense variation c.9575 C > G (p.Thr3192Ser) was identified in RELN, which is known as a risk gene for SCZ, located on chromosome 7q22, in the pedigree. This rare variant, as a highly penetrant risk variant, co-segregated with the phenotype. Our results provide genetic evidence that RELN may be one of pathogenic gene in SCZ.
Comprehensive and quantitative proteomic analyses of zebrafish plasma reveals conserved protein profiles between genders and between zebrafish and human
Authors: Li Caixia , Tan Xing Fei , Lim Teck Kwang , Lin Qingsong , Gong Zhiyuan
Published: April 2016

Omic approaches have been increasingly used in the zebrafish model for holistic understanding of molecular events and mechanisms of tissue functions. However, plasma is rarely used for omic profiling because of the technical challenges in collecting sufficient blood. In this study, we employed two mass spectrometric (MS) approaches for a comprehensive characterization of zebrafish plasma proteome, i.e. conventional shotgun liquid chromatography-tandem mass spectrometry (LC-MS/MS) for an overview study and quantitative SWATH (Sequential Window Acquisition of all THeoretical fragment-ion spectra) for comparison between genders. 959 proteins were identified in the shotgun profiling with estimated concentrations spanning almost five orders of magnitudes. Other than the presence of a few highly abundant female egg yolk precursor proteins (vitellogenins), the proteomic profiles of male and female plasmas were very similar in both number and abundance and there were basically no other highly gender-biased proteins. The types of plasma proteins based on IPA (Ingenuity Pathway Analysis) classification and tissue sources of production were also very similar. Furthermore, the zebrafish plasma proteome shares significant similarities with human plasma proteome, in particular in top abundant proteins including apolipoproteins and complements. Thus, the current study provided a valuable dataset for future evaluation of plasma proteins in zebrafish.
The Cumulative Cisplatin Dose Affects the Long-Term Survival Outcomes of Patients with Nasopharyngeal Carcinoma Receiving Concurrent Chemoradiotherapy
Authors: Peng Hao , Chen Lei , Li Wen-Fei , Guo Rui , Mao Yan-Ping , Zhang Yuan , Zhang Fan , Liu Li-Zhi , Tian Li , Lin Ai-Hua , Sun Ying , Ma Jun
Published: April 2016

The prognostic value of the cumulative cisplatin dose (CCD) remains controversial for patients with nasopharyngeal carcinoma (NPC) receiving only concurrent chemoradiotherapy (CCRT). We retrospectively reviewed 549 consecutive patients with non-metastatic, histologically-proven NPC treated using intensity-modulated radiotherapy (IMRT) at Sun Yat-sen university cancer center. Patient survival between different CCD groups were compared. The cut-off value of pre-treatment plasma EBV DNA (pre-DNA) and CCD based on disease-free survival (DFS) were 1460 copies/ml (AUC, 0.691; sensitivity, 0.717; specificity, 0.635) and 240 mg/m2 (AUC, 0.506; sensitivity, 0.526; specificity, 0.538), respectively. Of the entire cohort, 92/549 (16.8%) patients received a CCD ≥ 240 mg/m2 and 457 (83.2%) patients, <240 mg/m2. For CCD ≥ 240 mg/m2 vs. < 240 mg/m2, the estimated 4-year DFS, overall survival (OS), locoregional-free survival (LRFFS) and distant metastasis-free survival (DMFS) rates were 89.1% vs. 81.3% (P = 0.097), 92.4% vs. 90.0% (P = 0.369), 95.6% vs. 91.2% (P = 0.156), and 91.3% vs. 88.4% (P = 0.375), respectively. For the whole cohort, multivariate analysis identified the CCD was an independent prognostic factor for DFS (HR, 0.515; 95% CI, 0.267–0.995; P = 0.048). However, CCD (≥240 mg/m2) had no prognostic value in subgroup analysis with stratification by the cut-off value of pre-DNA (P > 0.05 for all rates).
Green tea consumption is associated with reduced incident CHD and improved CHD-related biomarkers in the Dongfeng-Tongji cohort
Authors: Tian Chong , Huang Qiao , Yang Liangle , Légaré Sébastien , Angileri Francesca , Yang Handong , Li Xiulou , Min Xinwen , Zhang Ce , Xu Chengwei , Yuan Jing , Miao Xiaoping , He Mei-an , Wu Tangchun , Zhang Xiaomin
Published: April 2016

