bluuebunny/crossref_metadata_2025 huggingface dataset:
Depressive symptoms and immune response to meningococcal conjugate vaccine in early adolescence
Authors: O'Connor Thomas G. , Moynihan Jan A. , Wyman Peter A. , Carnahan Jennifer , Lofthus Gerry , Quataert Sally A. , Bowman Melissa , Caserta Mary T.
Published: November 2014

Research findings in psychoneuroimmunology document reliable, bidirectional linkages among psychological processes, the nervous system, and the immune system. However, available data are based almost entirely on animal and adult human studies; the application to children and adolescents is uncertain. We capitalized on the experimental leverage provided by a routine vaccination to examine the link between mood symptoms and the immune response to a vaccine challenge in early adolescence. One hundred twenty-six 11-year-olds for whom vaccine response data were available were assessed at prevaccination and 4 weeks, 3 months, and 6 months following vaccination; self-report ratings of depression and anxiety as well as measures of psychosocial and somatic risk were assessed prior to vaccine response. Analyses indicated that children's internalizing mood symptoms were associated with elevated and persistently higher antibody responses, with evidence extending to two of the four serogroups. The associations remained after controlling for multiple possible confounders (social class, body mass index, sleep, psychosocial risk, and pubertal status). The observed enhanced vaccine response associated with depressive and anxious symptoms in early adolescence may reflect an important developmental difference in immune system–brain interplay between adults and children, and it underscores the need for further developmental studies of psychoneuroimmunology.
Mechanism of action of tasimelteon in non-24 sleep-wake syndrome: treatment for a circadian rhythm disorder in blind patients
Authors: Stahl Stephen M.
Published: November 2014

ISSUE:Many individuals with total blindness can develop a circadian rhythm disorder—called non-24 sleep wake syndrome—because they cannot detect light to resynchronize their sleep–wake cycles. A new melatonin 1 and melatonin 2 agonist tasimelteon improves sleep in these patients, resetting their circadian sleep–wake clocks.
Can’t We Make It Any Shorter?
Authors: Rammstedt Beatrice , Beierlein Constanze
Published: November 2014

Psychological constructs are becoming increasingly important in social surveys. Scales for the assessment of these constructs are usually developed primarily for individual assessment and decision-making. Hence, in order to guarantee high levels of reliability, measurement precision, and validity, these scales are in most cases much too long to be applied in surveys. Such settings call for extremely short measures validated for the population as a whole. However, despite the unquestionable demand, appropriate measures are still lacking. There are several reasons for this. In particular, short scales have often been criticized for their potential psychometric shortcomings with regard to reliability and validity. In this article, the authors discuss the advantages of short scales as alternative measures in large-scale surveys. Possible reasons for the assumed limited psychometric qualities of short scales will be highlighted. The authors show that commonly used reliability estimators are not always appropriate for judging the quality of scales with a minimal number of items, and they offer recommendations for alternative estimation methods and suggestions for the construction of a thorough short scale.
Psychometric Comparison of Automated Versus Rational Methods of Scale Abbreviation
Authors: Sandy Carson J. , Gosling Samuel D. , Koelkebeck Tim
Published: November 2014

A family of automated analyses known as Genetic Algorithms (GAs) have recently been applied to abbreviating scales in the psychological literature. This method allows long scales to be abbreviated in a matter of minutes, representing a huge potential savings of time over standard rational methods, which are based on psychometric analyses. To compare the results of the automated GA approach with those of the traditional approach, we used both methods to abbreviate a 40-item measure of psychological values (Portrait Values Questionnaire). The two methods yielded 10- and 20-item measures of values, which proved to be successful at recapturing the properties of the original measure. The abbreviated scales created from two approaches displayed strikingly similar psychometric qualities. The advantages and disadvantages of the different approaches are discussed.
Double Negative (DN) αβ T Cells: misperception and overdue recognition
Authors: Martina Maria N , Noel Sanjeev , Saxena Ankit , Rabb Hamid , Hamad Abdel Rahim A
Published: November 2014

CD4−CD8−double negative (DN) αβ T cells are legitimate components of the normal immune system. However, they are poorly understood and largely ignored by immunologists because of their historical association with the lymphoproliferation that occurs in mice (lpr and gld) and humans (autoimmune lymphoproliferative syndromes patients) with impaired Fas‐mediated apoptosis where they are considered abnormal T cells. We believe that the traditional view that DN T cells that cause lymphoproliferation (hereafter referred to as lpr DN T cells) are CD4 and CD8 T cells that lost their coreceptor, conceived more than two decades ago, is flawed and that conflating lpr DN T cells with DN T cells found in normal immune system (hereafter referred to as nDN T cells) is unnecessarily dampening interest of this potentially important cell type. To begin rectifying these misperceptions, we will revisit the traditional view of lpr DN T cells and show that it does not hold true in light of recent immunological advances. In lieu of it, we offer a new model proposing that Fas‐mediated apoptosis actively removes normally existing DN T cells from the periphery and that impaired Fas‐mediated apoptosis leads to accumulation of these cells rather than de novo generation of DN T cells from activated CD4 or CD8 T cells. By doing so, we hope to provoke a new discussion that may lead to a consensus about the origin of lpr DN T cells and regulation of their homeostasis by the Fas pathway and reignite wider interest in nDN T cells.
Pyrazoleamide compounds are potent antimalarials that target Na+ homeostasis in intraerythrocytic Plasmodium falciparum
Authors: Vaidya Akhil B. , Morrisey Joanne M. , Zhang Zhongsheng , Das Sudipta , Daly Thomas M. , Otto Thomas D. , Spillman Natalie J. , Wyvratt Matthew , Siegl Peter , Marfurt Jutta , Wirjanata Grennady , Sebayang Boni F. , Price Ric N. , Chatterjee Arnab , Nagle Advait , Stasiak Marcin , Charman Susan A. , Angulo-Barturen Iñigo , Ferrer Santiago , Belén Jiménez-Díaz María , Martínez María Santos , Gamo Francisco Javier , Avery Vicky M. , Ruecker Andrea , Delves Michael , Kirk Kiaran , Berriman Matthew , Kortagere Sandhya , Burrows Jeremy , Fan Erkang , Bergman Lawrence W.
Published: November 2014

