bluuebunny/crossref_metadata_2025 huggingface dataset:
Observation of laser-induced electronic structure in oriented polyatomic molecules
Authors: Kraus P. M. , Tolstikhin O. I. , Baykusheva D. , Rupenyan A. , Schneider J. , Bisgaard C. Z. , Morishita T. , Jensen F. , Madsen L. B. , Wörner H. J.
Published: May 2015

All attosecond time-resolved measurements have so far relied on the use of intense near-infrared laser pulses. In particular, attosecond streaking, laser-induced electron diffraction and high-harmonic generation all make use of non-perturbative light–matter interactions. Remarkably, the effect of the strong laser field on the studied sample has often been neglected in previous studies. Here we use high-harmonic spectroscopy to measure laser-induced modifications of the electronic structure of molecules. We study high-harmonic spectra of spatially oriented CH3F and CH3Br as generic examples of polar polyatomic molecules. We accurately measure intensity ratios of even and odd-harmonic orders, and of the emission from aligned and unaligned molecules. We show that these robust observables reveal a substantial modification of the molecular electronic structure by the external laser field. Our insights offer new challenges and opportunities for a range of emerging strong-field attosecond spectroscopies.
Abnormal hippocampal–thalamic white matter tract development and positive symptom course in individuals at ultra-high risk for psychosis
Authors: Bernard Jessica A , Orr Joseph M , Mittal Vijay A
Published: May 2015

Background/Objectives:

Abnormal development of the hippocampus has been reported in adolescents at ultra-high risk (UHR) for psychosis and thalamic abnormalities have been found. However, the white matter connections between the hippocampus and the thalamus have not been studied. The connections between these regions are of key importance to our understanding of the pathophysiology of psychosis.

Methods:

Twenty-six UHR and 21 healthy age-matched controls were tested at a baseline assessment and 12 months later. Symptoms were assessed at both the time points and all the participants underwent diffusion tensor imaging scans. We used tractography to trace the white matter connections in each individual between the thalamus and hippocampus and then extracted fractional anisotropy (FA) to assess white matter structural integrity.

Results:

There was a significant group by time interaction indicating that FA decreased in UHR, and increased in controls over 12 months. Across both groups, baseline FA of the thalamic–hippocampal tract was predictive of positive symptoms at 12-month follow-up. Critically, this pattern remained significant in UHR individual group alone. At baseline, those with higher FA, indicative of abnormal white matter development, show higher positive symptoms 1 year later.

Conclusions:

Here, we provide evidence to indicate that there are differences in white matter development in hippocampal–thalamic connections, both of which are important nodes in networks associated with schizophrenia. Furthermore, abnormal developmental patterns in UHR individuals are associated with positive symptom course.
Repeatability of evolution on epistatic landscapes
Authors: Bauer Benedikt , Gokhale Chaitanya S.
Published: May 2015

Evolution is a dynamic process. The two classical forces of evolution are mutation and selection. Assuming small mutation rates, evolution can be predicted based solely on the fitness differences between phenotypes. Predicting an evolutionary process under varying mutation rates as well as varying fitness is still an open question. Experimental procedures, however, do include these complexities along with fluctuating population sizes and stochastic events such as extinctions. We investigate the mutational path probabilities of systems having epistatic effects on both fitness and mutation rates using a theoretical and computational framework. In contrast to previous models, we do not limit ourselves to the typical strong selection, weak mutation (SSWM)-regime or to fixed population sizes. Rather we allow epistatic interactions to also affect mutation rates. This can lead to qualitatively non-trivial dynamics. Pathways, that are negligible in the SSWM-regime, can overcome fitness valleys and become accessible. This finding has the potential to extend the traditional predictions based on the SSWM foundation and bring us closer to what is observed in experimental systems.
Facile and Sustainable Synthesis of Shaped Iron Oxide Nanoparticles: Effect of Iron Precursor Salts on the Shapes of Iron Oxides
Authors: Sayed Farheen N. , Polshettiwar Vivek
Published: May 2015

A facile and sustainable protocol for synthesis of six different shaped iron oxides is developed. Notably, all the six shapes of iron oxides can be synthesised using exactly same synthetic protocol, by simply changing the precursor iron salts. Several of the synthesised shapes are not reported before. This novel protocol is relatively easy to implement and could contribute to overcome the challenge of obtaining various shaped iron oxides in economical and sustainable manner.
High-concentration boron doping of graphene nanoplatelets by simple thermal annealing and their supercapacitive properties
Authors: Yeom Da-Young , Jeon Woojin , Tu Nguyen Dien Kha , Yeo So Young , Lee Sang-Soo , Sung Bong June , Chang Hyejung , Lim Jung Ah , Kim Heesuk
Published: May 2015

For the utilization of graphene in various energy storage and conversion applications, it must be synthesized in bulk with reliable and controllable electrical properties. Although nitrogen-doped graphene shows a high doping efficiency, its electrical properties can be easily affected by oxygen and water impurities from the environment. We here report that boron-doped graphene nanoplatelets with desirable electrical properties can be prepared by the simultaneous reduction and boron-doping of graphene oxide (GO) at a high annealing temperature. B-doped graphene nanoplatelets prepared at 1000 °C show a maximum boron concentration of 6.04 ± 1.44 at %, which is the highest value among B-doped graphenes prepared using various methods. With well-mixed GO and g-B2O3as the dopant, highly uniform doping is achieved for potentially gram-scale production. In addition, as a proof-of-concept, highly B-doped graphene nanoplatelets were used as an electrode of an electrochemical double-layer capacitor (EDLC) and showed an excellent specific capacitance value of 448 F/g in an aqueous electrolyte without additional conductive additives. We believe that B-doped graphene nanoplatelets can also be used in other applications such as electrocatalyst and nano-electronics because of their reliable and controllable electrical properties regardless of the outer environment.
A slippery molecular assembly allows water as a self-erasable security marker
Authors: Thirumalai Rajasekaran , Mukhopadhyay Rahul Dev , Praveen Vakayil K. , Ajayaghosh Ayyappanpillai
Published: May 2015