Prospective studies on the association of green tea with risk of coronary heart disease (CHD) incidence were scarce. This study examined whether green tea can reduce CHD incidence and have a beneficial effect on CHD-related risk markers in middle-aged and older Chinese population. We included 19 471 participants who were free of CHD, stroke or cancer at baseline from September 2008 to June 2010, and were followed until October 2013. Cox proportional hazard models were used to examine the hazard ratios (HR) of CHD incidence in relation to green tea consumption. Linear regression models were used to evaluate the effect of green tea on 5-year changes of CHD-related biomarkers. Compared with non-green tea consumers, the multivariable-adjusted HR for CHD was 0.89 (95% CI, 0.81-0.98) in green tea consumers. Particularly, the reduced risk of CHD incidence with green tea consumption was more evident among participants who were male, more than 60 years old, overweight, or with diabetes mellitus. In addition, green tea consumption improved multiple CHD-related risk markers including total cholesterol, HDL-cholesterol, triglycerides, mean platelet volume, and uric acid. In conclusion, green tea consumption was associated with a reduced risk of CHD incidence in the middle-aged and older Chinese populations, and the association might be partly due to altered CHD-related biomarkers.
Indian monsoon variability on millennial-orbital timescales
Authors: Kathayat Gayatri , Cheng Hai , Sinha Ashish , Spötl Christoph , Edwards R. Lawrence , Zhang Haiwei , Li Xianglei , Yi Liang , Ning Youfeng , Cai Yanjun , Lui Weiguo Lui , Breitenbach Sebastian F. M.
Published: April 2016

The Indian summer monsoon (ISM) monsoon is critical to billions of people living in the region. Yet, significant debates remain on primary ISM drivers on millennial-orbital timescales. Here, we use speleothem oxygen isotope (δ18O) data from Bittoo cave, Northern India to reconstruct ISM variability over the past 280,000 years. We find strong coherence between North Indian and Chinese speleothem δ18O records from the East Asian monsoon domain, suggesting that both Asian monsoon subsystems exhibit a coupled response to changes in Northern Hemisphere summer insolation (NHSI) without significant temporal lags, supporting the view that the tropical-subtropical monsoon variability is driven directly by precession-induced changes in NHSI. Comparisons of the North Indian record with both Antarctic ice core and sea-surface temperature records from the southern Indian Ocean over the last glacial period do not suggest a dominant role of Southern Hemisphere climate processes in regulating the ISM variability on millennial-orbital timescales.
Charge Transfer Dynamics at Dye-Sensitized ZnO and TiO2 Interfaces Studied by Ultrafast XUV Photoelectron Spectroscopy
Authors: Borgwardt Mario , Wilke Martin , Kampen Thorsten , Mähl Sven , Xiao Manda , Spiccia Leone , Lange Kathrin M. , Kiyan Igor Yu. , Aziz Emad F.
Published: April 2016

Interfacial charge transfer from photoexcited ruthenium-based N3 dye molecules into ZnO thin films received controversial interpretations. To identify the physical origin for the delayed electron transfer in ZnO compared to TiO2, we probe directly the electronic structure at both dye-semiconductor interfaces by applying ultrafast XUV photoemission spectroscopy. In the range of pump-probe time delays between 0.5 to 1.0 ps, the transient signal of the intermediate states was compared, revealing a distinct difference in their electron binding energies of 0.4 eV. This finding strongly indicates the nature of the charge injection at the ZnO interface associated with the formation of an interfacial electron-cation complex. It further highlights that the energetic alignment between the dye donor and semiconductor acceptor states appears to be of minor importance for the injection kinetics and that the injection efficiency is dominated by the electronic coupling.
Nanoscale on-chip all-optical logic parity checker in integrated plasmonic circuits in optical communication range
Authors: Wang Feifan , Gong Zibo , Hu Xiaoyong , Yang Xiaoyu , Yang Hong , Gong Qihuang
Published: April 2016

The nanoscale chip-integrated all-optical logic parity checker is an essential core component for optical computing systems and ultrahigh-speed ultrawide-band information processing chips. Unfortunately, little experimental progress has been made in development of these devices to date because of material bottleneck limitations and a lack of effective realization mechanisms. Here, we report a simple and efficient strategy for direct realization of nanoscale chip-integrated all-optical logic parity checkers in integrated plasmonic circuits in the optical communication range. The proposed parity checker consists of two-level cascaded exclusive-OR (XOR) logic gates that are realized based on the linear interference of surface plasmon polaritons propagating in the plasmonic waveguides. The parity of the number of logic 1s in the incident four-bit logic signals is determined, and the output signal is given the logic state 0 for even parity (and 1 for odd parity). Compared with previous reports, the overall device feature size is reduced by more than two orders of magnitude, while ultralow energy consumption is maintained. This work raises the possibility of realization of large-scale integrated information processing chips based on integrated plasmonic circuits, and also provides a way to overcome the intrinsic limitations of serious surface plasmon polariton losses for on-chip integration applications.
Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent
Authors: Peter Emanuel K. , Shea Joan-Emma , Pivkin Igor V.
Published: April 2016