The quest for new antimalarial drugs, especially those with novel modes of action, is essential in the face of emerging drug-resistant parasites. Here we describe a new chemical class of molecules, pyrazoleamides, with potent activity against human malaria parasites and showing remarkably rapid parasite clearance in an in vivo model. Investigations involving pyrazoleamide-resistant parasites, whole-genome sequencing and gene transfers reveal that mutations in two proteins, a calcium-dependent protein kinase (PfCDPK5) and a P-type cation-ATPase (PfATP4), are necessary to impart full resistance to these compounds. A pyrazoleamide compound causes a rapid disruption of Na+ regulation in blood-stage Plasmodium falciparum parasites. Similar effect on Na+ homeostasis was recently reported for spiroindolones, which are antimalarials of a chemical class quite distinct from pyrazoleamides. Our results reveal that disruption of Na+ homeostasis in malaria parasites is a promising mode of antimalarial action mediated by at least two distinct chemical classes.
PHD3 regulates EGFR internalization and signalling in tumours
Authors: Garvalov Boyan K. , Foss Franziska , Henze Anne-Theres , Bethani Ioanna , Gräf-Höchst Sabine , Singh Devendra , Filatova Alina , Dopeso Higinio , Seidel Sascha , Damm Miriam , Acker-Palmer Amparo , Acker Till
Published: November 2014

Tumours exploit their hypoxic microenvironment to induce a more aggressive phenotype, while curtailing the growth-inhibitory effects of hypoxia through mechanisms that are poorly understood. The prolyl hydroxylase PHD3 is regulated by hypoxia and plays an important role in tumour progression. Here we identify PHD3 as a central regulator of epidermal growth factor receptor (EGFR) activity through the control of EGFR internalization to restrain tumour growth. PHD3 controls EGFR activity by acting as a scaffolding protein that associates with the endocytic adaptor Eps15 and promotes the internalization of EGFR. In consequence, loss of PHD3 in tumour cells suppresses EGFR internalization and hyperactivates EGFR signalling to enhance cell proliferation and survival. Our findings reveal that PHD3 inactivation provides a novel route of EGFR activation to sustain proliferative signalling in the hypoxic microenvironment.
Fundamentals of Thin Film PV Cells
Authors: Irvine Stuart J. C. , Barrioz Vincent
Published: November 2014

This chapter sets out the science behind thin film photovoltaic (PV) materials, the fundamentals of the PV effect and requirements from a material point of view. It provides the basis for the reader to reach an understanding of the solar energy available for a PV solar cell to convert to electricity. The fundamental limitations of the absorbing material within a single junction solar cell, due to its characteristics and in particular its bandgap energy, are described. The material and device design opportunities to go beyond the limits of single junction solar cells are also introduced.
Baseline separation of amino acid biomarkers of hepatocellular carcinoma by polyvinylpyrrolidone-filled capillary electrophoresis with light-emitting diode-induced fluorescence in the presence of mixed micelles
Authors: Chen Yen-Chu , Chang Po-Ling
Published: November 2014

Separation of amino acid biomarkers could be performed by polyvinylpyrrolidone-filled capillary electrophoresis in the presence of mixed micelles.
Evaluation of agglutination strength by a flow-induced cell movement assay based surface plasmon resonance (SPR) technique
Authors: Sudprasert Krisda , Peungthum Patjaree , Vongsakulyanon Apirom , Amarit Ratthasart , Somboonkaew Armote , Sutapun Boonsong , Kitpoka Pimpun , Kunakorn Mongkol , Srikhirin Toemsak
Published: November 2014

Flow-induced cell movement assay based on an SPR biosensor for the quantification of the strength of RBC agglutination via the velocity of RBCs moving on immobilized antibodies.
Simultaneous extraction, separation and purification of microbial genomic DNA and total RNA from acidic habitat samples
Authors: Xie Jianping , Yun Hui , Dong Haigang , Zhao Wenya , Wang Guohua , Qiu Guanzhou , Liu Xinxing
Published: November 2014

DNA and RNA simultaneously extracted fromA. fusing the optimised method. (a) Total nucleic acid extracted fromA. f: lane M1, 1 kb ladder; lane M2,HindIII-cut lambda molecular size marker; lanes 1–4, biological replicates. (b) DNA precipitated by isopropanol. (c) RNA precipitated by LiCl.
Enhanced gas-sensing performance of one-pot-synthesized Pt/CdIn2O4 composites with controlled morphologies
Authors: Chen Chao , Li Junhua , Mi Riding , Liu Yanli
Published: November 2014

Pt/CdIn2O4 composites with different morphologies and various Pt contents were prepared through a facile one-pot hydrothermal method.
Synthesis and evaluation of a silica-bonded concanavalin A material for lectin affinity enrichment of N-linked glycoproteins and glycopeptides
Authors: Liu Yujie , Fu Dongmei , Xiao Yuansheng , Guo Zhimou , Yu Long , Liang Xinmiao
Published: November 2014

