bluuebunny/crossref_metadata_2025 huggingface dataset:
Correction: Corrigendum: The proteasome deubiquitinase inhibitor VLX1570 shows selectivity for ubiquitin-specific protease-14 and induces apoptosis of multiple myeloma cells
Authors: Wang Xin , Mazurkiewicz Magdalena , Hillert Ellin-Kristina , Olofsson Maria Hägg , Pierrou Stefan , Hillertz Per , Gullbo Joachim , Selvaraju Karthik , Paulus Aneel , Akhtar Sharoon , Bossler Felicitas , Khan Asher Chanan , Linder Stig , D’Arcy Padraig
Published: July 2016

Scientific Reports 6: Article number: 26979; published online: 06 June 2016; updated: 29 July 2016 The Acknowledgements section in this Article is incomplete: “We are grateful to Hans Rosén and Per Hagmar (Vivolux AB) for discussions and study support and to Marina Ciomei (Accelera, Nerviano, Italy)for performance of animal studies.
Liquid-solid joining of bulk metallic glasses
Authors: Huang Yongjiang , Xue Peng , Guo Shu , Wu Yang , Cheng Xiang , Fan Hongbo , Ning Zhiliang , Cao Fuyang , Xing Dawei , Sun Jianfei , Liaw Peter K.
Published: July 2016

Here, we successfully welded two bulk metallic glass (BMG) materials, Zr51Ti5Ni10Cu25Al9 and Zr50.7Cu28Ni9Al12.3 (at. %), using a liquid-solid joining process. An atomic-scale metallurgical bonding between two BMGs can be achieved. The interface has a transition layer of ~50 μm thick. The liquid-solid joining of BMGs can shed more insights on overcoming their size limitation resulting from their limited glass-forming ability and then promoting their applications in structural components.
Nitric oxide promotes epidermal stem cell migration via cGMP-Rho GTPase signalling
Authors: Zhan Rixing , He Weifeng , Wang Fan , Yao Zhihui , Tan Jianglin , Xu Rui , Zhou Junyi , Wang Yuzhen , Li Haisheng , Wu Jun , LUO Gaoxing
Published: July 2016

The migration and reepithelization of epidermal stem cells (ESCs) are the most critical processes in wound healing. The gaseous messenger nitric oxide (NO) has multiple biological effects, but its actions on ESCs are poorly understood. In this study, an NO donor, S-nitroso-N-acetylpenicillamine (SNAP), was found to facilitate the in vitro migration of human ESCs (huESCs) in both live-imaging and scratch models. In addition, pull-down assays demonstrated that SNAP could activate the small GTPases RhoA and Rac1 of the Rho family, but not Cdc42. Moreover, the effects of SNAP on the migration and F-actin polymerization of ESCs could be blocked by inhibitors of cGMP, PKG, RhoA or Rac1, and by a specific siRNA of RhoA or Rac1, but not by a Cdc42 inhibitor or siRNA. Furthermore, the roles of NO in ESC migration via cGMP-Rho GTPase signalling in vivo were confirmed by tracing 5-bromo-2-deoxyuridine (BrdU)-labelled cells in a superficial, partial-thickness scald mouse model. Thus, the present study demonstrated that the NO donor SNAP could promote huESC migration in vitro. Furthermore, NO was found to induce ESC migration via cGMP-Rho GTPase RhoA and Rac1 signalling, but not Cdc42 signalling, both in vivo and in vitro.
Increased Risk of Peptic Ulcers Following a Cholecystectomy for Gallstones
Authors: Tsai Ming-Chieh , Huang Chung-Chien , Kao Li-Ting , Lin Herng-Ching , Lee Cha-Ze
Published: July 2016

This retrospective cohort study examined the relationship between a cholecystectomy and the subsequent risk of peptic ulcers using a population-based database. Data for this study were retrieved from the Taiwan Longitudinal Health Insurance Database 2005. This study included 5209 patients who had undergone a cholecystectomy for gallstones and 15,627 sex- and age-matched comparison patients. We individually tracked each patient for a 5-year period to identify those who subsequently received a diagnosis of peptic ulcers. We found that of the 20,836 sampled patients, 2033 patients (9.76%) received a diagnosis of peptic ulcers during the 5-year follow-up period: 674 from the study group (12.94% of the patients who underwent a cholecystectomy) and 1359 from the comparison group (8.70% of the comparison patients). The stratified Cox proportional hazard regressions showed that the adjusted hazard ratio (HR) for peptic ulcers during the 5-year follow-up period was 1.48 (95% CI = 1.34~1.64) for patients who underwent a cholecystectomy than comparison patients. Furthermore, the adjusted HRs of gastric ulcers and duodenal ulcers during the 5-year follow-up period were 1.70 and 1.71, respectively, for patients who underwent a cholecystectomy compared to comparison patients. This study demonstrated a relationship between a cholecystectomy and a subsequent diagnosis of peptic ulcers.
Mixed Matrix Carbon Molecular Sieve and Alumina (CMS-Al2O3) Membranes
Authors: Song Yingjun , Wang David K. , Birkett Greg , Martens Wayde , Duke Mikel C. , Smart Simon , Diniz da Costa João C.
Published: July 2016

This work shows mixed matrix inorganic membranes prepared by the vacuum-assisted impregnation method, where phenolic resin precursors filled the pore of α-alumina substrates. Upon carbonisation, the phenolic resin decomposed into several fragments derived from the backbone of the resin matrix. The final stages of decomposition (>650 °C) led to a formation of carbon molecular sieve (CMS) structures, reaching the lowest average pore sizes of ~5 Å at carbonisation temperatures of 700 °C. The combination of vacuum-assisted impregnation and carbonisation led to the formation of mixed matrix of CMS and α-alumina particles (CMS-Al2O3) in a single membrane. These membranes were tested for pervaporative desalination and gave very high water fluxes of up to 25 kg m−2 h−1 for seawater (NaCl 3.5 wt%) at 75 °C. Salt rejection was also very high varying between 93–99% depending on temperature and feed salt concentration. Interestingly, the water fluxes remained almost constant and were not affected as feed salt concentration increased from 0.3, 1 and 3.5 wt%.
Olig2 regulates Purkinje cell generation in the early developing mouse cerebellum
Authors: Ju Jun , Liu Qian , Zhang Yang , Liu Yuanxiu , Jiang Mei , Zhang Liguo , He Xuelian , Peng Chenchen , Zheng Tao , Lu Q. Richard , Li Hedong
Published: July 2016