Protection of currency and valuable documents from counterfeit continues to be a challenge. While there are many embedded security features available for document safety, they are not immune to forgery. Fluorescence is a sensitive property, which responds to external stimuli such as solvent polarity, temperature or mechanical stress, however practical use in security applications is hampered due to several reasons. Therefore, a simple and specific stimuli responsive security feature that is difficult to duplicate is of great demand. Herein we report the design of a fluorescent molecular assembly on which water behaves as a self-erasable security marker for checking the authenticity of documents at point of care. The underlying principle involves the disciplined self-assembly of a tailor-made fluorescent molecule, which initially form a weak blue fluorescence (λem = 425 nm, Φf = 0.13) and changes to cyan emission (λem = 488 nm,Φf = 0.18) in contact with water due to a reversible molecular slipping motion. This simple chemical tool, based on the principles of molecular self-assembly and fluorescence modulation, allows creation of security labels and optically masked barcodes for multiple documents authentication.
Resveratrol antibacterial activity against Escherichia coli is mediated by Z-ring formation inhibition via suppression of FtsZ expression
Authors: Hwang Dahyun , Lim Young-Hee
Published: May 2015

Resveratrol exhibits a potent antimicrobial activity. However, the mechanism underlying its antibacterial activity has not been shown. In this study, the antibacterial mechanism of resveratrol was investigated. To investigate induction of the SOS response, a strain containing the lacZ+gene under the control of an SOS-inducible sulA promoter was constructed. DNA damage was measured by pulse-field gel electrophoresis (PFGE). After resveratrol treatment, the cells were observed by confocal microscopy. For the RNA silencing assay, ftsZ-specific antisense peptide nucleic acid (PNA) was used. Reactive oxygen species (ROS) production increased in Escherichia coli after resveratrol treatment; however, cell growth was not recovered by ROS quenching, indicating that, in this experiment, ROS formation and cell death following resveratrol treatment were not directly correlated. Resveratrol treatment increased DNA fragmentation in cells, while SOS response-related gene expression levels increased in a dose-dependent manner. Cell elongation was observed after resveratrol treatment. Elongation was induced by inhibiting FtsZ, an essential cell-division protein in prokaryotes and resulted in significant inhibition of Z-ring the formation in E. coli. The expression of ftsZ mRNA was suppressed by resveratrol. Our results indicate that resveratrol inhibits bacterial cell growth by suppressing FtsZ expression and Z-ring formation.
Macro-to-micro cortical vascular imaging underlies regional differences in ischemic brain
Authors: Dziennis Suzan , Qin Jia , Shi Lei , Wang Ruikang K.
Published: May 2015

The ability to non-invasively monitor and quantify hemodynamic responses down to the capillary level is important for improved diagnosis, treatment and management of neurovascular disorders, including stroke. We developed an integrated multi-functional imaging system, in which synchronized dual wavelength laser speckle contrast imaging (DWLS) was used as a guiding tool for optical microangiography (OMAG) to test whether detailed vascular responses to experimental stroke in male mice can be evaluated with wide range sensitivity from arteries and veins down to the capillary level. DWLS enabled rapid identification of cerebral blood flow (CBF), prediction of infarct area and hemoglobin oxygenation over the whole mouse brain and was used to guide the OMAG system to hone in on depth information regarding blood volume, blood flow velocity and direction, vascular architecture, vessel diameter and capillary density pertaining to defined regions of CBF in response to ischemia. OMAG-DWLS is a novel imaging platform technology to simultaneously evaluate multiple vascular responses to ischemic injury, which can be useful in improving our understanding of vascular responses under pathologic and physiological conditions and ultimately facilitating clinical diagnosis, monitoring and therapeutic interventions of neurovascular diseases.
The role of 5-HT1A receptors in mediating acute negative effects of antidepressants: implications in pediatric depression
Authors: Rahn K A , Cao Y-J , Hendrix C W , Kaplin A I
Published: May 2015

Acute antidepressant exposure elevates the frequency of impulsive behavior and suicidal thoughts in children and adolescents with major depressive disorder (MDD). Long-term antidepressant treatment, however, is beneficial for pediatric MDD, so it is necessary to explore novel treatments that prevent the potentially dangerous consequences of acute antidepressant initiation. In the present study, a treatment strategy designed to reverse the acute negative behavioral effects of antidepressants was tested in rodents. Co-administration of the 5-HT1A receptor (5-HT1AR) antagonist WAY-100635 reversed the negative effects of acute fluoxetine, a serotonin reuptake inhibitor, but not reboxetine, a norepinephrine reuptake inhibitor, supporting the involvement of 5-HT1AR in mediating the negative consequences of acute selective serotonin reuptake inhibitor (SSRI) treatment. No 5-HT1AR antagonists are currently approved for use in pediatric populations, so alternative strategies should be explored. One such strategy was suggested based on the hypothesis that the rate of 5-HT1AR activation and the subsequent inhibition of serotonergic neuron activity caused by acute SSRI administration is proportional to the loading rate of an antidepressant. Existing pharmacological data were examined, and significant correlations were observed between the half-life of antidepressants and the rate of suicide-related events (SREs). Specifically, antidepressants with longer half-lives have lower rates of SREs. On the basis of these data, novel dosing strategies were developed for five antidepressants to mimic the pharmacological profile of the antidepressant with the longest half-life, fluoxetine. These dosing strategies could be used to decrease the rate of SREs associated with acute antidepressant treatment in pediatric MDD until an improved pharmacological treatment is developed.
Enantioselective synthesis of functionalized 3,4-disubstituted dihydro-2(1H)-quinolinones via Michael–hemiaminalization/oxidation reaction
Authors: Xia Ai-Bao , Zhang Xiao-Long , Wang Tao , Du Xiao-Hua , Xu Dan-Qian , Xu Zhen-Yuan
Published: May 2015