A silica-based concanavalin A-bonded material named SG Con A was synthesized and exhibited superior effectiveness in glycoprotein and glycopeptide enrichment.
Amino acid composition of human scalp hair as a biometric classifier and investigative lead
Authors: Rashaid Ayat H. B. , Harrington Peter B. , Jackson Glen P.
Published: November 2014

Hair shaft analysis is becoming increasingly important in clinical applications and forensic science.
Fullerenes: non-transition metal clusters as rechargeable magnesium battery cathodes
Authors: Zhang Ruigang , Mizuno Fuminori , Ling Chen
Published: November 2014

We discovered that non-transition metal clusters have great potential as rechargeable Mg battery cathodes.
Heterogeneous selective hydrogenation of ethylene carbonate to methanol and ethylene glycol over a copper chromite nanocatalyst
Authors: Lian Chao , Ren Fumin , Liu Yuxi , Zhao Guofeng , Ji Yongjun , Rong Hongpan , Jia Wei , Ma Lei , Lu Haiyuan , Wang Dingsheng , Li Yadong
Published: November 2014

Heterogeneous selective hydrogenation of ethylene carbonate to methanol and ethylene glycol, which provides an opportunity for industrial application of CO2indirect conversion, was achieved for the first time over a copper chromite nanocatalyst.
Oxidative regioselective amination of chromones exposes potent inhibitors of the hedgehog signaling pathway
Authors: Samanta Rajarshi , Narayan Rishikesh , Bauer Jonathan O. , Strohmann Carsten , Sievers Sonja , Antonchick Andrey P.
Published: November 2014

A novel selective coupling of chromones with azoles for the synthesis of biologically active compounds was developed.
Iron catalyzed oxidative assembly of N-heteroaryl and aryl metal reagents using oxygen as an oxidant
Authors: Liu Kun Ming , Liao Lian Yan , Duan Xin Fang
Published: November 2014

N-Heteroaryl and aryl metal reagents, after mediation by a titanate, were cross-coupled under the catalysis of iron using oxygen.
Studies on polymorph conversion in a new cyclodextrin inclusion compound
Authors: Fernandes José A. , Ramos Ana I. , Ribeiro-Claro Paulo , Almeida Paz Filipe A. , Braga Susana S.
Published: November 2014

4-Phenylpyridine-N-oxide and βCD form a stoichiometric inclusion complex with two polymorphs occurring at different crystallisation times. The irreversible conversion of one polymorph into the other was monitored in real time for the first time.
Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition
Authors: Alshahateet Solhe F. , Bhadbhade Mohan M. , Bishop Roger , Scudder Marcia L.
Published: November 2014

X-ray crystallography shows that entirely different structures are produced when the dichlorodiquinoline derivative is crystallised from aprotic dimethylformamide or from protic solvents like methanol or acetic acid, demonstrating the importance of solvent choice in yielding alternative crystal forms.
Critical factors influencing the structures and properties of metal–organic frameworks
Authors: Shen Kang , Zhang Mingdao , Zheng Hegen
Published: November 2014

This article highlights the recent advances in the different factors influencing the structures of MOFs.
Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides
Authors: Seth Saikat Kumar , Lee Vannajan Sanghiran , Yana Janchai , Zain Sharifuddin M. , Cunha Anna C. , Ferreira Vitor F. , Jordão Alessandro K. , de Souza Maria C. B. V. , Wardell Solange M. S. V. , Wardell James L. , Tiekink Edward R. T.
Published: November 2014

The influence of substituents on the formation of supramolecular synthons is described.
Estimating the binding ability of onium ions with CO2and π systems: a computational investigation
Authors: Hussain M. Althaf , Mahadevi A. Subha , Sastry G. Narahari
Published: November 2014

The impact of increasing methyl substitution on onium ions in their complexes with CO2and aromatic systems has been analyzed using DFT calculations.
The substituent effect on the MLCT excited state dynamics of Cu(i) complexes studied by femtosecond time-resolved absorption and observation of coherent nuclear wavepacket motion
Authors: Hua Linqiang , Iwamura Munetaka , Takeuchi Satoshi , Tahara Tahei
Published: November 2014

Ultrafast absorption spectroscopy clarified excited-state dynamics of bis-diimine copper(i) complexes, highlighting the substituent effect on the ultrafast process of the 1MLCT state.
Electronic and optical properties of polypyridylruthenium derivatized polystyrenes: multi-level computational analysis of metallo-polymeric chromophore assemblies
Authors: Watson Zoe , Keinan Shahar , Kanai Yosuke
Published: November 2014

Multi-scale calculations show the role of polymer dynamics on the electronic structure of multi-length [Ru(bpy)3]2+pendant on polystyrene backbone.
Schiff base ligands and their transition metal complexes in the mixtures of ionic liquid + organic solvent: a thermodynamic study
Authors: Shekaari Hemayat , Kazempour Amir , Khoshalhan Maryam
Published: November 2014

Standard partial molar volumes (V0ϕ,IL) of the IL [HMIm]Cl in the binary mixtures of a Schiff base complex + DMF at T = 298.15 to 313.15 K.
The isotope method for the determination of stoichiometry between compounds forming the polypyrrole and glucose oxidase composite
Authors: Garbaras A. , Mikoliunaite L. , Popov A. , Ramanaviciene A. , Remeikis V. , Ramanavicius A.
Published: November 2014

The stable isotope ratio mass spectrometry can be applied for the estimation of composition of composite nanobiomaterials.
Emergence of fiber supercapacitors
Authors: Yu Dingshan , Qian Qihui , Wei Li , Jiang Wenchao , Goh Kunli , Wei Jun , Zhang Jie , Chen Yuan
Published: November 2014