In this paper, we present a coarse replica exchange molecular dynamics (REMD) approach, based on kinetic Monte Carlo (kMC).
Understanding adsorption of CO2, N2, CH4 and their mixtures in functionalized carbon nanopipe arrays
Authors: Halder Prosun , Maurya Manish , Jain Surendra K. , Singh Jayant K.
Published: April 2016

Effects of functionalization on excess adsorption of CO2 (a) and selectivity of equimolar mixtures in 5% COOH functionalized CMK-5 (b).
A methyl ketone bridged molecule as a multi-stimuli-responsive color switch for electrochromic devices
Authors: Zhang Yu-Mo , Xie Fuli , Li Wen , Wang Yuyang , Zhang Weiran , Wang Xiaojun , Li Minjie , Zhang Sean Xiao-An
Published: April 2016

A new multi-stimuli-responsive molecular switch M5 with a methyl ketone bridge has been developed to fabricate a visible-near infrared absorbing electrochromic device.
A novel logic gate based on liquid-crystals responding to the DNA conformational transition
Authors: Xiao Fubing , Tan Hui , Wu Yan , Liao Shuzhen , Wu Zhaoyang , Shen Guoli , Yu Ruqin
Published: April 2016

A novel LC-based DNA logic gate was constructed utilizing the reorientation of LCs triggered by metal-ion-mediated DNA probe conformational changes.
Surface-oxidized carbon black as a catalyst for the water oxidation and alcohol oxidation reactions
Authors: Suryanto Bryan H. R. , Zhao Chuan
Published: April 2016

Surface oxidized carbon black after acidic treatment and electrochemical oxidation exhibits significant catalytic activity for the electrochemical oxidation of water and alcohols.
Intramolecular 1,5-H transfer reaction of aryl iodides through visible-light photoredox catalysis: a concise method for the synthesis of natural product scaffolds
Authors: Chen Jian-Qiang , Wei Yun-Long , Xu Guo-Qiang , Liang Yong-Min , Xu Peng-Fei
Published: April 2016

The intramolecular 1,5-H transfer reaction of aryl iodides has been realized through visible-light photoredox catalysis.
Looking inside the pores of a MCM-41 based Mo heterogeneous styrene oxidation catalyst: an inelastic neutron scattering study
Authors: Fernandes Cristina I. , Rudić Svemir , Vaz Pedro D. , Nunes Carla D.
Published: April 2016

Inelastic neutron scattering was used to study the adsorbed species at a catalyst's surface and assess product selectivity and confirm a mechanistic proposal.
Development of 3-dimensional time-dependent density functional theory and its application to gas diffusion in nanoporous materials
Authors: Liu Yu
Published: April 2016

An entropy scaling based TDDFT has been proposed and applied to diffusion in a nanoporous material.
Kinetics and thermodynamics of polymethylbenzene formation over zeolites with different pore sizes for understanding the mechanisms of methanol to olefin conversion – a computational study
Authors: Chen Yan-Yan , Wei Zhihong , Wang Sen , Li Junfen , Dong Mei , Qin Zhangfeng , Wang Jianguo , Jiao Haijun , Fan Weibin
Published: April 2016

The most kinetically and thermodynamically favored intermediates from methylation and geminal methylation.
Adsorption and reaction properties of SnBEA, ZrBEA and H-BEA for the formation of p-xylene from DMF and ethylene
Authors: Yu Jingye , Zhu Shiyu , Dauenhauer Paul J. , Cho Hong Je , Fan Wei , Gorte R. J.
Published: April 2016

The adsorption and reaction properties of H-BEA, SnBEA, ZrBEA and siliceous BEA were examined to understand the reaction of 2,5-dimethylfuran (DMF) with ethylene to form p-xylene.
Metabolic engineering with systems biology tools to optimize production of prokaryotic secondary metabolites
Authors: Kim Hyun Uk , Charusanti Pep , Lee Sang Yup , Weber Tilmann
Published: April 2016

This Highlight examines current status of metabolic engineering and systems biology tools deployed for the optimal production of prokaryotic secondary metabolites.
Thermal dynamics of lithium salt mixtures of ionic liquid in water by PGSE NMR spectroscopy
Authors: Nanda Raju
Published: April 2016