A new method is developed for the enantioselective synthesis of highly functionalized 3,4-disubstituted dihydro-2(1H)-quinolinones bearing two trans contiguous stereogenic centers.
Sensitive colorimetric detection of protein by gold nanoparticles and rolling circle amplification
Authors: Chen Chaohui , Luo Ming , Ye Tai , Li Ningxing , Ji Xinghu , He Zhike
Published: May 2015

A sensitive and selective colorimetric biosensor for the detection of protein, which combines gold nanoparticles and rolling circle amplification, is described.
Application of surface enhanced Raman scattering to the solution based detection of a popular legal high, 5,6-methylenedioxy-2-aminoindane (MDAI)
Authors: Mabbott Samuel , Alharbi Omar , Groves Kate , Goodacre Royston
Published: May 2015

Surface enhanced Raman scattering together with a portable Raman spectrometer is utilised as an analytical tool for the detection of ‘legal high’ MDAI contained in solution at low levels.
Synthesis of model humic substances: a mechanistic study using controllable H/D exchange and Fourier transform ion cyclotron resonance mass spectrometry
Authors: Zherebker Alexander Ya. , Airapetyan David , Konstantinov Andrey I. , Kostyukevich Yury I. , Kononikhin Alexey S. , Popov Igor A. , Zaitsev Kirill V. , Nikolaev Eugene N. , Perminova Irina V.
Published: May 2015

The exact structural formulas of model humic substances are identified using controllable H/D exchanged coupled to FTMS.
Development of a new tetrandrine certified reference material for clinical chemistry and pharmaceutical analysis
Authors: Yang Dezhi , Wang Fengfeng , Zhang Li , Lv Yang
Published: May 2015

Certified reference materials (CRMs) with good metrological characteristics are essential tools to guarantee the reliability and validity of analytical measurements.
Highly sensitive ‘naked-eye’ colorimetric detection of thiourea using gold nanoparticles
Authors: Cao Yi-Liang , Li Yan , Zhang Fei , Huo Jian-Zhong , Zhao Xiao-Jun
Published: May 2015

A non aggregation colorimetric system was developed for the fast and sensitive detection of thiourea in aqueous environments using an unlabeled gold nanoparticle probe.
Development of a multicommuted flow analysis procedure for simultaneous determination of sulfate and chloride in petroleum coke employing a homemade syringe pump and a LED-based photometer
Authors: Santos Felisberto G. , Pereira Andréia C. , Cruz Sandra M. , Bizzi Cezar A. , Flores Érico M. M. , Reis Boaventura F.
Published: May 2015

Diagram of the flow system and its working pattern.
A new preconcentration procedure to quantify total acid hydrolyzed fluoride in selected beverages and foods by spectrophotometry
Authors: Gürkan Ramazan , Altunay Nail , Korkmaz Sema
Published: May 2015

The developed method was simple, fast, inexpensive and eco-friendly with a low detection limit of 1.45 μg L−1 in the linear range of 5–360 μg L−1. The method is an alternative to expensive methods such as ET-AAS, ICP-OES, and HR-CS-MAS.
One-pot synthesis of Zn-doped SnO2nanosheet-based hierarchical architectures as a glycol gas sensor and photocatalyst
Authors: Zhao Qinqin , Deng Xiaolong , Ding Meng , Gan Lin , Zhai Tianyou , Xu Xijin
Published: May 2015

Zn-doped SnO2hierarchical architectures show high response and good selectivity to glycol and good selectivity to MB as a photocatalyst.
Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)
Authors: Wang Ai , Merkens Carina , Englert Ulli
Published: May 2015

Chiral information may be transferred from a ligand to the coordinated chromium cation. The resulting complex can be crosslinked with a Ag(i) salt to a mixed-metal polymer with well-defined configuration at the Cr(iii).
Two-dimensional structure Au nanosheets are super active for the catalytic reduction of 4-nitrophenol
Authors: Zhang Yan , Cui Zhimin , Li Lidong , Guo Lin , Yang Shihe
Published: May 2015

Two-dimensional structure Au nanosheets with controlled thicknesses of (a) ∼15 nm, (b) ∼35 nm, (c) ∼50 nm were synthesized by solution reduction method, and the reduction of 4-nitrophenol (4-NP) by UV-vis spectra of Au nanosheets with controlled thicknesses has been greatly enhanced.
Phonon-assisted energy back transfer-induced multicolor upconversion emission of Gd2O3:Yb3+/Er3+ nanoparticles under near-infrared excitation
Authors: Liu Jun , Deng Huawei , Huang Zhanyun , Zhang Yueli , Chen Dihu , Shao Yuanzhi
Published: May 2015

By harnessing the phonon-assisted energy back transfer (EBT) from Er3+ to nearby Yb3+ ions, we obtain continuous multicolor (from green to red) UC fluorescence in the Gd2O3:Yb3+/Er3+ UCNPs.
Spectroscopic studies of kinetically trapped conformations in the gas phase: the case of triply protonated bradykinin
Authors: Voronina Liudmila , Rizzo Thomas R.
Published: May 2015