Fiber supercapacitors utilizing one-dimensional cylindrically shaped fibers as electrodes have shown great application potential in wearable electronics and smart textiles.
Sn(iv)-based organometallics as catalysts for the production of fatty acid alkyl esters
Authors: Meneghetti Mario Roberto , Meneghetti Simoni Margareti Plentz
Published: November 2014

This paper discusses mechanistic aspects and applications of organotin(iv) catalysts.
Two chelating-amino-functionalized lanthanide metal–organic frameworks for adsorption and catalysis
Authors: Zhu Yu , Wang Yanmei , Liu Pan , Xia Changkun , Wu Yunlong , Lu Xiaoqing , Xie Jimin
Published: November 2014

The chelating-amine groups lie in channels that enhance CO2 and dye adsorptions. The LnMOFs also show good catalytic activities.
Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity
Authors: Dahcheh Fatme , Stephan Douglas W.
Published: November 2014

A series of bis-carbene Ru-hydride species were prepared and subsequently shown to react with aryl-vinyl-sulfides to give the corresponding biscarbene-alkylidene complexes. The activities of these species for ring-opening metathesis polymerization, ring-closing and cross-metathesis are reported. While these systems are shown to exhibit modest metathesis activities, the reactivity is enhanced in the presence of BCl3.
The many roles of mellitic acid during barium sulfate crystallization
Authors: Boon Matthew P. , Freeman Sandra , Ogden Mark I. , Oliveira Allan , Richmond William R. , Skelton Brian W. , Jones Franca
Published: November 2014

The various roles of mellitic acid during barium sulfate crystallization from nucleation to mesocrystal formation are explored and elucidated.
Lowering of cholesterol bioaccessibility and serum concentrations by saponins: in vitro and in vivo studies
Authors: Vinarova Liliya , Vinarov Zahari , Atanasov Vasil , Pantcheva Ivayla , Tcholakova Slavka , Denkov Nikolai , Stoyanov Simeon
Published: November 2014

Quillaja saponariaandSapindus trifoliatusextracts decrease cholesterol bioaccessibility duringin vitrodigestion and lower serum cholesterol in mice.
Classification of the geographic origin of cigarettes according to Pb isotope ratios by inductively coupled plasma dynamic reaction cell mass spectrometry
Authors: Guo Wei , Hu Shenghong , Wu Zhiwei , Lan Gaoyong , Jin Lanlan , Pang Xugui , Zhan Jincheng , Chen Bin , Tang Zhiyong
Published: November 2014

ICP-DRC-MS was developed for the determination of Pb isotope ratios to distinguish between the geographic origins of cigarettes.
A metabolomics study of the inhibitory effect of 17-beta-estradiol on osteoclast proliferation and differentiation
Authors: Liu Xiaoyan , Liu Yanqiu , Cheng Mengchun , Zhang Xiaozhe , Xiao Hongbin
Published: November 2014

A metabolomics approach was used to explore metabolic alterations during estradiol induced inhibition of osteoclast (RAW 264.7) proliferation and differentiation.
Recent advances in molecular imaging probes for β-amyloid plaques
Authors: Ono Masahiro , Saji Hideo
Published: November 2014

We review recent advances in our development of molecular imaging probes for PET, SPECT, and optical imaging for in vivo detection of β-amyloid plaques in the brain.
Synthesis of Ni–P–B amorphous nanoparticles with uniform size as a potential hydrodeoxygenation catalyst
Authors: Wang Weiyan , Liu Pengli , Wu Kui , Zhang Kun , Li Lu , Qiao Zhiqiang , Yang Yunquan
Published: November 2014

Ni–P–B amorphous nanoparticles were synthesized using a facile chemical reduction method and exhibited good hydrodeoxygenation activity.
Realization of high Curie temperature ferromagnetism in atomically thin MoS2 and WS2 nanosheets with uniform and flower-like morphology
Authors: Yang Zhaolong , Gao Daqiang , Zhang Jing , Xu Qiang , Shi Shoupeng , Tao Kun , Xue Desheng
Published: November 2014

High Curie temperature ferromagnetism has been realized in atomically thin MoS2 and WS2 nanosheets.
Unraveling the contributions of hydrogen-bonding interactions to the activity of native and non-native ligands in the quorum-sensing receptor LasR
Authors: Gerdt Joseph P. , McInnis Christine E. , Schell Trevor L. , Blackwell Helen E.
Published: November 2014

Systematic analyses of mutant LasR quorum-sensing receptors with its native ligand and a suite of synthetic analogues reveal the importance of specific polar interactions for native receptor activation.
One-step synthesis of Janus hybrid nanoparticles using reverse atom transfer radical polymerization in emulsion
Authors: Song Linlin , Qiao Yisha , Liu Zhihui , Li Yunbo
Published: November 2014

Janus hybrid nanoparticles have been synthesized by one-step reverse atom transfer radical polymerization in emulsion, which reduces the requirement of reaction conditions.
Hydrothermal effect on synthesis, characterization and catalytic properties of calcium methoxide for biodiesel production from crude Jatropha curcas
Authors: Teo Siow Hwa , Taufiq-Yap Yun Hin , Rashid Umer , Islam Aminul
Published: November 2014