The oligodendrocyte transcription factor Olig2 plays a crucial role in the neurogenesis of both spinal cord and brain. In the cerebellum, deletion of both Olig2 and Olig1 results in impaired genesis of Purkinje cells (PCs) and Pax2+ interneurons. Here, we perform an independent study to show that Olig2 protein is transiently expressed in the cerebellar ventricular zone (VZ) during a period when PCs are specified. Further analyses demonstrate that Olig2 is expressed in both cerebellar VZ progenitors and early-born neurons. In addition, unlike in the ganglionic eminence of the embryonic forebrain where Olig2 is mostly expressed in proliferating progenitors, Olig2+ cells in the cerebellar VZ are in the process of leaving the cell cycle and differentiating into postmitotic neurons. Functionally, deletion of Olig2 alone results in a preferential reduction of PCs in the cerebellum, which is likely mediated by decreased neuronal generation from their cerebellar VZ progenitors. Furthermore, our long-term lineage tracing experiments show that cerebellar Olig gene-expressing progenitors produce PCs but rarely Pax2+ interneurons in the developing cerebellum, which opposes the “temporal identity transition” model of the cerebellar VZ progenitors stating that majority of Pax2+ interneuron progenitors are transitioned from Olig2+ PC progenitors.
Novel combination of sorafenib and biochanin-A synergistically enhances the anti-proliferative and pro-apoptotic effects on hepatocellular carcinoma cells
Authors: Youssef Mohieldin M. , Tolba Mai F. , Badawy Noha N. , Liu Andrew W. , El-Ahwany Eman , Khalifa Amani E. , Zada Suher , Abdel-Naim Ashraf B.
Published: July 2016

Sorafenib (SOR) is the first-line treatment for hepatocellular carcinoma (HCC). However, its use is hindered by the recently expressed safety concerns. One approach for reducing SOR toxicity is to use lower doses in combination with other less toxic agents. Biochanin-A (Bio-A), a promising isoflavone, showed selective toxicity to liver cancer cells. We postulated that combining SOR and Bio-A could be synergistically toxic towards HCC cells. We further evaluated the underlying mechanism. Cytotoxicity assay was performed to determine the IC50 of Bio-A and SOR in HepG2, SNU-449 and Huh-7 cells. Then, combination index in HepG2 was evaluated using Calcusyn showing that the concurrent treatment with lower concentrations of SOR and Bio-A synergistically inhibited cell growth. Our combination induced significant arrest in pre-G and G0/G1 cell cycle phases and decrease in cyclin D1 protein level. Concomitantly, SOR/Bio-A reduced Bcl-2/Bax ratio. Furthermore, this co-treatment significantly increased caspase-3 & -9 apoptotic markers, while decreased anti-apoptotic and proliferative markers; survivin and Ki-67, respectively. Active caspase-3 in HepG2, SNU-449 and Huh-7 confirmed our synergism hypothesis. This study introduces a novel combination, where Bio-A synergistically enhanced the anti-proliferative and apoptotic effects of SOR in HCC cells, which could serve as a potential effective regimen for treatment.
Genomic analysis of three Bifidobacterium species isolated from the calf gastrointestinal tract
Authors: Kelly William J. , Cookson Adrian L. , Altermann Eric , Lambie Suzanne C. , Perry Rechelle , Teh Koon Hoong , Otter Don E. , Shapiro Nicole , Woyke Tanja , Leahy Sinead C.
Published: July 2016

Ruminant animals contribute significantly to the global value of agriculture and rely on a complex microbial community for efficient digestion. However, little is known of how this microbial-host relationship develops and is maintained. To begin to address this, we have determined the ability of three Bifidobacterium species isolated from the faeces of newborn calves to grow on carbohydrates typical of a newborn ruminant diet. Genome sequences have been determined for these bacteria with analysis of the genomes providing insights into the host association and identification of several genes that may mediate interactions with the ruminant gastrointestinal tract. The present study provides a starting point from which we can define the role of potential beneficial microbes in the nutrition of young ruminants and begin to influence the interactions between the microbiota and the host. The differences observed in genomic content hint at niche partitioning among the bifidobacterial species analysed and the different strategies they employ to successfully adapt to this habitat.
Optimally controlling the human connectome: the role of network topology
Authors: Betzel Richard F. , Gu Shi , Medaglia John D. , Pasqualetti Fabio , Bassett Danielle S.
Published: July 2016

To meet ongoing cognitive demands, the human brain must seamlessly transition from one brain state to another, in the process drawing on different cognitive systems. How does the brain’s network of anatomical connections help facilitate such transitions? Which features of this network contribute to making one transition easy and another transition difficult? Here, we address these questions using network control theory. We calculate the optimal input signals to drive the brain to and from states dominated by different cognitive systems. The input signals allow us to assess the contributions made by different brain regions. We show that such contributions, which we measure as energy, are correlated with regions’ weighted degrees. We also show that the network communicability, a measure of direct and indirect connectedness between brain regions, predicts the extent to which brain regions compensate when input to another region is suppressed. Finally, we identify optimal states in which the brain should start (and finish) in order to minimize transition energy. We show that the optimal target states display high activity in hub regions, implicating the brain’s rich club. Furthermore, when rich club organization is destroyed, the energy cost associated with state transitions increases significantly, demonstrating that it is the richness of brain regions that makes them ideal targets.
A phospholipid transfer function of ER-mitochondria encounter structure revealed in vitro
Authors: Kojima Rieko , Endo Toshiya , Tamura Yasushi
Published: July 2016