The dynamics of ionic liquid–H2O–Li+ salt mixtures have been studied through PGSE NMR spectroscopy.
Polymer-templated mesoporous hybrid oxides of Al and Cu: highly porous sorbents for ammonia
Authors: Tang Hairong , Gunathilake Chamila , Zhou Xuezhi , Jaroniec Mietek
Published: April 2016

Hybrid mesostructures consisting of copper and aluminum oxides were synthesized via co-condensation of suitable precursors in the presence of a triblock copolymer, Pluronic F127.
Magnetoelectric fatigue of Ho-doped Bi5Ti3FeO15 films under the action of bipolar electrical cycling
Authors: Bai Yulong , Chen Jieyu , Zhao Shifeng
Published: April 2016

Pure and Ho-doped Bi5Ti3FeO15 magnetoelectric films were prepared by a sol–gel method, and the influence of bipolar electrical cycling on the ferroelectric, leakage and magnetoelectric properties of the films were studied in detail.
Tetra-sensitive graft copolymer gels with high volume changes
Authors: Gräfe D. , Zschoche S. , Appelhans D. , Voit B.
Published: April 2016

For the preparation of multi-responsive graft copolymer gels for hydrogel-based microsystem technologies, a poly(4-vinylbenzoic acid) macromonomer was prepared in a three-step synthesis.
Flower-like polyaniline–NiO structures: a high specific capacity supercapacitor electrode material with remarkable cycling stability
Authors: Sun Bangning , He Xinping , Leng Xijin , Jiang Yang , Zhao Yudong , Suo Hui , Zhao Chun
Published: April 2016

In this study, we report a binder-free in situ approach to synthesize a polyaniline–NiO composite on a nickel foam as a supercapacitor electrode.
Preparation and characterization of a dual-receptor mesoporous silica nanoparticle–hyaluronic acid–RGD peptide targeting drug delivery system
Authors: Xu Haixing , Wang Zhihui , Li Yan , Guo Yufeng , Zhou Huimin , Li Yiping , Wu Fengzheng , Zhang Lingxi , Yang Xiawen , Lu Bo , Huang Zhijun , Xu Wenjin , Xu Peihu
Published: April 2016

Novel mesoporous silica nanoparticles conjugated with hyaluronic acid and RGD peptide were developed for dual-receptor mediated targeting drug delivery.
Atom-economical synthesis of 3,3,3-trifluoropropanal dialkyl acetals through Pd/C catalyzed acetalization of 3,3,3-trifluoropropene
Authors: Kang Jian-Ping , Lu Ju-You , Li Yang , Wang Zhi-Xuan , Mao Wei , Lu Jian
Published: April 2016

A facile procedure for one-step synthesis of 3,3,3-trifluoropropanal dialkyl acetals from readily available 3,3,3-trifluoropene has been developed. Atom-economical characteristics of this method are beneficial to industrial applications.
Precursor dissolution temperature as a size-controller in Fe3O4 submicrospheres syntheses and their effect in the catalytic degradation of Rhodamine B
Authors: da Costa Carvalho Beatriz , Andrade Corbi Fabiana Cristina , Sigoli Fernando Aparecido , Mazali Italo Odone
Published: April 2016

Iron oxides submicrospheres have been synthesized by a solvothermal method.
Spin-polarization inversion of transport current and tunnel magnetoresistance through a non-collinear uniaxial-molecule-magnet dimer junction with electrode magnetization
Authors: Xue Naitao , Xie Haiqing , Wang Zhimei , Liang J.-Q.
Published: April 2016

In this paper, we study quantum transport through a tunnel junction embedded with a non-collinear uniaxial molecule-magnet-dimer with the magnetization of ferromagnetic electrodes.
A combination of β-cyclodextrin functionalized magnetic graphene oxide nanoparticles with β-cyclodextrin-based sensor for highly sensitive and selective voltammetric determination of tetracycline and doxycycline in milk samples
Authors: Yakout Amr A. , El-Hady Deia Abd
Published: April 2016

Highly sensitive and selective determination of tetracycline and doxycycline in milk samples using solid phase extraction followed by differential pulse voltammetric determination on a β-cyclodextrin modified carbon paste sensor.
Chiral conversion and periodical decay in bridged-azobenzene photoisomerization: an ab initio on-the-fly nonadiabatic dynamics simulation
Authors: Gao Wanqing , Yu Le , Zheng Xiaolei , Lei Yibo , Zhu Chaoyuan , Han Huixian
Published: April 2016