We explore conformational space of triply protonated bradykinin. Three conformational families are mobility-separated and spectroscopically characterized. Kinetically trapped structures are identified via annealing.
The influence of source molecule structure on the low temperature growth of nitrogen-doped graphene
Authors: Katoh Tokio , Imamura Gaku , Obata Seiji , Bhanuchandra M. , Copley Graeme , Yorimitsu Hideki , Saiki Koichiro
Published: May 2015

Doping of heteroatoms such as nitrogen into the lattice structure of graphene can tune and tailor the overall electronic properties.
To gel or not to gel: correlating molecular gelation with solvent parameters
Authors: Lan Y. , Corradini M. G. , Weiss R. G. , Raghavan S. R. , Rogers M. A.
Published: May 2015

Solvent parameters provide an understanding into the driving forces governing SAFiN formation aiding in the quest for a universal gelator.
Sulfur imidations: access to sulfimides and sulfoximines
Authors: Bizet Vincent , Hendriks Christine M. M. , Bolm Carsten
Published: May 2015

The overview describes sulfur imidation methods providing a practical “tool box” for synthetic chemists and discusses the advantages and disadvantages associated with the use of the various imidating agents.
Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids
Authors: Li Cheng-Peng , Chen Jing , Mu Yu-Hai , Du Miao
Published: May 2015

The significant influence of the synthetic approach and halogen substituent on Zn(ii) coordination assemblies with 5-halonicotinic acids has been demonstrated.
Copper malonamide complexes and their use in azide–alkyne cycloaddition reactions
Authors: Bent S. J. , Mahon M. F. , Webster R. L.
Published: May 2015

A series of copper(i) malonamide complexes have been synthesised and their catalytic activity explored in 1,3-dipolar cycloaddition reactions: the first time this ligand motif has been reported in a catalytic transformation.
Design, synthesis and characterisation of new chimeric ruthenium(ii)–gold(i) complexes as improved cytotoxic agents
Authors: Massai Lara , Fernández-Gallardo Jacob , Guerri Annalisa , Arcangeli Annarosa , Pillozzi Serena , Contel María , Messori Luigi
Published: May 2015

This work supports the concept of multifunctional heterometallic compounds as “improved” candidate agents for cancer treatment.
Water desalination via capacitive deionization: what is it and what can we expect from it?
Authors: Suss M. E. , Porada S. , Sun X. , Biesheuvel P. M. , Yoon J. , Presser V.
Published: May 2015

Capacitive deionization (CDI) is a promising technology for water desalination that has seen tremendous advances over the past five years.
Design of a versatile interconnecting layer for highly efficient series-connected polymer tandem solar cells
Authors: Zuo Lijian , Chang Chih-Yu , Chueh Chu-Chen , Zhang Shuhua , Li Hanying , Jen Alex K.-Y. , Chen Hongzheng
Published: May 2015

A versatile interconnecting layer (ICL) based on reflective ultra-thin Ag (8–14 nm) was developed to enable the fabrication of a series-connected micro-cavity tandem polymer solar cell with a PCE up to 11% and a EQEMAXof >90%.
Prevalence of antibiotic-resistant bacteria in a lake for the storage of reclaimed water before and after usage as cooling water
Authors: Pang Yu-Chen , Xi Jin-Ying , Li Guo-Qiang , Shi Xiao-Jie , Hu Hong-Ying
Published: May 2015

Wastewater reclamation and reuse is a promising way to relieve water scarcity by substituting for natural water consumption by industrial cooling.
Catalytic allylic arylation of cinnamyl carbonates over palladium nanoparticles supported on a thermoresponsive polymer in water
Authors: Lee Yongwoo , Shabbir Saira , Lee Sinyoung , Ahn Hyunsoek , Rhee Hakjune
Published: May 2015

Palladium nanoparticles were supported on a thermoresponsive polymer and used as catalysts for the allylic arylation of cinnamyl carbonates in water.
Fast and efficient extraction of DNA from meat and meat derived products using aqueous ionic liquid buffer systems
Authors: Ressmann Anna K. , García Eric González , Khlan Diana , Gaertner Peter , Mach Robert L. , Krska Rudolf , Brunner Kurt , Bica Katharina
Published: May 2015

We present a fast and efficient strategy for DNA extraction from meat based on aqueous-ionic liquid systems that could extract DNA in significantly higher yields compared to the pure phosphate buffer.
Enhanced electrochromic switching speed and electrochemical stability of conducting polymer film on an ionic liquid functionalized ITO electrode
Authors: Ouyang Mi , Yang Yuan , Lv Xiaojing , Han Yangang , Huang Senbiao , Dai Yuyu , Su Chang , Lv Yaokang , Sumita Masao , Zhang Cheng
Published: May 2015

The EC material exhibits faster switching speed and better electrochemical stability when incorporated with [BMIM]BF4 ionic liquid.
Enabling low amounts of YAG:Ce3+to convert blue into white light with plasmonic Au nanoparticles
Authors: Hussain Talib , Zhong Liubiao , Danesh Mohammad , Ye Huiqi , Liang Ziqiang , Xiao Dong , Qiu Cheng-Wei , Lou Chaogang , Chi Lifeng , Jiang Lin
Published: May 2015

Effective downconversion of blue light into white light with a low amount of YAG:Ce3+phosphor was achieved by direct modification with plasmonic Au nanoparticles, greatly improving the conversion efficiency of YAG:Ce3+in WLEDs.
Supramolecular fabrication of multilevel graphene-based gas sensors with high NO2 sensibility
Authors: Chen Zhuo , Umar Ahmad , Wang Shiwei , Wang Yao , Tian Tong , Shang Ying , Fan Yuzun , Qi Qi , Xu Dongmei , Jiang Lei
Published: May 2015