Hydrothermal synthesis is a well-suited approach for preparing bulk metal catalysts with high purity as it is cost-effective and easy to control in terms of temperature and time.
Small bandgap naphthalene diimide copolymers for efficient inorganic–organic hybrid solar cells
Authors: Qin Yuancheng , Li Xing , Sun Weifu , Luo Xubiao , Li Mingjun , Tang Xinghua , Jin Xiao , Xie Yu , Ouyang Xinhua , Li Qinghua
Published: November 2014

The energy level control of efficient inorganic–organic hybrid solar cells induced by using a copolymer was demonstrated.
In situ photogalvanic acceleration of optofluidic kinetics: a new paradigm for advanced photocatalytic technologies
Authors: Wang Huizhi , Luo Xiaojiao , Leung Michael K. H. , Leung Dennis Y. C. , Tang Zhiyong , Wang Hailiang , Luque Rafael , Xuan Jin
Published: November 2014

A multiscale-designed optofluidic reactor is demonstrated, featuring an overall reaction rate constant of 1.32 s−1 for photocatalytic decolourization of methylene blue, which is an order of magnitude higher as compared to literature records.
Preparation of 4A-zeolite-based Ag nanoparticle composite catalyst and research of the catalytic properties
Authors: Hu Xiaosong , Bai Jie , Wang Junzhong , Li Chunping , Xu Wei
Published: November 2014

4A-zeolite base silver nanoparticles (Ag NPs) composite catalyst was prepared and the catalytic properties were researched.
Label-free luminescence switch-on detection of hepatitis C virus NS3 helicase activity using a G-quadruplex-selective probe
Authors: Leung Ka-Ho , He Hong-Zhang , He Bingyong , Zhong Hai-Jing , Lin Sheng , Wang Yi-Tao , Ma Dik-Lung , Leung Chung-Hang
Published: November 2014

A novel luminescent G-quadruplex-selective iridium(iii) complex was employed in a label-free G-quadruplex-based detection assay for hepatitis C virus NS3 helicase activity.
Hierarchical Co3O4@Au-decorated PPy core/shell nanowire arrays: an efficient integration of active materials for energy storage
Authors: Hong Wei , Wang Jinqing , Li Zhangpeng , Yang Shengrong
Published: November 2014

We have successfully fabricated hybrid Co3O4@Au-decorated PPy core/shell nanowire arrays (NWAs) on Ni foam via in situ interfacial polymerization between HAuCl4 and pyrrole monomers.
Hierarchical graphene oxide/polyaniline nanocomposites prepared by interfacial electrochemical polymerization for flexible solid-state supercapacitors
Authors: Li Dongjie , Li Yu , Feng Yiyu , Hu Wenping , Feng Wei
Published: November 2014

Hierarchical graphene oxide/polyaniline nanocomposites were synthesized by a one-step interfacial electrochemical polymerization for high-performance flexible solid-state supercapacitors.
Initial decomposition reaction of di-tetrazine-tetroxide (DTTO) from quantum molecular dynamics: implications for a promising energetic material
Authors: Ye Cai-Chao , An Qi , Goddard III William A. , Cheng Tao , Liu Wei-Guang , Zybin Sergey V. , Ju Xue-Hai
Published: November 2014

A variety of initial decomposition reactions are favorable for DTTO, depending on temperature, pressure, and crystal packing.
Amine-functionalized siloxane oligomer facilitated synthesis of subnanometer colloidal Au particles
Authors: Wang Zhen , Beletskiy Evgeny V. , Lee Sungsik , Hou Xianliang , Wu Yuyang , Li Tiehu , Kung Mayfair C. , Kung Harold H.
Published: November 2014

Amine-functionalized siloxane oligomers were synthesized and used successfully to prepare colloidal Au particles smaller than 1 nm.
A c(RGDfE) conjugated multi-functional nanomedicine delivery system for targeted pancreatic cancer therapy
Authors: Sun Jing , Kim Dong-Hyun , Guo Yang , Teng Zhaogang , Li Yanjun , Zheng Linfeng , Zhang Zhuoli , Larson Andrew C. , Lu Guangming
Published: November 2014

Pancreatic cancer is one of the five most lethal malignancies and has a poor prognosis due to its abundant stromal barriers and lack of effective available therapies.
Simultaneous size and color tuning of polymer microparticles in a single-step microfluidic synthesis: particles for fluorescence labeling
Authors: Visaveliya Nikunjkumar , Köhler J. Michael
Published: November 2014

A broad spectrum of homogeneous size-tuned and composed color-tuned fluorescent polymer microparticles prepared in a single-step microfluidic synthesis for labeling applications.
Effects of N-glycosylation on hyperpolarization-activated cyclic nucleotide-gated (HCN) channels
Authors: Li Mo , Tonggu Lige , Tang Lan , Wang Liguo
Published: November 2014

Hyperpolarization-activated cyclic nucleotide-gated (HCN) channels are activated by membrane hyperpolarization and conduct an inward cation current, which contributes to rhythmic electrical activity of neural and cardiac pacemaker cells. HCN channels have been shown to undergo N-linked glycosylation, and the N-glycosylation has been shown to be required for membrane trafficking and possibly function. In this study, recombinant wild-type (WT) and glycosylation-defective N380Q HCN2 channels were individually or co-expressed in HEK-293 cells. We demonstrate that glycosylation is required for trafficking to the plasma membrane and for the stability of HCN channels in the cell. Interestingly, the heteromeric HCN2 channels of WT and glycosylation-defective N380Q have been observed on cell membranes, indicating that not all four subunits of a tetrameric HCN2 channel need to be glycosylated for HCN2 channels to traffic to plasma membranes. Subsequently, we investigate the effect of N-glycosylation on the function of HCN2 channels. We developed a fluorescence-based flux assay, which makes it possible to establish a negative potential inside liposomes to open HCN2 channels. Using this flux assay, we demonstrate that glycosylation-defective N380Q HCN2 channels reconstituted into liposomes function similarly to WT HCN2 channels. This suggests that N-glycosylation is not required for HCN2 channels to function.
Steatosis inhibits liver cell store-operated Ca2+ entry and reduces ER Ca2+ through a protein kinase C-dependent mechanism
Authors: Wilson Claire H. , Ali Eunüs S. , Scrimgeour Nathan , Martin Alyce M. , Hua Jin , Tallis George A. , Rychkov Grigori Y. , Barritt Greg J.
Published: November 2014