On-the-fly trajectory surface hopping dynamics simulations on the cis ↔ trans photoisomerization mechanisms of bridged-azobenzene upon S1 excitation at the CASSCF level.
QCM-based immunosensor for determining immunoglobulin G
Authors: Yuan Yong J. , Chen Qiaoying , Li Ji
Published: April 2016

A molecular dynamic (MD) simulation for investigating the effect of various mixed thiols on the efficiency of immunoglobulin G (IgG) and protein G immobilization was developed.
Dilution or heating induced thickening in a sodium dodecyl sulfate/p-toluidine hydrochloride aqueous solution
Authors: Zhang Jingyan , Jiang Liangliang , Zhu Zhiyuan , Liu Shiyong
Published: April 2016

Dilution or heating induced desorption of PTH+ increases the effective headgroup area and reduces the tail volume, thereby driving a spontaneous transition from vesicles to WLMs.
Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
Authors: Manz Thomas A. , Limas Nidia Gabaldon
Published: April 2016

We introduce a new atomic population analysis method that performs exceptionally well across an extremely broad range of periodic and non-periodic material types.
Efficient polymer solar cells processed by environmentally friendly halogen-free solvents
Authors: Zhang Zhe , Zhang Xuejuan , Zhang Jicheng , Gong Xue , Liu Yahui , Lu Heng , Li Cuihong , Bo Zhishan
Published: April 2016

New polymer PBBDTBT based PSCs processed from halogen-free solvent (o-xylene/NMP) showed higher PCE of 4.57% than that fabricated using halogenated solvents (DCB/DIO) with a PCE of 4.33%.
Increased sensitivity of extracellular glucose monitoring based on AuNP decorated GO nanocomposites
Authors: Qi Meng , Zhang Yin , Cao Chaomin , Lu Yang , Liu Guozhen
Published: April 2016

AuNP decorated GO nanocomposites (GO-Ph-AuNP) via aryldiazonium salt chemistry have been successfully prepared, which can be used as the immobilization matrix for loading glucose oxidase (GOx) towards a sensitive glucose sensor.
Synthesis of flexible and up-converting luminescent NaYF4:Yb,Er-PET composite film for constructing 980-nm laser-driven biopower
Authors: Wang Zhaojie , Li Wei , Yu Nuo , Liu Zixiao , Zhang Lisha , Chen Zhigang
Published: April 2016

A flexible NaYF4:Yb,Er-PET composite film has been developed for constructing 980-nm laser-driven biopower, and the resulting biopower covered with skin produces a maximal electrical output of 62 μW under 980-nm laser irradiation (intensity: 720 mW cm−2, area: 0.25 cm2).
Hybrid mesoporous microspheres from aqueous droplets containing a silica nanoparticle–polymer network in a W/O suspension
Authors: Sultana S. , Alam Md. A. , Takafuji M. , Ihara H.
Published: April 2016

Mesoporous hybrid microspheres were fabricated from aqueous droplets of homogeneously distributed silica nanoparticles and reactive polymer in W/O suspension. Further calcination provides mesoporous silica microspheres.
Au nanocluster arrays on self-assembled block copolymer thin films as highly active SERS substrates with excellent reproducibility
Authors: Shen Yale , Liu Yuanjun , Wang Wei , Xu Fan , Yan Chao , Zhang Junhao , Wang Jing , Yuan Aihua
Published: April 2016

We demonstrate the fabrication of uniform Au nanocluster arrays utilizing a self-assembled polystyrene-block-poly(4-vinylpyridine) (PS-b-P4VP) thin film as the template and their application as a surface-enhanced Raman scattering (SERS) substrate.
Gene selection and cancer classification using Monte Carlo and nonnegative matrix factorization
Authors: Chen Jing , Ma Qin , Hu Xiaoyan , Zhang Miao , Qin Dongdong , Lu Xiaoquan
Published: April 2016

Cancer classification is a key problem for identifying the genomic biomarkers and treating cancerous tumors in clinical research.
Carbohydrate-based surfactants as photocontrollable inhibitors of ice recrystallization
Authors: Adam Madeleine K. , Poisson Jessica S. , Hu Yingxue , Prasannakumar Geethika , Pottage Matthew J. , Ben Robert N. , Wilkinson Brendan L.
Published: April 2016

We report the synthesis and photocontrollable ice recrystallization inhibition (IRI) activity of a panel of carbohydrate-based surfactants.
Effects of graphene oxide addition on the synthesis and supercapacitor performance of carbon aerogel particles
Authors: Lei Qian , Song Huaihe , Chen Xiaohong , Li Mochen , Li Ang , Tang Bo , Zhou Dai
Published: April 2016