As phospholipids are synthesized mainly in the endoplasmic reticulum (ER) and mitochondrial inner membranes, how cells properly distribute specific phospholipids to diverse cellular membranes is a crucial problem for maintenance of organelle-specific phospholipid compositions. Although the ER-mitochondria encounter structure (ERMES) was proposed to facilitate phospholipid transfer between the ER and mitochondria, such a role of ERMES is still controversial and awaits experimental demonstration. Here we developed a novel in vitro assay system with isolated yeast membrane fractions to monitor phospholipid exchange between the ER and mitochondria. With this system, we found that phospholipid transport between the ER and mitochondria relies on membrane intactness, but not energy sources such as ATP, GTP or the membrane potential across the mitochondrial inner membrane. We further found that lack of the ERMES component impairs the phosphatidylserine transport from the ER to mitochondria, but not the phosphatidylethanolamine transport from mitochondria to the ER. This in vitro assay system thus offers a powerful tool to analyze the non-vesicular phospholipid transport between the ER and mitochondria.
Serial testing for latent tuberculosis using QuantiFERON-TB Gold In-Tube: A Markov model
Authors: Moses Mark W. , Zwerling Alice , Cattamanchi Adithya , Denkinger Claudia M. , Banaei Niaz , Kik Sandra V. , Metcalfe John , Pai Madhukar , Dowdy David
Published: July 2016

Healthcare workers (HCWs) in low-incidence settings are often serially tested for latent TB infection (LTBI) with the QuantiFERON-TB Gold In-Tube (QFT) assay, which exhibits frequent conversions and reversions. The clinical impact of such variability on serial testing remains unknown. We used a microsimulation Markov model that accounts for major sources of variability to project diagnostic outcomes in a simulated North American HCW cohort. Serial testing using a single QFT with the recommended conversion cutoff (IFN-g > 0.35 IU/mL) resulted in 24.6% (95% uncertainty range, UR: 23.8–25.5) of the entire population testing false-positive over ten years. Raising the cutoff to >1.0 IU/mL or confirming initial positive results with a (presumed independent) second test reduced this false-positive percentage to 2.3% (95%UR: 2.0–2.6%) or 4.1% (95%UR: 3.7–4.5%), but also reduced the proportion of true incident infections detected within the first year of infection from 76.5% (95%UR: 66.3–84.6%) to 54.8% (95%UR: 44.6–64.5%) or 61.5% (95%UR: 51.6–70.9%), respectively. Serial QFT testing of HCWs in North America may result in tremendous over-diagnosis and over-treatment of LTBI, with nearly thirty false-positives for every true infection diagnosed. Using higher cutoffs for conversion or confirmatory tests (for initial positives) can mitigate these effects, but will also diagnose fewer true infections.
Protective Effect of Quercetin on Posttraumatic Cardiac Injury
Authors: Jing Zehao , Wang Zhuorun , Li Xiujie , Li Xintao , Cao Tingting , Bi Yue , Zhou Jicheng , Chen Xu , Yu Deqin , Zhu Liang , Li Shuzhuang
Published: July 2016

Quercetin is an important dietary flavonoid present in fruits and vegetables and has attracted attention because of its anti-inflammatory and anti-oxidative properties. Inflammation and oxidative stress play important roles in posttraumatic cardiomyocyte apoptosis, which contributes to secondary cardiac dysfunction. This study investigates the protective effect of quercetin on trauma-induced secondary cardiac injury and the mechanisms involved. Widely accepted nonlethal mechanical trauma models were established. In vivo, cardiomyocyte apoptosis and cardiac dysfunction in rats were assessed using TUNEL staining and a biological mechanic experiment system. In vitro, cell viability, tumour necrosis factor-α (TNF-α), reactive oxygen species (ROS) and [Ca2+]i of H9c2 cells were detected using an MTT assay, ELISA and 2′,7′-dichlorofluorescin diacetate and fluo-4 acetoxymethyl ester assays respectively. Quercetin pretreatment (20 mg/kg i.p.; 0.5 h before trauma) significantly improved posttraumatic cardiomyocyte apoptosis and cardiac dysfunction. Pretreatment with quercetin (20 μM; 24 h before trauma plasma addition) significantly attenuated trauma-induced viability decreases, TNF-α increases, ROS overproduction and [Ca2+]i overload in H9c2 cells. In conclusion, quercetin may reverse posttraumatic cardiac dysfunction by reducing cardiomyocyte apoptosis through the suppression of TNF-α increases, ROS overproduction and Ca2+ overload in cardiomyocytes, representing a potential preventive approach for the treatment of secondary cardiac injury after mechanical trauma.
Reduced Protein Synthesis Fidelity Inhibits Flagellar Biosynthesis and Motility
Authors: Fan Yongqiang , Evans Christopher R. , Ling Jiqiang
Published: July 2016

Accurate translation of the genetic information from DNA to protein is maintained by multiple quality control steps from bacteria to mammals. Genetic and environmental alterations have been shown to compromise translational quality control and reduce fidelity during protein synthesis. The physiological impact of increased translational errors is not fully understood. While generally considered harmful, translational errors have recently been shown to benefit cells under certain stress conditions. In this work, we describe a novel regulatory pathway in which reduced translational fidelity downregulates expression of flagellar genes and suppresses bacterial motility. Electron microscopy imaging shows that the error-prone Escherichia coli strain lacks mature flagella. Further genetic analyses reveal that translational errors upregulate expression of a small RNA DsrA through enhancing its transcription and deleting DsrA from the error-prone strain restores motility. DsrA regulates expression of H-NS and RpoS, both of which regulate flagellar genes. We demonstrate that an increased level of DsrA in the error-prone strain suppresses motility through the H-NS pathway. Our work suggests that bacteria are capable of switching on and off the flagellar system by altering translational fidelity, which may serve as a previously unknown mechanism to improve fitness in response to environmental cues.
Changes in the volume phase transition temperature of hydrogels for detection of the DNA hybridization process
Authors: Kaniewska Klaudia , Kowalczyk Agata , Karbarz Marcin , Nowicka Anna M.
Published: July 2016