Lipid accumulation in hepatocytes can lead to non-alcoholic fatty liver disease (NAFLD), which can progress to non-alcoholic steatohepatitis (NASH) and Type 2 diabetes (T2D). Hormone-initiated release of Ca2+ from the endoplasmic reticulum (ER) stores and subsequent replenishment of these stores by Ca2+ entry through SOCs (store-operated Ca2+ channels; SOCE) plays a critical role in the regulation of liver metabolism. ER Ca2+ homoeostasis is known to be altered in steatotic hepatocytes. Whether store-operated Ca2+ entry is altered in steatotic hepatocytes and the mechanisms involved were investigated. Lipid accumulation in vitro was induced in cultured liver cells by amiodarone or palmitate and in vivo in hepatocytes isolated from obese Zucker rats. Rates of Ca2+ entry and release were substantially reduced in lipid-loaded cells. Inhibition of Ca2+ entry was associated with reduced hormone-initiated intracellular Ca2+ signalling and enhanced lipid accumulation. Impaired Ca2+ entry was not associated with altered expression of stromal interaction molecule 1 (STIM1) or Orai1. Inhibition of protein kinase C (PKC) reversed the impairment of Ca2+ entry in lipid-loaded cells. It is concluded that steatosis leads to a substantial inhibition of SOCE through a PKC-dependent mechanism. This enhances lipid accumulation by positive feedback and may contribute to the development of NASH and insulin resistance.
The dimeric crystal structure of the human fertility lipocalin glycodelin reveals a protein scaffold for the presentation of complex glycans
Authors: Schiefner André , Rodewald Fabian , Neumaier Irmgard , Skerra Arne
Published: November 2014

Human glycodelin (Gd) is an abundant glycoprotein from the lipocalin family and is involved in crucial biological processes such as reproduction and immune reaction. In females and males, Gd is found in four distinct glycoforms–A, C, F and S–that arise from different N-linked oligosaccharide side chains at amino acid residues Asn28 and Asn63. We have expressed Gd (carrying two amino acid substitutions to improve solubility) as a non-glycosylated protein in Escherichia coli via periplasmic secretion and determined its X-ray structure at 2.45 Å resolution. Gd reveals a classical lipocalin fold including two disulfide bridges, which is however unusually compact and lacks a pronounced central pocket inside the β-barrel, in line with its low affinity for hydrophobic ligands. Instead, this lipocalin exhibits a unique homodimeric quaternary structure that appears ideally suited as a scaffold for the presentation of specific glycans. In fact, the four oligosaccharides are presented in close proximity on the same side of the dimer surface, which increases avidity for cellular receptors, e.g. during sperm–egg recognition. A bioinformatic analysis indicated that Gd orthologues exclusively occur in certain suborders of primates that have a menstrual cycle, suggesting that this lipocalin with its role in fertility only recently emerged during evolution.
Grammatical Aspect Is a Strength in the Language Comprehension of Young Children With Autism Spectrum Disorder
Authors: Tovar Andrea T. , Fein Deborah , Naigles Letitia R.
Published: November 2014

Purpose

The comprehension of tense/aspect morphology by children with autism spectrum disorder (ASD) was assessed via Intermodal Preferential Looking (IPL) to determine whether this population's difficulties with producing these morphemes extended to their comprehension.

Method

Four-year-old participants were assessed twice, 4 months apart. They viewed a video that presented side-by-side ongoing and completed events paired with familiar verbs with past tense and progressive morphology. Their eye movements were recorded and coded offline; the IPL measures included percentage of looking time at, and latency of first look to, the matching scene. Spontaneous speech samples were also obtained and coded for number of words, past tense, and progressive inflections.

Results

Relative to their baseline preferences, these 4-year-old children with ASD looked more quickly to and longer at the matching scene for both morphemes. Children who produced more words, including progressive and past morphemes, and those who performed better on standardized language assessments demonstrated better comprehension of –
ing.

Conclusions

Overall, these children with ASD demonstrated consistent comprehension of grammatical aspect morphology; moreover, their degree of comprehension was found to correlate with spontaneous production and standardized test scores.
Traumatic Optic Neuropathy: A Review
Authors: Kumaran ArjunanMuthu , Sundar Gangadhara , Chye LimThiam
Published: November 2014