Effects of graphene oxide addition on the synthesis of carbon aerogel particles with morphologies of spheres, irregular-semispheres and wrinkle-capsules were studied, and the specific capacitances of resulted carbon particles were discussed.
An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature
Authors: Gupta Sandeep K. , Rajeshkumar Thayalan , Rajaraman Gopalan , Murugavel Ramaswamy
Published: April 2016

A mononuclear Dy(iii) complex assembled just from five water molecules and two phosphonic diamide ligands combines the advantages of high anisotropy barrier, high blocking temperature and significant coercivity, apart from its remarkable air- and moisture-stability.
Facile synthesis of a metal–organic framework-derived Mn2O3 nanowire coated three-dimensional graphene network for high-performance free-standing supercapacitor electrodes
Authors: Ji Dong , Zhou Hu , Zhang Jian , Dan Yuanyuan , Yang Hongxun , Yuan Aihua
Published: April 2016

3DGN and MOF-derived metal oxide composites as free-standing electrodes for supercapacitors have been reported for the first time which exhibit a high specific capacitance, good rate capability and excellent long cycle stability.
Glucan microparticles thickened with thermosensitive gels as potential carriers for oral delivery of insulin
Authors: Xie Yunchang , Jiang Sifan , Xia Fei , Hu Xiongwei , He Haisheng , Yin Zongning , Qi Jianping , Lu Yi , Wu Wei
Published: April 2016

Glucan microparticles can be efficiently taken up and transported by M cells, and therefore create opportunities for oral delivery of labile biomacromolecules.
Balancing structural distortions via competing 4f and itinerant interactions: a case of polymorphism in magnetocaloric HoCo2
Authors: Mudryk Y. , Paudyal D. , Pathak A. K. , Pecharsky V. K. , Gschneidner K. A.
Published: April 2016

The ground state of HoCo2is governed by 4f electrons while the role of itinerant electrons in magnetism is reduced.
Colloidal AgSbSe2 nanocrystals: surface analysis, electronic doping and processing into thermoelectric nanomaterials
Authors: Liu Yu , Cadavid Doris , Ibáñez Maria , De Roo Jonathan , Ortega Silvia , Dobrozhan Oleksandr , V. Kovalenko Maksym , Cabot Andreu
Published: April 2016

We present a synthesis to produce monodisperse AgSbSe2 nanocrystals with high thermoelectric properties.
Strain-induced enhancement in the thermoelectric performance of a ZrS2monolayer
Authors: Lv H. Y. , Lu W. J. , Shao D. F. , Lu H. Y. , Sun Y. P.
Published: April 2016

The thermoelectric performance of the ZrS2monolayer is greatly enhanced by the biaxial tensile strain, due to the simultaneous increase of the Seebeck coefficient and decrease of the thermal conductivity.
Revealing the influence of the solvent evaporation rate and thermal annealing on the molecular packing and charge transport of DPP(TBFu)2
Authors: Han Guangchao , Shen Xingxing , Duan Ruihong , Geng Hua , Yi Yuanping
Published: April 2016

Correlation between charge mobility and molecular packing is revealed for the samples fabricated under different processing conditions via atomistic simulations.
Tetrameric assembly of hGBP1 is crucial for both stimulated GMP formation and antiviral activity
Authors: Pandita Esha , Rajan Sudeepa , Rahman Safikur , Mullick Ranajoy , Das Saumitra , Sau Apurba Kumar
Published: April 2016

Interferon-γ inducible human guanylate binding protein-1 (hGBP1) shows a unique characteristic that hydrolyses GTP to a mixture of GDP and GMP through successive cleavages, with GMP being the major product. Like other large GTPases, hGBP1 undergoes oligomerization upon substrate hydrolysis, which is essential for the stimulation of activity. It also exhibits antiviral activity against many viruses including hepatitis C. However, which oligomeric form is responsible for the stimulated activity leading to enhanced GMP formation and its influence on antiviral activity, are not properly understood. Using mutant and truncated proteins, our data indicate that transition-state-induced tetramerization is associated with higher rate of GMP formation. This is supported by chimaeras that are defective in both tetramerization and enhanced GMP formation. Unlike wild-type protein, chimaeras did not show allosteric interactions, indicating that tetramerization and enhanced GMP formation are allosterically coupled. Hence, we propose that after the cleavage of the first phosphoanhydride bond GDP·Pi-bound protein dimers transiently associate to form a tetramer that acts as an allosteric switch for higher rate of GMP formation. Biochemical and biophysical studies reveal that sequential conformational changes and interdomain communications regulate tetramer formation via dimer. Our studies also show that overexpression of the mutants, defective in tetramer formation in Rep2a cells do not inhibit proliferation of hepatitis C virus, indicating critical role of a tetramer in the antiviral activity. Thus, the present study not only highlights the importance of hGBP1 tetramer in stimulated GMP formation, but also demonstrates its role in the antiviral activity against hepatitis C virus.
Psoriasis mutations disrupt CARD14 autoinhibition promoting BCL10-MALT1-dependent NF-κB activation
Authors: Howes Ashleigh , O'Sullivan Paul A. , Breyer Felix , Ghose Ashavari , Cao Li , Krappmann Daniel , Bowcock Anne M. , Ley Steven C.
Published: April 2016