This work reports the supramolecular assembly of a silver nanoparticle-naphthalene-1-sulphonic acid-reduced graphene oxide (Ag-NA-rGO) composite and its utilization to fabricate a highly sensitive and selective gas sensor.
Nanostructured porous manganese carbonate spheres with capacitive effects on the high lithium storage capability
Authors: Kang Wenpei , Yu Denis Yau Wai , Li Wenyue , Zhang Zhenyu , Yang Xia , Ng Tsz-Wai , Zou Rujia , Tang Yongbing , Zhang Wenjun , Lee Chun-Sing
Published: May 2015

Porous MnCO3 spheres as the anode material for lithium ion batteries can deliver high and stable capabilities even at quite high current densities due to the high capacitive contribution.
Tandem rhodium catalysis: exploiting sulfoxides for asymmetric transition-metal catalysis
Authors: Kou K. G. M. , Dong V. M.
Published: May 2015

Sulfoxides are uncommon substrates for transition-metal catalysis due to their propensity to inhibit catalyst turnover. We have developed the first DKR of racemic allylic sulfoxides where rhodium catalyzed both sulfoxide epimerization and alkene hydrogenation.
Molecular design and synthesis of a pH independent and cell permeant fluorescent dye and its applications
Authors: Jiao Xiaojie , Liu Chang , Huang Kun , Zhang Siwen , He Song , Zhao Liancheng , Zeng Xianshun
Published: May 2015

A novel xanthene fluorescent dye with a combination of the desirable characters for fluorescent chemosensors and biomarkers including low molecular weight, water solubility, cell permeability, good biocompatibility, and strong tolerance to pH has been designed and synthesized.
Lignocellulosic biomass: a sustainable platform for the production of bio-based chemicals and polymers
Authors: Isikgor Furkan H. , Becer C. Remzi
Published: May 2015

The ongoing research activities in the field of lignocellulosic biomass for production of value-added chemicals and polymers that can be utilized to replace petroleum-based materials are reviewed.
Catalytic asymmetric synthesis of polysubstituted spirocyclopropyl oxindoles: organocatalysis versus transition metal catalysis
Authors: Cao Zhong-Yan , Zhou Jian
Published: May 2015

Recent progress in catalytic asymmetric synthesis of spirocyclopropyl oxindolesviaorganocatalysis and transition metal catalysis are summarized and discussed.
2,5-Diaryl-1,3,4-oxadiazoles as selective COX-2 inhibitors and anti-inflammatory agents
Authors: Grover Jagdeep , Bhatt Nirav , Kumar Vivek , Patel Neeraj K. , Gondaliya Bhagirath J. , Elizabeth Sobhia M. , Bhutani Kamlesh K. , Jachak Sanjay M.
Published: May 2015

A new series of compounds comprising of 2,5-diaryl-1,3,4-oxadiazoles was synthesized and evaluated as potential COX-2 inhibitors.
Lanthanum breaks the balance between osteogenesis and adipogenesis of mesenchymal stem cells through phosphorylation of Smad1/5/8
Authors: Liu Dandan , Ge Kun , Sun Jing , Chen Shizhu , Jia Guang , Zhang Jinchao
Published: May 2015

La breaks the balance between osteogenesis and adipogenesis of MSCs through phosphorylating Smad1/5/8 to activate the BMP signaling pathway.
Performance comparison of immobilized enzyme on the titanate nanotube surfaces modified by poly(dopamine) and poly(norepinephrine)
Authors: Yang Dong , Wang Xueyan , Ai Qinghong , Shi Jiafu , Jiang Zhongyi
Published: May 2015

In this study, the performance of immobilized enzyme on the titanate nanotube surfaces modified by poly(dopamine) and poly(norepinephrine) are specifically compared.
The monitoring of coating health by in situ luminescent layers
Authors: He Y. , Wang S. C. , Walsh F. C. , Li W. S. , He L. , Reed P. A. S.
Published: May 2015

The work is to develop a sensing system based on luminescent coatings in order to monitor deterioration during service.
Amorphous calcium phosphate nanowires prepared using beta-glycerophosphate disodium salt as an organic phosphate source by a microwave-assisted hydrothermal method and adsorption of heavy metals in water treatment
Authors: Ding Guan-Jun , Zhu Ying-Jie , Qi Chao , Sun Tuan-Wei , Wu Jin , Chen Feng
Published: May 2015

Amorphous calcium phosphate nanowires were prepared using β-glycerophosphate disodium salt as the phosphate source by a microwave-assisted hydrothermal method.
Biodegradable polylactide based materials with improved crystallinity, mechanical properties and rheological behaviour by introducing a long-chain branched copolymer
Authors: Liu Ming-Jing , Chen Si-Chong , Yang Ke-Ke , Wang Yu-Zhong
Published: May 2015

Herein we developed a novel strategy for preparing biodegradable PLA based materials with improved crystallinity, mechanical properties and rheological behaviour by introducing a long-chain branched block copolymer of PLA and PCL.
A highly active based graphene cathode for the electro-fenton reaction
Authors: Le Thi Xuan Huong , Bechelany Mikhael , Champavert Joffrey , Cretin Marc
Published: May 2015

rGO produced by exfoliation of graphite was electrochemically deposited on Carbon Felt (CF) to enhance the rate decomposition of a dye compound by the electro-Fenton reaction.
Ag2S sensitized mesoporous Bi2WO6 architectures with enhanced visible light photocatalytic activity and recycling properties
Authors: Mehraj Owais , Pirzada Bilal M. , Mir Niyaz A. , Sultana Saima , Sabir Suhail
Published: May 2015