The aim of this article is to evaluate current literature on investigation and management of traumatic optic neuropathy (TON), propose recommendations for diagnosis and management, and explore novel future treatments. TON, though uncommon, causes substantial visual loss. Without clear guidelines, there is much ambiguity regarding its diagnosis and management. Investigation and treatment (conservative, medical, surgical, and combined) vary widely between centers. Electronic databases PubMed, MEDLINE, PROSPERO, CENTRAL, and EMBASE were searched for content that matched “Traumatic optic neuropathy.” Articles with abstracts and full text available, published in the past 10 years, written English and limited to human adults, were selected. All study designs were acceptable except case reports and case series with fewer 10 patients. All abstracts were then evaluated for relevance. References of these studies were evaluated and if also relevant, included. A total of 2,686 articles were retrieved and 43 examined for relevance. Of these, 23 articles were included. TON is a clinical diagnosis. Visual-evoked potential is useful in diagnosis and prognosis. Computed tomography demonstrates canal fractures and concomitant injuries. Magnetic resonance images should be reserved for select and stable patients. Conservative treatment is appropriate in mild TON. Steroids are of questionable benefit and may be harmful. Surgery should be reserved for patients with radiological evidence of compression and individualized.
The electronic structure of vanadium monochloride cation (VCl+): Tackling the complexities of transition metal species
Authors: DeYonker Nathan J. , Halfen DeWayne T. , Allen Wesley D. , Ziurys Lucy M.
Published: November 2014

Six electronic states (X 4Σ−, A 4Π, B 4Δ, 2Φ, 2Δ, 2Σ+) of the vanadium monochloride cation (VCl+) are described using large basis set coupled cluster theory. For the two lowest quartet states (X 4Σ− and A 4Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T0) and spectroscopic constants (re, r0, Be, B0, $\bar D$D¯e, He, ωe, v0, αe, ωexe) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X 4Σ−), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state (2Γ) has a Te of ∼11 200 cm−1. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.
Explicit approximations to estimate the perturbative diffusivity in the presence of convectivity and damping. III. Cylindrical approximations for heat waves traveling inwards
Authors: van Berkel M. , Tamura N. , Hogeweij G. M. D. , Zwart H. J. , Inagaki S. , de Baar M. R. , Ida K.
Published: November 2014

In this paper, a number of new explicit approximations are introduced to estimate the perturbative diffusivity (χ), convectivity (V), and damping (τ) in cylindrical geometry. For this purpose, the harmonic components of heat waves induced by localized deposition of modulated power are used. The approximations are based on the heat equation in cylindrical geometry using the symmetry (Neumann) boundary condition at the plasma center. This means that the approximations derived here should be used only to estimate transport coefficients between the plasma center and the off-axis perturbative source. If the effect of cylindrical geometry is small, it is also possible to use semi-infinite domain approximations presented in Part I and Part II of this series. A number of new approximations are derived in this part, Part III, based upon continued fractions of the modified Bessel function of the first kind and the confluent hypergeometric function of the first kind. These approximations together with the approximations based on semi-infinite domains are compared for heat waves traveling towards the center. The relative error for the different derived approximations is presented for different values of the frequency, transport coefficients, and dimensionless radius. Moreover, it is shown how combinations of different explicit formulas can be used to estimate the transport coefficients over a large parameter range for cases without convection and damping, cases with damping only, and cases with convection and damping. The relative error between the approximation and its underlying model is below 2% for the case, where only diffusivity and damping are considered. If also convectivity is considered, the diffusivity can be estimated well in a large region, but there is also a large region in which no suitable approximation is found. This paper is the third part (Part III) of a series of three papers. In Part I, the semi-infinite slab approximations have been treated. In Part II, cylindrical approximations are treated for heat waves traveling towards the plasma edge assuming a semi-infinite domain.
Ice and water droplets on graphite: A comparison of quantum and classical simulations
Authors: Ramírez Rafael , Singh Jayant K. , Müller-Plathe Florian , Böhm Michael C.
Published: November 2014

Ice and water droplets on graphite have been studied by quantum path integral and classical molecular dynamics simulations. The point-charge q-TIP4P/F potential was used to model the interaction between flexible water molecules, while the water-graphite interaction was described by a Lennard-Jones potential previously used to reproduce the macroscopic contact angle of water droplets on graphite. Several energetic and structural properties of water droplets with sizes between 102 and 103 molecules were analyzed in a temperature interval of 50–350 K. The vibrational density of states of crystalline and amorphous ice drops was correlated to the one of ice Ih to assess the influence of the droplet interface and molecular disorder on the vibrational properties. The average distance of covalent OH bonds is found 0.01 Å larger in the quantum limit than in the classical one. The OO distances are elongated by 0.03 Å in the quantum simulations at 50 K. Bond distance fluctuations are large as a consequence of the zero-point vibrations. The analysis of the H-bond network shows that the liquid droplet is more structured in the classical limit than in the quantum case. The average kinetic and potential energy of the ice and water droplets on graphite has been compared with the values of ice Ih and liquid water as a function of temperature. The droplet kinetic energy shows a temperature dependence similar to the one of liquid water, without apparent discontinuity at temperatures where the droplet is solid. However, the droplet potential energy becomes significantly larger than the one of ice or water at the same temperature. In the quantum limit, the ice droplet is more expanded than in a classical description. Liquid droplets display identical density profiles and liquid-vapor interfaces in the quantum and classical limits. The value of the contact angle is not influenced by quantum effects. Contact angles of droplets decrease as the size of the water droplet increases which implies a positive sign of the line tension of the droplet.
Rotational averaging of multiphoton absorption cross sections
Authors: Friese Daniel H. , Beerepoot Maarten T. P. , Ruud Kenneth
Published: November 2014

Rotational averaging of tensors is a crucial step in the calculation of molecular properties in isotropic media. We present a scheme for the rotational averaging of multiphoton absorption cross sections. We extend existing literature on rotational averaging to even-rank tensors of arbitrary order and derive equations that require only the number of photons as input. In particular, we derive the first explicit expressions for the rotational average of five-, six-, and seven-photon absorption cross sections. This work is one of the required steps in making the calculation of these higher-order absorption properties possible. The results can be applied to any even-rank tensor provided linearly polarized light is used.
Reactions of liquid and solid aluminum clusters with N2: The role of structure and phase in Al114+, Al115+, and Al117+
Authors: Cao Baopeng , Starace Anne K. , Judd Oscar H. , Bhattacharyya Indrani , Jarrold Martin F.
Published: November 2014