Inherited and de novo mutations in the CARD14 gene promote the development of psoriasis, an inflammatory disease of the skin. Caspase recruitment domain-containing protein 14 (CARD14) is a member of the CARMA protein family that includes the structurally related CARD11 adaptor that mediates NF-κB activation by antigen receptors. We investigated the mechanism by which CARD14 mutation in psoriasis activates NF-κB. In contrast with wild-type CARD14, CARD14E138A and CARD14G117S psoriasis mutants interacted constitutively with BCL10 and MALT1, and triggered BCL10- and MALT1-dependent activation of NF-κB in keratinocytes. These alterations disrupted the inhibitory effect of the CARD14 linker region (LR) on NF-κB activation by facilitating BCL10 binding. Therefore, psoriasis mutations activated CARD14 by a mechanism analogous to oncogenic CARD11 mutations in non-Hodgkin B cell lymphomas. CARD14E138A also stimulated MALT1 paracaspase activity and activated both ERK1/2 and p38α MAP kinases. Inhibition of MALT1 with mepazine reduced CARD14E138A-induced expression of specific psoriasis-associated transcripts in keratinocytes. Our results establish the mechanism whereby gain-of-function CARD14 variants, which induce psoriatic disease in affected individuals, activate pro-inflammatory signalling.
Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water
Authors: Singh Rakesh S. , Biddle John W. , Debenedetti Pablo G. , Anisimov Mikhail A.
Published: April 2016

Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two (high and low density) forms of water. While the anomalies are observed in experiments on bulk and confined water and by computer simulation studies of different water-like models, the existence of a LLPT in water is still debated. Unambiguous experimental proof of the existence of a LLPT in bulk supercooled water is hampered by fast ice nucleation which is a precursor of the hypothesized LLPT. Moreover, the hypothesized LLPT, being metastable, in principle cannot exist in the thermodynamic limit (infinite size, infinite time). Therefore, computer simulations of water models are crucial for exploring the possibility of the metastable LLPT and the nature of the anomalies. In this work, we present new simulation results in the NVT ensemble for one of the most accurate classical molecular models of water, TIP4P/2005. To describe the computed properties and explore the possibility of a LLPT, we have applied two-structure thermodynamics, viewing water as a non-ideal mixture of two interconvertible local structures (“states”). The results suggest the presence of a liquid-liquid critical point and are consistent with the existence of a LLPT in this model for the simulated length and time scales. We have compared the behavior of TIP4P/2005 with other popular water-like models, namely, mW and ST2, and with real water, all of which are well described by two-state thermodynamics. In view of the current debate involving different studies of TIP4P/2005, we discuss consequences of metastability and finite size in observing the liquid-liquid separation. We also address the relationship between the phenomenological order parameter of two-structure thermodynamics and the microscopic nature of the low-density structure.
Observations of compound sawteeth in ion cyclotron resonant heating plasma using ECE imaging on experimental advanced superconducting tokamak
Authors: Hussain Azam , Zhao Zhenling , Xie Jinlin , Zhu Ping , Liu Wandong , Ti Ang ,   Experimental Advanced Superconducting Tokamak, Team
Published: April 2016

The spatial and temporal evolutions of compound sawteeth were directly observed using 2D electron cyclotron emission imaging on experimental advanced superconducting tokamak. The compound sawtooth consists of partial and full collapses. After partial collapse, the hot core survives as only a small amount of heat disperses outwards, whereas in the following full collapse a large amount of heat is released and the hot core dissipates. The presence of two q = 1 surfaces was not observed. Instead, the compound sawtooth occurs mainly at the beginning of an ion cyclotron resonant frequency heating pulse and during the L-H transition phase, which may be related to heat transport suppression caused by a decrease in electron heat diffusivity.
Line tension and morphology of a droplet and a bubble attached to the inner wall of a spherical cavity
Authors: Iwamatsu Masao
Published: April 2016