To harvest solar energy more efficiently, novel Ag2S/Bi2WO6 heterojunctions were synthesized by a hydrothermal route.
A consensus subunit-specific model for annotation of substrate specificity for ABC transporters
Authors: Hu Yayun , Guo Yanzhi , Shi Yinan , Li Menglong , Pu Xuemei
Published: May 2015

A consensus classification model was built by considering three subunit proteins individually to predict the substrate specificity of ABC transporters.
Unusual hierarchical structures of micro-injection molded isotactic polypropylene in presence of an in situ microfibrillar network and a β-nucleating agent
Authors: Zhao Zhongguo , Yang Qi , Kong Miqiu , Tang Dahang , Chen Qianying , Liu Ying , Lou Fangli , Huang Yajiang , Liao Xia
Published: May 2015

The morphological development of iPP in presence of an in situ microfibrillar network and a β-nucleating agent under micro-injection molding.
Structure, morphology and catalytic properties of pure and alloyed Au–ZnO hierarchical nanostructures
Authors: Cargnello M. , Sala D. , Chen C. , D'Arienzo M. , Gorte R. J. , Murray C. B.
Published: May 2015

A novel preparation of Au@ZnO and Au/Cd–ZnO structures is reported.
Synthesis, characterisation and enhanced electrochemical performance of nanostructured Na2FePO4F for sodium batteries
Authors: Law Markas , Ramar Vishwanathan , Balaya Palani
Published: May 2015

Nanostructured Na2FePO4F was synthesised by a soft template method, followed by high-energy ball milling (HEBM) and post-heat treatment. The HEBM sample shows excellent sodium storage performance with a discharge capacity of 116 mA h g−1at 0.1 C.
Adjustable plasmonic optical properties of hollow gold nanospheres monolayers and LSPR-dependent surface-enhanced Raman scattering of hollow gold nanosphere/graphene oxide hybrids
Authors: Gong Xue , Tang Jian , Ji Yixin , Wu Bingbing , Wu Huaping , Liu Aiping
Published: May 2015

Colloidal hollow gold nanospheres with adjustable localized surface plasmon resonance (LSPR) properties were synthesized and self-assembled into HGNs monolayers for investigation of LSPR-dependent surface enhanced Raman scattering (SERS) behavior.
A simple and effective “capping” approach to readily tune the fluorescence of near-infrared cyanines
Authors: He Longwei , Lin Weiying , Xu Qiuyan , Ren Mingguang , Wei Haipeng , Wang Jian-Yong
Published: May 2015

A simple and effective capping approach was introduced to readily tune the fluorescence of NIR cyanines.
Simple electrochemical sensing of attomolar proteins using fabricated complexes with enhanced surface binding avidity
Authors: Li Chao , Li Xiaoxi , Wei Luming , Liu Muyun , Chen Yangyang , Li Genxi
Published: May 2015

Target molecules selectively equipped with proximity probes can autonomously cleave substrates on the electrode surface, allowing quantification of proteins at attomolar concentrations with one-step incubation.
Tailored polymeric membranes for Mycobacterium smegmatis porin A (MspA) based biosensors
Authors: Morton Danielle , Mortezaei Shahab , Yemenicioglu Sukru , Isaacman Michael J. , Nova Ian C. , Gundlach Jens H. , Theogarajan Luke
Published: May 2015

We show that protein specific tailoring of membrane forming ABA polymers is necessary for optimal pore-based biosensor performance.
Symmetric naphthalenediimidequaterthiophenes for electropolymerized electrochromic thin films
Authors: Figà V. , Chiappara C. , Ferrante F. , Casaletto M. P. , Principato F. , Cataldo S. , Chen Z. , Usta H. , Facchetti A. , Pignataro B.
Published: May 2015

Novel electropolymerized copolymers with a controlled donor/acceptor ratio obtained from symmetric naphthalenediimidequaterthiophene showed prominent physico-chemical properties and high coloration efficiency in electrochromic devices.
Fabrication of gold and silver hierarchically micro/nanostructured arrays by localized electrocrystallization for application as SERS substrates
Authors: Wang Jingjing , Duan Guotao , Liu Guangqiang , Li Yue , Xu Lei , Cai Weiping
Published: May 2015

A method based on a polypyrrole through-pore template induced by the colloidal monolayer is developed to fabricate gold and silver hierarchically micro/nanostructured arrays.
Effects of temperature and ambient pressure on the resistive switching behaviour of polymer-based atomic switches
Authors: Mohapatra Saumya R. , Tsuruoka Tohru , Krishnan Karthik , Hasegawa Tsuyoshi , Aono Masakazu
Published: May 2015

Effects of temperature and ambient pressure on the resistive switching behavior of electrochemical ‘atomic switches’ based on pure PEO and Ag-doped PEO were investigated.
A cubic map chaos criterion theorem with applications in generalized synchronization based pseudorandom number generator and image encryption
Authors: Yang Xiuping , Min Lequan , Wang Xue
Published: May 2015

This paper sets up a chaos criterion theorem on a kind of cubic polynomial discrete maps. Using this theorem, Zhou-Song's chaos criterion theorem on quadratic polynomial discrete maps and generalized synchronization (GS) theorem construct an eight-dimensional chaotic GS system. Numerical simulations have been carried out to verify the effectiveness of theoretical results. The chaotic GS system is used to design a chaos-based pseudorandom number generator (CPRNG). Using FIPS 140-2 test suit/Generalized FIPS 140-2, test suit tests the randomness of two 1000 key streams consisting of 20 000 bits generated by the CPRNG, respectively. The results show that there are 99.9%/98.5% key streams to have passed the FIPS 140-2 test suit/Generalized FIPS 140-2 test. Numerical simulations show that the different keystreams have an average 50.001% same codes. The key space of the CPRNG is larger than 21345. As an application of the CPRNG, this study gives an image encryption example. Experimental results show that the linear coefficients between the plaintext and the ciphertext and the decrypted ciphertexts via the 100 key streams with perturbed keys are less than 0.00428. The result suggests that the decrypted texts via the keystreams generated via perturbed keys of the CPRNG are almost completely independent on the original image text, and brute attacks are needed to break the cryptographic system.
Suppressing magneto-mechanical vibrations and noise in magnetostriction variation for three-phase power transformers
Authors: Hsu Chang-Hung , Liu Jui-Jung , Fu Chao-Ming , Huang Yi-Mei , Chang Chia-Wen , Cheng Shan-Jen
Published: May 2015