Kinetic energy thresholds have been measured for the chemisorption of N2 onto Al114+, Al115+, and Al117+ as a function of the cluster's initial temperature, from around 200 K up to around 900 K. For all three clusters there is a sharp drop in the kinetic energy threshold of 0.5–0.6 eV at around 450 K, that is correlated with the structural transition identified in heat capacity measurements. The decrease in the thresholds corresponds to an increase in the reaction rate constant, k(T) at 450 K, of around 106-fold. No significant change in the thresholds occurs when the clusters melt at around 600 K. This contrasts with behavior previously reported for smaller clusters where a substantial drop in the kinetic energy thresholds is correlated with the melting transition.
Electron states in semiconductor quantum dots
Authors: Dhayal Suman S. , Ramaniah Lavanya M. , Ruda Harry E. , Nair Selvakumar V.
Published: November 2014

In this work, the electronic structures of quantum dots (QDs) of nine direct band gap semiconductor materials belonging to the group II-VI and III-V families are investigated, within the empirical tight-binding framework, in the effective bond orbital model. This methodology is shown to accurately describe these systems, yielding, at the same time, qualitative insights into their electronic properties. Various features of the bulk band structure such as band-gaps, band curvature, and band widths around symmetry points affect the quantum confinement of electrons and holes. These effects are identified and quantified. A comparison with experimental data yields good agreement with the calculations. These theoretical results would help quantify the optical response of QDs of these materials and provide useful input for applications.
Turbulent intensity and Reynolds number effects on an airfoil at low Reynolds numbers
Authors: Wang S. , Zhou Y. , Alam Md. Mahbub , Yang H.
Published: November 2014

This work investigates the aerodynamics of a NACA 0012 airfoil at the chord-based Reynolds numbers (Rec) from 5.3 × 103 to 2.0 × 104. The lift and drag coefficients, CL and CD, of the airfoil, along with the flow structure, were measured as the turbulent intensity Tu of oncoming flow varies from 0.6% to 6.0%. The analysis of the present data and those in the literature unveils a total of eight distinct flow structures around the suction side of the airfoil. Four Rec regimes, i.e., the ultra-low (<1.0 × 104), low (1.0 × 104–3.0 × 105), moderate (3.0 × 105–5.0 × 106), and high Rec (>5.0 × 106), are proposed based on their characteristics of the CL-Rec relationship and the flow structure. It has been observed that Tu has a more pronounced effect at lower Rec than at higher Rec on the shear layer separation, reattachment, transition, and formation of the separation bubble. As a result, CL, CD, CL/CD and their dependence on the airfoil angle of attack all vary with Tu. So does the critical Reynolds number Rec,cr that divides the ultra-low and low Rec regimes. It is further noted that the effect of increasing Tu bears similarity in many aspects to that of increasing Rec, albeit with differences. The concept of the effective Reynolds number Rec,eff advocated for the moderate and high Rec regimes is re-evaluated for the low and ultra-low Rec regimes. The Rec,eff treats the non-zero Tu effect as an addition of Rec and is determined based on the presently defined Rec,cr. It has been found that all the maximum lift data from both present measurements and previous reports collapse into a single curve in the low and ultra-low Rec regimes if scaled with Rec,eff.
Near ultraviolet photodissociation spectroscopy of Mn+(H2O) and Mn+(D2O)
Authors: Pearson Wright L. , Copeland Christopher , Kocak Abdulkadir , Sallese Zachary , Metz Ricardo B.
Published: November 2014

The electronic spectra of Mn+(H2O) and Mn+(D2O) have been measured from 30 000 to 35 000 cm−1 using photodissociation spectroscopy. Transitions are observed from the 7A1 ground state in which the Mn+ is in a 3d54s1 electronic configuration, to the 7B2 (3d54py) and 7B1 (3d54px) excited states with T0 = 30 210 and 32 274 cm−1, respectively. Each electronic transition has partially resolved rotational and extensive vibrational structure with an extended progression in the metal−ligand stretch at a frequency of ∼450 cm−1. There are also progressions in the in-plane bend in the 7B2 state, due to vibronic coupling, and the out-of-plane bend in the 7B1 state, where the calculation illustrates that this state is slightly non-planar. Electronic structure computations at the CCSD(T)/aug-cc-pVTZ and TD-DFT B3LYP/6-311++G(3df,3pd) level are also used to characterize the ground and excited states, respectively. These calculations predict a ground state Mn-O bond length of 2.18 Å. Analysis of the experimentally observed vibrational intensities reveals that this bond length decreases by 0.15 ± 0.015 Å and 0.14 ± 0.01 Å in the excited states. The behavior is accounted for by the less repulsive px and py orbitals causing the Mn+ to interact more strongly with water in the excited states than the ground state. The result is a decrease in the Mn-O bond length, along with an increase in the H-O-H angle. The spectra have well resolved K rotational structure. Fitting this structure gives spin-rotation constants ɛaa″ = −3 ± 1 cm−1 for the ground state and ɛaa′ = 0.5 ± 0.5 cm−1 and εaa′ = −4.2 ± 0.7 cm−1 for the first and second excited states, respectively, and A′ = 12.8 ± 0.7 cm−1 for the first excited state. Vibrationally mediated photodissociation studies determine the O-H antisymmetric stretching frequency in the ground electronic state to be 3658 cm−1.