A simple biosensing platform which involves the application of thermoresponsive hydrogels for the biochemical recognition of target DNA is presented.
A liquid chromatography-tandem mass spectrometry method for the quantitation of imidafenacin in human plasma: application to a clinical pharmacokinetic study
Authors: Hu Yanyan , Shen Lu , Wang Liupeng , Yuan Tingting , Sun Yi , Yuan Yawen , Qian Wei , Yang Jin
Published: July 2016

Assessment of the matrix effect by a post-column infusion method and sufficient matrix–analyte separation with a Synergi 4 μm Hydro-RP.
A brief history and recent advances in ozone induced chemiluminescence detection for the determination of sulfur compounds by gas chromatography
Authors: Luong Jim , Gras Ronda , Hawryluk Myron , Shearer Randall
Published: July 2016

Ozone induced chemiluminescence is one of the most viable detection techniques for the chromatographic determination of ultra-trace sulfur compounds in difficult matrices.
Fast and environmentally friendly determination of salicylic acid in plant materials by sequential injection chromatography
Authors: Barrientos Marcia O. , Batista Alex D. , Rocha Fábio R. P.
Published: July 2016

An improved procedure for determination of salicylic acid in plant materials is proposed.
Mechanistic study of the radical SAM-dependent amine dehydrogenation reactions
Authors: Ji Xinjian , Liu Wan-Qiu , Yuan Shuguang , Yin Yue , Ding Wei , Zhang Qi
Published: July 2016

Radical SAM-dependent amine dehydrogenation of tryptophan andl–tyrosine has resulted from the 5′-deoxyadenosyl radical-mediated hydrogen abstraction from the Cα of the substrates.
Lithium ion solvation by ethylene carbonates in lithium-ion battery electrolytes, revisited by density functional theory with the hybrid solvation model and free energy correction in solution
Authors: Cui Wei , Lansac Yves , Lee Hochun , Hong Seung-Tae , Jang Yun Hee
Published: July 2016

Li+/Li0 solvation free energy in the ethylene carbonate (EC) electrolyte calculated by density functional theory combined with a hybrid solvation model.
Electronic properties of highly-active Ag3AsO4photocatalyst and its band gap modulation: an insight from hybrid-density functional calculations
Authors: Reunchan Pakpoom , Boonchun Adisak , Umezawa Naoto
Published: July 2016

The electronic properties of highly-active Ag3AsO4photocatalyst are revealed through hybrid-density functional calculations. Its band gap can be linearly modulated by mixing with Ag3PO4in form of solid solution Ag3AsxP1−xO4.
Hydrogen bonds in methane–water clusters
Authors: Salazar-Cano Juan-Ramón , Guevara-García Alfredo , Vargas Rubicelia , Restrepo Albeiro , Garza Jorge
Published: July 2016

Water–methane clusters are stable at low temperatures as those found in Mars. Water cages enveloping methane are stable, although they present small probability to occur.
Hydrophobicity effects in iron polypyridyl complex electrocatalysis within Nafion thin-film electrodes
Authors: Azad Uday Pratap , Yadav Dharmendra Kumar , Ganesan Vellaichamy , Marken Frank
Published: July 2016

Four polypyridyl redox catalysts Fe(bp)32+, Fe(ph)32+, Fe(dm)32+, and Fe(tm)32+ (with bp, ph, dm, and tm representing 2,2′-bipyridine, 1,10-phenanthroline, 4,4′-dimethyl-2,2′-bipyridine, and 3,4,7,8-tetramethyl-1,10-phenanthroline, respectively) are investigated for the electrocatalytic oxidation of three analytes (nitrite, arsenite, and isoniazid).
Exploring electronic effects on the partitioning of actinides(iii) from lanthanides(iii) using functionalised bis-triazinyl phenanthroline ligands
Authors: Edwards Alyn C. , Wagner Christoph , Geist Andreas , Burton Neil A. , Sharrad Clint A. , Adams Ralph W. , Pritchard Robin G. , Panak Petra J. , Whitehead Roger C. , Harwood Laurence M.
Published: July 2016

Revealing how soft N-type donor ligands achieve minor actinide selectivity is fundamental in the design of new and improved extractants for advanced future fuel cycles.
Kinetic studies of CO2 methanation over a Ni/γ-Al2O3 catalyst
Authors: Hubble R. A. , Lim J. Y. , Dennis J. S.
Published: July 2016

The production of methane by reacting CO2 with H2 (CO2 methanation) has the potential for producing synthetic natural gas, which could be exported using the existing infrastructure for the distribution of natural gas. The methanation of CO2 was investigated over a wide range of partial pressures of products and reactants using (i) a gradientless, spinning-basket reactor operated in batch mode and (ii) a laboratory-scale packed bed reactor operated continuously. The rate and selectivity of CO2 methanation, using a 12 wt% Ni/γ-Al2O3 catalyst, were explored at temperatures 445–497 K and pressures up to 20 bar. Research with the batch reactor showed that the rate increased with increasing partial pressures of H2 and CO2 when the partial pressures of these reactants were low; however, the rate of reaction was found to be insensitive to changes in the partial pressures of H2 and CO2 when their partial pressures were high. A convenient method of determining the effect of H2O on the rate of reaction was also developed using the batch reactor and the inhibitory effect of H2O on CO2 methanation was quantified. The kinetic measurements were compared with a mathematical model of the reactor, in which different kinetic expressions were explored. The kinetics of the reaction were found to be consistent with a mechanism in which adsorbed CO2 dissociated to adsorbed CO and O on the surface of the catalyst with the rate-limiting step being the subsequent dissociation of adsorbed CO. The ability of the kinetic expressions to predict the results from the continuous, packed-bed reactor was explored, with some discrepancies discussed.
β-Secretase (BACE1) inhibitory and neuroprotective effects of p-terphenyls from Polyozellus multiplex
Authors: Chon So-Hyun , Yang Eun-Ju , Lee Taeho , Song Kyung-Sik
Published: July 2016