The effects of line tension on the morphology of a lens-shaped droplet and bubble placed on the inner wall of a spherical cavity are studied. The contact angle between the lens-shaped droplet and the concave spherical substrate is expressed by the generalized Young’s formula. The equator of the spherical substrate is found to play a crucial role. Neither a droplet with its contact line on the upper hemisphere of the substrate nor one with its contact line on the lower hemisphere can transform into each other continuously. On a hydrophobic substrate, the contact angle jumps discontinuously to 180∘, and the droplet is detached from the substrate to form a spherical droplet when the line tension is positive and large. This is similar to the drying transition on a flat substrate. On the other hand, on a hydrophilic substrate, the contact angle jumps discontinuously to 0∘ when the line tension is positive and large. Then, the droplet spreads over the whole inner wall to leave a spherical bubble. Therefore, not only the drying transition but also the wetting transition is induced by positive line tension on a concave spherical substrate. There also exist stable as well as metastable droplets, whose phase diagrams can be complex. When the line tension is negative and its magnitude increases, the contact line approaches the equator infinitesimally from either above or below. However, it cannot cross the equator of a spherical cavity continuously. The droplet with a contact line that coincides with the equator is a singular droplet. The contact line is pinned and cannot move, irrespective of the magnitude of the line tension.
Thermal transport properties of multiphase sintered metals microstructures. The copper-tungsten system: Experiments and modeling
Authors: Gheribi Aïmen E. , Autissier Emmanuel , Gardarein Jean-Laurent , Richou Marianne
Published: April 2016

The thermal diffusivity of Cu-W sintered alloys microstructures is measured at room temperature at different compositions, using rear face flash experiments. The samples are synthesized with the Spark Plasma Sintering technique. The resulting microstructures are slightly porous and consist of angular nanoscale grains of tungsten with medium sphericity in a copper matrix. The tungsten particles are at the nanoscale with an average grain size of 250 nm in contrast to the copper matrix for which the average grain size lies in the range 20 μm–30 μm; this is large enough to avoid the grains boundary effect upon the thermal transport. The overall porosity of the microstructures lies within the range: 6%≤P≤12%. Along with the experimental work, a predictive model describing the effective thermal conductivity of multiphasic macrostructures is proposed in order to explain the obtained experimental results. The model was developed based only on physical considerations and contains no empirical parameters; it takes into account the type of microstructure and the microstructure parameters: porosity, grain shape, grain size, and grain size distribution. The agreement between the experiments and the model is found to be excellent.
Impressive electromagnetic shielding effects exhibited by highly ordered, micrometer thick polyaniline films
Authors: R. Mohan Ranjini , Varma Sreekanth J. , Sankaran Jayalekshmi
Published: April 2016

The present work highlights the remarkably high shielding effectiveness of about 68 dB, exhibited by highly ordered and doped polyaniline films, in the microwave frequency range 4–12 GHz, obtained by self-stabilized dispersion polymerization as the synthesis route. The observed shielding effectiveness is found to depend quite sensitively on the electrical conducting properties, which are predominantly controlled by the nature and concentration of the dopants. The structural and morphological characterization of the films using XRD and TEM techniques reveals surprisingly high extent of crystallinity, which contributes significantly towards enhancing the electrical conductivity of the films. Most of the available reports on the microwave response of conducting polymer film samples deal with much thicker films, compared to the micrometer thick films of the present studies. The shielding effectiveness of acid doped, micrometer thick polyaniline films reported in the present work far exceeds most of the previously reported values and meets the commercial requirements.
Induced Ti magnetization at La0.7Sr0.3MnO3 and BaTiO3 interfaces
Authors: Liu Yaohua , Tornos J. , te Velthuis S. G. E. , Freeland J. W. , Zhou H. , Steadman P. , Bencok P. , Leon C. , Santamaria J.
Published: April 2016

In artificial multiferroics hybrids consisting of ferromagnetic La0.7Sr0.3MnO3 (LSMO) and ferroelectric BaTiO3 epitaxial layers, net Ti moments are found from polarized resonant soft x-ray reflectivity and absorption. The Ti dichroic reflectivity follows the Mn signal during the magnetization reversal, indicating exchange coupling between the Ti and Mn ions. However, the Ti dichroic reflectivity shows stronger temperature dependence than the Mn dichroic signal. Besides a reduced ferromagnetic exchange coupling in the interfacial LSMO layer, this may also be attributed to a weak Ti-Mn exchange coupling that is insufficient to overcome the thermal energy at elevated temperatures.