This study investigated the effect of magnetostriction-induced core magnetomechanical vibrations and noise on the magnetic properties of power transformers. The magnetostriction of grain-oriented Si steels was found to be extremely sensitive to compressive stress applied along the rolling direction and to tensile stress applied along the transverse direction. The compressive stress increased the variation in the magnitude of magnetostriction, which is correlated with core vibration and noise. A 2D model of the power transformer was used to simulate the noise and vibration variables through a finite element analysis.
Photodissociation resonances of jet-cooled NO2 at the dissociation threshold by CW-CRDS
Authors: Dupré Patrick
Published: May 2015

Around 398 nm, the jet-cooled-spectrum of NO2 exhibits a well identified dissociation threshold (D0). Combining the continuous-wave absorption-based cavity ringdown spectroscopy technique and laser induced fluorescence detection, an energy range of ∼25 cm−1 is analyzed at high resolution around D0. In addition to the usual molecular transitions to long-lived energy levels, ∼115 wider resonances are observed. The position, amplitude, and width of these resonances are determined. The resonance width spreads from ∼0.006 cm−1 (i.e., ∼450 ps) to ∼0.7 cm−1 (∼4 ps) with large fluctuations. The identification of at least two ranges of resonance width versus the excess energy can be associated with the opening of the dissociation channels NO2→NOX 2Π1/2, v=0, J=1/2+O3P2 and NO2→NOX 2Π1/2, v=0, J=3/2+O3P2. This analysis corroborates the existence of loose transition states close to the dissociation threshold as reported previously and in agreement with the phase space theory predictions as shown by Tsuchiya’s group [Miyawaki et al., J. Chem. Phys. 99, 254–264 (1993)]. The data are analyzed in the light of previously reported frequency- and time-resolved data to provide a robust determination of averaged unimolecular dissociation rate coefficients. The density of reactant levels deduced (ρreac ∼ 11 levels/cm−1) is discussed versus the density of transitions, the density of resonances, and the density of vibronic levels.
Surfactant assisted synthesis of aluminum doped SrFe10Al2O19 hexagonal ferrite
Authors: Neupane D. , Wang L. , Mishra S. R. , Poudyal N. , Liu J. P.
Published: May 2015

M-type aluminum doped SrFe10Al2O19 were synthesized via co-precipitation method using cetyltrimethyl ammonium bromide (CTAB) as a surfactant. The effects of CTAB content (x = 0, 1, 3, and 9 wt. %) on the formation, structure, morphology, magnetic, and dielectric properties of the SrFe10Al2O19 nanoparticles were investigated. X-ray diffraction results show elimination of α-Fe2O3 phase from samples prepared using CTAB. Morphological changes including grain and crystallite size was noticed with the increase in the CTAB content. With the increase in CTAB, powder particles grew in hexagonal plates. A linear increase in saturation magnetization, Ms, with CTAB content was observed from 56.5 emu/g at 0% CTAB to 66.4 emu/g at 9% CTAB. This is a net increase of 17.5% in Ms. The coercivity (Hc ∼ 5700 Oe) of sample reached maximum at 1% CTAB and reduced with further CTAB content reaching to a minimum value of 4488 Oe at 9% CTAB. A slight increase in Curie temperature (735 K) was also observed for samples synthesized using CTAB as compared to that of sample prepared in the absence of CTAB (729 K). Samples synthesized with CTAB show higher dielectric constants as compared to samples prepared without CTAB, while dielectric constant for all samples show decrease in value with the increase in frequency. These results imply that CTAB may act as a crystallization master, controlling the nucleation and growth of SrFe10Al2O19 crystal. The study delineates the scope of improving magnetic properties of ferrites without substitution of metal ions.
Spin accumulation in Si channels using CoFe/MgO/Si and CoFe/AlOx/Si tunnel contacts with high quality tunnel barriers prepared by radical-oxygen annealing
Authors: Akushichi T. , Takamura Y. , Shuto Y. , Sugahara S.
Published: May 2015

We investigate spin injection into Si channels using three-terminal spin-accumulation (3T-SA) devices with high-quality CoFe/MgO/n-Si and CoFe/AlOx/n-Si tunnel spin-injectors whose tunnel barriers are formed by radical oxidation of Mg and Al thin films deposited on Si(100) substrates and successive annealing under radical-oxygen exposure. When the MgO and AlOx barriers are not treated by the radical-oxygen annealing, the Hanle-effect signals obtained from the 3T-SA devices are closely fitted by a single Lorentz function representing a signal due to trap spins. On the other hand, when the tunnel barriers are annealed under radical-oxygen exposure, the Hanle-effect signals can be accurately fitted by the superposition of a Lorentz function and a non-Lorentz function representing a signal due to accumulated spins in the Si channel. These results suggest that the quality improvement of tunnel barriers treated by radical-oxygen annealing is highly effective for spin-injection into Si channels.
High-order sampling schemes for path integrals and Gaussian chain simulations of polymers
Authors: Müser Martin H. , Müller Marcus
Published: May 2015