Polyozellin, thelephoric acid, and polyozellic acid might be useful in the development of lead compounds for the prevention of neurodegenerative disorders, especially Alzheimer's disease (AD).
5-Hydroxymethylcytosine in E-box motifs ACAT|GTG and ACAC|GTG increases DNA-binding of the B-HLH transcription factor TCF4
Authors: Khund-Sayeed Syed , He Ximiao , Holzberg Timothy , Wang Jun , Rajagopal Divya , Upadhyay Shriyash , Durell Stewart R. , Mukherjee Sanjit , Weirauch Matthew T. , Rose Robert , Vinson Charles
Published: July 2016

We designed a novel method to double-strand Agilent microarrays such that 5mC and 5hmC are incorporated on one DNA strand. Using protein binding microarrays we demonstrate the utility of this method in exploring how cytosine modification outside of CG dinucleotide alter the DNA binding of sequence-specific transcription factors.
Dynamic transcription factor activity networks in response to independently altered mechanical and adhesive microenvironmental cues
Authors: Peñalver Bernabé Beatriz , Shin Seungjin , Rios Peter D. , Broadbelt Linda J. , Shea Lonnie D. , Seidlits Stephanie K.
Published: July 2016

Large-scale arrays of transcription factor activity reveal differential responses to chemical and mechanical aspects of the extracellular environment.
Carbon monoxide attenuates the effects of snake venoms containing metalloproteinases with fibrinogenase or thrombin-like activity on plasmatic coagulation
Authors: Nielsen Vance G. , Bazzell Charles M.
Published: July 2016

Carbon monoxide released from CORM-2 inhibitsCrotalus atroxsnake venom metalloproteinase mediated decreases in human plasma velocity of coagulation.
Study of the performance of imidazolium-derived cations as structure directing agents in the synthesis of zeolites in fluoride media
Authors: Variani Y. M. , Rojas A. , Gómez-Hortigüela L. , Pergher S. B. C.
Published: July 2016

Three imidazolium cations based on the imidazolium ring, 1,2,3-triethylimidazolium (123TEI), 1,2,3-triethyl-4-methylimidazolium (123TE4MI), and 2-ethyl-1,3-dimethyl (2E13DMI), were employed as structure directing agents (SDA) in the synthesis of pure silica zeolites.
Bacteriophage conjugated IRMOF-3 as a novel opto-sensor for S. arlettae
Authors: Bhardwaj Neha , Bhardwaj Sanjeev K. , Mehta Jyotsana , Nayak Manoj K. , Deep Akash
Published: July 2016

This article reports the novel assembly of a bacteriophage-based fluorescent sensor for the selective and sensitive detection of a model bacterium ‘Staphylococcus arlettae(S. arlettae)’.
p-TsOH promotes 2′-amino-[1,1′-binaphthalene]-2-ol as a chiral solvating agent
Authors: Lakshmipriya A. , Chaudhari Sachin R. , Suryaprakash N.
Published: July 2016

Ternary complex of p-TsOH, NOBIN with hydroxy acids and their derivatives permit NMR spectroscopic chiral discrimination.
Applications of visible light photoredox catalysis to the synthesis of natural products and related compounds
Authors: Nicholls Thomas P. , Leonori Daniele , Bissember Alex C.
Published: July 2016

The total synthesis of natural products and their derivatives continues to inspire organic chemists to identify and test new synthetic strategies and develop and explore novel methodology.
Shape-persistent fluorescent tetraphenylmethane dendrimers
Authors: Urzúa Julio I. , Regueira María A. , Lazzari Massimo , Torneiro Mercedes
Published: July 2016

We report the first examples of a new class of rigid dendrimers made of three-dimensional tetraphenylmethane units connected by ethynylene linkers.
Stimuli responsive furan and thiophene substituted difluoroboron β-diketonate materials
Authors: Morris William A. , Butler Tristan , Kolpaczynska Milena , Fraser Cassandra L.
Published: July 2016

Changing the heteroatom from oxygen to sulfur in a luminescent difluoroboron β-diketonate converts a thermally responsive material into a mechano responsive dye system.
Molecular engineering of thiostrepton via single “base”-based mutagenesis to generate side ring-derived variants
Authors: Duan Panpan , Zheng Qingfei , Lin Zhi , Wang Shoufeng , Chen Dandan , Liu Wen
Published: July 2016

Six thiostrepton (TSR) analogs, siomycin (SIO) and SIO-Dha2Ser were produced in the engineered TSR-producing strain by using a single “base”-based mutagenesis strategy.
Design and strategies for bile acid mediated therapy and imaging
Authors: Nurunnabi Md , Khatun Zehedina , Revuri Vishnu , Nafiujjaman Md , Cha Seungbin , Cho Sungpil , Moo Huh Kang , Lee Yong-kyu
Published: July 2016

Bioinspired materials have received substantial attention across biomedical, biological, and drug delivery research because of their high biocompatibility and lower toxicity compared with synthetic materials.
Effect of oxygen plasma immersion ion implantation on the formation of nanostructures over Ni–Ti alloy
Authors: Viswanathan S. , Mohan L. , Bera Parthasarathi , Anandan C.
Published: July 2016