In this work, we demonstrate that path-integral schemes, derived in the context of many-body quantum systems, benefit the simulation of Gaussian chains representing polymers. Specifically, we show how to decrease discretization corrections with little extra computation from the usual O(1/P2) to O(1/P4), where P is the number of beads representing the chains. As a consequence, high-order integrators necessitate much smaller P than those commonly used. Particular emphasis is placed on the questions of how to maintain this rate of convergence for open polymers and for polymers confined by a hard wall as well as how to ensure efficient sampling. The advantages of the high-order sampling schemes are illustrated by studying the surface tension of a polymer melt and the interface tension in a binary homopolymers blend.
The effects of a submerged non-erodible triangular obstacle on bottom propagating gravity currents
Authors: Tokyay Talia , Constantinescu George
Published: May 2015

The flow induced by a compositional (e.g., temperature or salinity driven) gravity current propagating over a fixed non-erodible triangular bottom-mounted obstacle is investigated based on 3-D large eddy simulations. The paper discusses how the flow physics (e.g., type and characteristics of the reflected bore, dynamics of flow instabilities affecting mixing, and turbulence structure) and main flow variables (e.g., the proportion of the flow advected over the obstacle, the height of the reflected flow and speed of the reflected bore, the height of the lower layer and front speed of the current downstream of the obstacle, and the drag force) change as a function of the incoming gravity current type (lock-exchange vs constant-flux), relative obstacle height, and Reynolds number. A particular focus is on the flow structure during the two possible quasi-steady regimes that can occur in such flows. The predictive capabilities of shallow flow theory models to estimate the main flow parameters during these two regimes are investigated. An analytical model is proposed to estimate the mean streamwise drag force on the obstacle during the two regimes. Finally, the bed friction velocity distributions are used to identify regions where significant erosion will occur in the case of a loose surface.
A slow neutron polarimeter for the measurement of parity-odd neutron rotary power
Authors: Snow W. M. , Anderson E. , Barrón-Palos L. , Bass C. D. , Bass T. D. , Crawford B. E. , Crawford C. , Dawkins J. M. , Esposito D. , Fry J. , Gardiner H. , Gan K. , Haddock C. , Heckel B. R. , Holley A. T. , Horton J. C. , Huffer C. , Lieffers J. , Luo D. , Maldonado-Velázquez M. , Markoff D. M. , Micherdzinska A. M. , Mumm H. P. , Nico J. S. , Sarsour M. , Santra S. , Sharapov E. I. , Swanson H. E. , Walbridge S. B. , Zhumabekova V.
Published: May 2015

We present the design, description, calibration procedure, and an analysis of systematic effects for an apparatus designed to measure the rotation of the plane of polarization of a transversely polarized slow neutron beam as it passes through unpolarized matter. This device is the neutron optical equivalent of a crossed polarizer/analyzer pair familiar from light optics. This apparatus has been used to search for parity violation in the interaction of polarized slow neutrons in matter. Given the brightness of existing slow neutron sources, this apparatus is capable of measuring a neutron rotary power of dϕ/dz = 1 × 10−7 rad/m.
High efficiency positron accumulation for high-precision magnetic moment experiments
Authors: Fogwell Hoogerheide S. , Dorr J. C. , Novitski E. , Gabrielse G.
Published: May 2015

Positrons are accumulated within a Penning trap designed to make more precise measurements of the positron and electron magnetic moments. The retractable radioactive source used is weak enough to require no license for handling radioactive material, and the radiation dosage 1 m from the source gives an exposure several times smaller than the average radiation dose on the earth’s surface. The 100 mK trap is mechanically aligned with the 4.2 K superconducting solenoid that produces a 6 T magnetic trapping field with a direct mechanical coupling.
Direct non-Born-Oppenheimer variational calculations of all bound vibrational states corresponding to the first rotational excitation of D2 performed with explicitly correlated all-particle Gaussian functions
Authors: Sharkey Keeper L. , Kirnosov Nikita , Adamowicz Ludwik
Published: May 2015

Direct variational calculations where the Born-Oppenheimer approximation is not assumed are done for all rovibrational states of the D2 molecule corresponding to first excited rotational level (the N = 1 states). All-particle explicitly correlated Gaussian basis functions are used in the calculations. The exponential parameters of the Gaussians are optimized with the aid of analytically calculated energy gradient determined with respect to these parameters. The results allow to determine the ortho-para spin isomerization energies as a function of the vibrational quantum number.
Influence of structural disorder on soft x-ray optical behavior of NbC thin films
Authors: Singh Amol , Modi Mohammed H. , Rajput Parasmani , Sinha A. K. , Lodha G. S.
Published: May 2015

Structural and chemical properties of compound materials are modified, when thin films are formed from bulk materials. To understand these changes, a study was pursued on niobium carbide (NbC) thin films of different thicknesses deposited on Si (100) substrate using ion beam sputtering technique. Optical response of the film was measured in 4–36 nm wavelength region using Indus-1 reflectivity beamline. A discrepancy in soft x-ray performance of NbC film was observed which could not be explained with Henke's tabulated data (see http://henke.lbl.gov/optical_constants/). In order to understand this, detailed structural and chemical investigations were carried out using x-ray reflectivity, grazing incidence x-ray diffraction, x-ray absorption near edge structure, extended x-ray absorption fine structure, and x-ray photoelectron spectroscopy techniques. It was found that the presence of unreacted carbon and Nb deficiency due to reduced Nb-Nb coordination are responsible for lower soft x-ray reflectivity performance. NbC is an important material for soft x-ray optical devices, hence the structural disorder need to be controlled to achieve the best performances.