Ni–Ti alloy has been implanted with oxygen ions by plasma immersion ion implantation. Ni–Ti–O nanotubes are formed by anodic oxidation of oxygen implanted Ni–Ti alloy.
On the Brassard's rule of regioselectivity in Diels–Alder reactions between haloquinones and polar dienes
Authors: Maldonado-Domínguez Mauricio , Ruiz-Pérez Karen , González-Antonio Oscar , Romero-Ávila Margarita , Méndez-Stivalet José , Flores-Pérez Blas
Published: July 2016

DFT/MC/AIM computational methods and experimental tests were used to further explain the Brassard’s rule for the [4 + 2] polar Diels–Alder reaction between nucleophilic dienes and haloquinones, which proceeds with remarkably high regioselectivity.
Nanoscale coordination polymers obtained in ultrasmall liquid droplets on solid surfaces and its comparison to different synthetic volume scales
Authors: Bellido E. , González-Monje P. , Guardingo M. , Novio F. , Sánchez A. , Montero M. , Molnar G. , Bousseksou A. , Ruiz-Molina D.
Published: July 2016

Confined synthesis and comparative study of a coordination polymer at different volume scales, from the macroscopic to the femtolitre scale.
Thermally self-healing silicone-based networks with potential application in recycling adhesives
Authors: Gou Zhiming , Zuo Yujing , Feng Shengyu
Published: July 2016

A simpler approach is developed to obtain recyclable self-healing polysiloxane networks based on the thiol-ene reaction and Diels–Alder (DA) reaction which found potential applications in recyclable adhesives especially for glass bonding.
Ultrahigh capacitance of amorphous nickel phosphate for asymmetric supercapacitor applications
Authors: Omar Fatin Saiha , Numan Arshid , Duraisamy Navaneethan , Bashir Shahid , Ramesh K. , Ramesh S.
Published: July 2016

This article presents the effect of different calcination temperatures on the structural, morphological and capacitance of nickel phosphate (Ni3(PO4)2) as an electrode material for supercapacitor applications.
Ultra-small nickel phosphide nanoparticles as a high-performance electrocatalyst for the hydrogen evolution reaction
Authors: Zhou Miao , Kang Yanyan , Huang Keke , Shi Zhan , Xie Renguo , Yang Wensheng
Published: July 2016

Development of efficient and robust abundant electrocatalysts for the hydrogen evolution reaction (HER) remains challenging. Previous studies have demonstrated that Ni2P nanostructures are efficient HER catalysts.
Fe–Cu catalyzed synthesis of symmetrical and unsymmetrical diaryl thioethers using 1,3-benzoxazole-2-thiol as a sulfur surrogate
Authors: Tber Z. , Hiebel M.-A. , El Hakmaoui A. , Akssira M. , Guillaumet G. , Berteina-Raboin S.
Published: July 2016

An efficient Fe–Cu catalyzed approach is herein developed using 1,3-benzoxazole-2-thiol as a thiol surrogate for the synthesis of symmetrical and unsymmetrical diaryl thioethers.
Synthesis and studies on forward and reverse reactions of phenol-blocked polyisocyanates: an insight into blocked isocyanates
Authors: Nasar A. Sultan , Kalaimani S.
Published: July 2016

Industrially important blocked polyisocyanates were studied in detail using a hot-stage FT-IR spectrophotometer adapting to neat conditions with an aim to resolve complex questions on the relationship between forward and reverse reaction parameters.
1,8-Di(piperidinyl)-naphthalene – rationally designed MAILD/MALDI matrix for metabolomics and imaging mass spectrometry
Authors: Weißflog Jerrit , Svatoš Aleš
Published: July 2016

Matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) of small molecules requires special matrices, which do not generate interfering signals below m/z 500.
A cooperative-binding split aptamer assay for rapid, specific and ultra-sensitive fluorescence detection of cocaine in saliva
Authors: Yu Haixiang , Canoura Juan , Guntupalli Bhargav , Lou Xinhui , Xiao Yi
Published: July 2016

A fluorescence assay based on a split aptamer featuring a cooperative-target-binding mechanism performs one-step, rapid detection of as low as 50 nM in 10% saliva without signal amplification.
Anion exchange membranes with well-defined ion transporting nanochannels via self-assembly of polymerizable ionic liquids
Authors: Gao Xinpei , Lu Fei , Dong Bin , Wu Aoli , Sun Na , Zheng Liqiang
Published: July 2016

We present a facile method to construct highly ordered and well-defined ionic channels in anion exchange membranes via the self-organization of polymerizable amphiphilic ionic liquids.
An efficient pure polyimide ammonia sensor
Authors: Papadopoulou Evie L. , Morselli Davide , Prato Mirko , Barcellona Alessandro , Athanassiou Athanassia , Bayer Ilker S.
Published: July 2016

PMDA–ODA polyimide, broadly known as Kapton, solution-cast coatings cured at low temperatures, act as ammonia sensors. Detection and quantification of ammonia (NH3) vapours from ammonia solutions of different molarities. A device is presented, demonstrating the real-time detection of ammonia vapors by the PMDA–ODA coatings.
Engineering tyrosine electron transfer pathways decreases oxidative toxicity in hemoglobin: implications for blood substitute design
Authors: Silkstone Gary G.A. , Silkstone Rebecca S. , Wilson Michael T. , Simons Michelle , Bülow Leif , Kallberg Kristian , Ratanasopa Khuanpiroon , Ronda Luca , Mozzarelli Andrea , Reeder Brandon J. , Cooper Chris E.
Published: July 2016

Hemoglobin (Hb)-based oxygen carriers (HBOC) have been engineered to replace or augment the oxygen-carrying capacity of erythrocytes. However, clinical results have generally been disappointing due to adverse side effects linked to intrinsic heme-mediated oxidative toxicity and nitric oxide (NO) scavenging. Redox-active tyrosine residues can facilitate electron transfer between endogenous antioxidants and oxidative ferryl heme species. A suitable residue is present in the α-subunit (Y42) of Hb, but absent from the homologous position in the β-subunit (F41). We therefore replaced this residue with a tyrosine (βF41Y, Hb Mequon). The βF41Y mutation had no effect on the intrinsic rate of lipid peroxidation as measured by conjugated diene and singlet oxygen formation following the addition of ferric(met) Hb to liposomes. However, βF41Y significantly decreased these rates in the presence of physiological levels of ascorbate. Additionally, heme damage in the β-subunit following the addition of the lipid peroxide hydroperoxyoctadecadieoic acid was five-fold slower in βF41Y. NO bioavailability was enhanced in βF41Y by a combination of a 20% decrease in NO dioxygenase activity and a doubling of the rate of nitrite reductase activity. The intrinsic rate of heme loss from methemoglobin was doubled in the β-subunit, but unchanged in the α-subunit. We conclude that the addition of a redox-active tyrosine mutation in Hb able to transfer electrons from plasma antioxidants decreases heme-mediated oxidative reactivity and enhances NO bioavailability. This class of mutations has the potential to decrease adverse side effects as one component of a HBOC product.
Simulations of threshold displacement in beryllium
Authors: Jackson Matthew L. , Fossati Paul C. M. , Grimes Robin W.
Published: July 2016

Atomic scale molecular dynamics simulations of radiation damage have been performed on beryllium. Direct threshold displacement simulations along a geodesic projection of directions were used to investigate the directional dependence with a high spatial resolution. It was found that the directionally averaged probability of displacement increases from 0 at 35 eV, with the energy at which there is a 50% chance of a displacement occurring is 70 eV and asymptotically approaching 1 for higher energies. This is, however, strongly directionally dependent with a 50% probability of displacement varying from 35 to 120 eV, with low energy directions corresponding to the nearest neighbour directions. A new kinetic energy dependent expression for the average maximum displacement of an atom as a function of energy is derived which closely matches the simulated data.
Nanosecond laser pulse heating of a platinum surface studied by pump-probe X-ray diffraction
Authors: Shayduk Roman , Vonk Vedran , Arndt Björn , Franz Dirk , Strempfer Jörg , Francoual Sonia , Keller Thomas F. , Spitzbart Tobias , Stierle Andreas
Published: July 2016

We report on the quantitative determination of the transient surface temperature of Pt(110) upon nanosecond laser pulse heating. We find excellent agreement between heat transport theory and the experimentally determined transient surface temperature as obtained from time-resolved X-ray diffraction on timescales from hundred nanoseconds to milliseconds. Exact knowledge of the surface temperature's temporal evolution after laser excitation is crucial for future pump-probe experiments at synchrotron storage rings and X-ray free electron lasers.
The multilevel CC3 coupled cluster model
Authors: Myhre Rolf H. , Koch Henrik
Published: July 2016

We present an efficient implementation of the closed shell multilevel coupled cluster method where coupled cluster singles and doubles (CCSD) is used for the inactive orbital space and CCSD with perturbative triples (CC3) is employed for the smaller active orbital space. Using Cholesky orbitals, the active space can be spatially localized and the computational cost is greatly reduced compared to full CC3 while retaining the accuracy of CC3 excitation energies. For the small organic molecules considered we achieve up to two orders of magnitude reduction in the computational requirements.
A novel high-density power energy harvesting methodology for transmission line online monitoring devices
Authors: Liu Yadong , Xie Xiaolei , Hu Yue , Qian Yong , Sheng Gehao , Jiang Xiuchen , Liu Yilu
Published: July 2016

This paper presents a novel energy-harvesting model which takes the primary current, secondary turns, dimension, the magnitude of magnetic flux density B, and the core loss resistance into consideration systematically. The relationship among the potential maximum output power, the dimension of energy harvesting coil (EHC), the load type of EHC, and the secondary turns is predicted by theoretical analysis and further verified by experiments. A high power density harvester is also developed and tested. It is shown that the power density of this novel harvester is 0.7 mW/g at 10 A, which is more than 2 times powerful than the traditional ones. Hence, it could lighten the half weight of the harvester at the same conditions.
Solvation structure of the halides from x-ray absorption spectroscopy
Authors: Antalek Matthew , Pace Elisabetta , Hedman Britt , Hodgson Keith O. , Chillemi Giovanni , Benfatto Maurizio , Sarangi Ritimukta , Frank Patrick
Published: July 2016

Three-dimensional models for the aqueous solvation structures of chloride, bromide, and iodide are reported. K-edge extended X-ray absorption fine structure (EXAFS) and Minuit X-ray absorption near edge (MXAN) analyses found well-defined single shell solvation spheres for bromide and iodide. However, dissolved chloride proved structurally distinct, with two solvation shells needed to explain its strikingly different X-ray absorption near edge structure (XANES) spectrum. Final solvation models were as follows: iodide, 8 water molecules at 3.60 ± 0.13 Å and bromide, 8 water molecules at 3.40 ± 0.14 Å, while chloride solvation included 7 water molecules at 3.15 ± 0.10 Å, and a second shell of 7 water molecules at 4.14 ± 0.30 Å. Each of the three derived solvation shells is approximately uniformly disposed about the halides, with no global asymmetry. Time-dependent density functional theory calculations simulating the chloride XANES spectra following from alternative solvation spheres revealed surprising sensitivity of the electronic state to 6-, 7-, or 8-coordination, implying a strongly bounded phase space for the correct structure during an MXAN fit. MXAN analysis further showed that the asymmetric solvation predicted from molecular dynamics simulations using halide polarization can play no significant part in bulk solvation. Classical molecular dynamics used to explore chloride solvation found a 7-water solvation shell at 3.12 (−0.04/+0.3) Å, supporting the experimental result. These experiments provide the first fully three-dimensional structures presenting to atomic resolution the aqueous solvation spheres of the larger halide ions.
Proton pinhole imaging on the National Ignition Facility
Authors: Zylstra A. B. , Park H.-S. , Ross J. S. , Fiuza F. , Frenje J. A. , Higginson D. P. , Huntington C. , Li C. K. , Petrasso R. D. , Pollock B. , Remington B. , Rinderknecht H. G. , Ryutov D. , Séguin F. H. , Turnbull D. , Wilks S. C.
Published: July 2016

Pinhole imaging of large (mm scale) carbon-deuterium (CD) plasmas by proton self-emission has been used for the first time to study the microphysics of shock formation, which is of astrophysical relevance. The 3 MeV deuterium-deuterium (DD) fusion proton self-emission from these plasmas is imaged using a novel pinhole imaging system, with up to five different 1 mm diameter pinholes positioned 25 cm from target-chamber center. CR39 is used as the detector medium, positioned at 100 cm distance from the pinhole for a magnification of 4 ×. A Wiener deconvolution algorithm is numerically demonstrated and used to interpret the images. When the spatial morphology is known, this algorithm accurately reproduces the size of features larger than about half the pinhole diameter. For these astrophysical plasma experiments on the National Ignition Facility, this provides a strong constraint on simulation modeling of the experiment.
Compact and multi-view solid state neutral particle analyzer arrays on National Spherical Torus Experiment-Upgrade
Authors: Liu D. , Heidbrink W. W. , Tritz K. , Fredrickson E. D. , Hao G. Z. , Zhu Y. B.
Published: July 2016

A compact and multi-view solid state neutral particle analyzer (SSNPA) diagnostic based on silicon photodiode arrays has been successfully tested on the National Spherical Torus Experiment-Upgrade. The SSNPA diagnostic provides spatially, temporally, and pitch-angle resolved measurements of fast-ion distribution by detecting fast neutral flux resulting from the charge exchange (CX) reactions. The system consists of three 16-channel subsystems: t-SSNPA viewing the plasma mid-radius and neutral beam (NB) line #2 tangentially, r-SSNPA viewing the plasma core and NB line #1 radially, and p-SSNPA with no intersection with any NB lines. Due to the setup geometry, the active CX signals of t-SSNPA and r-SSNPA are mainly sensitive to passing and trapped particles, respectively. In addition, both t-SSNPA and r-SSNPA utilize three vertically stacked arrays with different filter thicknesses to obtain coarse energy information. The experimental data show that all channels are operational. The signal to noise ratio is typically larger than 10, and the main noise is x-ray induced signal. The active and passive CX signals are clearly observed on t-SSNPA and r-SSNPA during NB modulation. The SSNPA data also indicate significant losses of passing particles during sawteeth, while trapped particles are weakly affected. Fluctuations up to 120 kHz have been observed on SSNPA, and they are strongly correlated with magnetohydrodynamics instabilities.
Unidirectional signal propagation in primary neurons micropatterned at a single-cell resolution
Authors: Yamamoto H. , Matsumura R. , Takaoki H. , Katsurabayashi S. , Hirano-Iwata A. , Niwano M.
Published: July 2016

The structure and connectivity of cultured neuronal networks can be controlled by using micropatterned surfaces. Here, we demonstrate that the direction of signal propagation can be precisely controlled at a single-cell resolution by growing primary neurons on micropatterns. To achieve this, we first examined the process by which axons develop and how synapses form in micropatterned primary neurons using immunocytochemistry. By aligning asymmetric micropatterns with a marginal gap, it was possible to pattern primary neurons with a directed polarization axis at the single-cell level. We then examined how synapses develop on micropatterned hippocampal neurons. Three types of micropatterns with different numbers of short paths for dendrite growth were compared. A normal development in synapse density was observed when micropatterns with three or more short paths were used. Finally, we performed double patch clamp recordings on micropatterned neurons to confirm that these synapses are indeed functional, and that the neuronal signal is transmitted unidirectionally in the intended orientation. This work provides a practical guideline for patterning single neurons to design functional neuronal networks in vitro with the direction of signal propagation being controlled.
Photodissociation dynamics of the iodide-uracil (I−U) complex
Authors: Li Wei-Li , Kunin Alice , Matthews Edward , Yoshikawa Naruo , Dessent Caroline E. H. , Neumark Daniel M.
Published: July 2016

Photofragment action spectroscopy and femtosecond time-resolved photoelectron imaging are utilized to probe the dissociation channels in iodide-uracil (I− ⋅ U) binary clusters upon photoexcitation. The photofragment action spectra show strong I− and weak [U—H]− ion signal upon photoexcitation. The action spectra show two bands for I− and [U—H]− production peaking around 4.0 and 4.8 eV. Time-resolved experiments measured the rate of I− production resulting from excitation of the two bands. At 4.03 eV and 4.72 eV, the photoelectron signal from I− exhibits rise times of 86 ± 7 ps and 36 ± 3 ps, respectively. Electronic structure calculations indicate that the lower energy band, which encompasses the vertical detachment energy (4.11 eV) of I−U, corresponds to excitation of a dipole-bound state of the complex, while the higher energy band is primarily a π–π∗ excitation on the uracil moiety. Although the nature of the two excited states is very different, the long lifetimes for I− production suggest that this channel results from internal conversion to the I− ⋅ U ground state followed by evaporation of I−. This hypothesis was tested by comparing the dissociation rates to Rice-Ramsperger-Kassel-Marcus calculations.
Evaluation of observable phase space by fast ion loss detector by calculating particle orbits in consideration of plasma facing components and three dimensional magnetic field
Authors: Shinohara Kouji , Kim Junghee , Kim Jun Young , Rhee Tongnyeol
Published: July 2016

The orbits of lost ions can be calculated from the information obtained by a fast ion loss detector (FILD). The orbits suggest a source of the lost fast ions in a phase space. However, it is not obvious whether an observable set of orbits, or phase space, of a FILD appropriately covers the region of interest to be investigated since the observable phase space can be affected by plasma facing components (PFCs) and a magnetic configuration. A tool has been developed to evaluate the observable phase space of FILD diagnostic by calculating particle orbits by taking the PFCs and 3D magnetic field into account.