bluuebunny/crossref_metadata_2025_split huggingface dataset:
Polyurethanes based on 2,2‐Dinitropropane‐1,3‐diol and 2,2‐bis(azidomethyl)propane‐1,3‐diol as potential energetic binders
Authors: Bellan Andreas B. , Hafner Sven , Hartdegen Vera A. , Klapötke Thomas M. 
Published: June 2016

ABSTRACTOn the base of 2,2‐bis(azidomethyl)propane‐1,3‐diol (BAMP) and 2,2‐dinitropropane‐1,3‐diol (DNPD) four different polyurethanes were synthesized in a polyaddition reaction using hexamethylene diisocyanate (HMDI) and diisocyanato ethane (DIE). The obtained prepolymers were mainly characterized using vibrational spectroscopy (IR) and elemental analysis. For determination of low and high temperature behavior, differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) were used. Investigations concerning friction and impact sensitivities were carried out using a BAM drop hammer and friction tester. The energetic properties of the polymers were determined using bomb calorimetric measurements and calculated with the EXPLO5 V6.02 computer code. The obtained values were compared with the glycidyl azide polymer (GAP). The compounds turned out to be insensitive toward friction (>360 N) and less sensitive toward impact (40 J). The good physical stabilities, along with their sufficient thermal stability (170–210 °C) and moderate energetic properties renders these polymers into potential compounds for applications as binders in energetic formul;ations. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43991.
Effects of silica on the morphology, structure, and properties of thermoplastic cassava starch/poly(vinyl alcohol) blends
Authors: Liu Yuxin , Mo Xianzhong , Pang Jinying , Yang Fang 
Published: June 2016

ABSTRACTThermoplastic cassava starch (TPS)/poly(vinyl alcohol) (PVA)/silica (SiO2) composites were prepared by a melt‐mixing method. The effects of the content and surface properties of SiO2 on the processing, mechanical properties, thermal stability, morphology, and structure of the TPS/PVA/SiO2 composites were investigated. With increasing SiO2 content, the plasticizing times of the TPS/PVA/SiO2 composites were shortened. After the SiO2 surface was treated with a silane coupling agent (KH550), the plasticizing times of the TPS/PVA/SiO2 composites decreased significantly. The tensile strength, elongation at break, and Young's modulus of the TPS/PVA/SiO2 composites increased. The mechanical properties of the TPS/PVA/SiO2 composites containing treated SiO2 were higher than those with untreated SiO2. The thermal decomposition temperatures of the TPS/PVA/SiO2 composites were improved with the addition of SiO2. The presence of inorganic fillers was beneficial to the improvement of the thermal stability of the polymers. The reaction between the treated SiO2 and the starch molecules was beneficial to the formation of more stable structures. The treated SiO2 indicated good interfacial adhesion and uniform dispersion in the matrix. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 44020.
Identification and Mechanistic Studies of a Cell Cycle Regulator JP18 from a Library of Synthetic Indole Terpenoid Mimics
Authors: Pei Jinpeng , Zhou Shupeng , Yang Fan , Sun Yu , Li Ang , Zhang Wei‐Dong , He Weiwei 
Published: June 2016

AbstractWe constructed a small library of indole terpenoid mimics using a hybridizing strategy to link various indole and α,β‐unsaturated enone building blocks together. Prepared compounds were evaluated for the cytotoxicity against a panel of cancer cell lines. An indolyl ketone called JP18 was identified as a cell cycle regulator, and the underlying mechanism was investigated.
Five‐State Molecular Shuttling of a Pair of [2]Rotaxanes: Distinct Outputs in Response to Acid and Base Stimuli
Authors: Ueda Masahiro , Terazawa Shoya , Deguchi Yasuaki , Kimura Masaki , Matsubara Naoki , Miyagawa Shinobu , Kawasaki Tsuneomi , Tokunaga Yuji 
Published: June 2016

AbstractIn this study we synthesized two acid‐/base‐controllable [2]rotaxanes featuring aminodiazobenzene and aminocoumarin units, respectively, as chromophores and dibenzo[24]crown‐8 and dibenzo[25]crown‐8 units, respectively, as their macrocyclic components. Each [2]rotaxane contained N‐alkylarylamine (ammonium) and N,N‐dialkylamine (ammonium) centers as binding sites for their crown ether components. The absorption patterns of the chromophores were dependent on the position of the encircling macrocyclic component and the degree of protonation, with three distinct states (under acidic, neutral, and basic conditions) evident for each [2]rotaxane. The mixed [2]rotaxane system displayed stepwise and independent molecular shuttling behavior based on the degree of protonation of the amino groups in response to both the amount and strength of added acids or bases; as such, the system provided five different absorption signals as outputs that could be read using UV/Vis spectroscopy.
Arsenic‐based Life: An active learning assignment for teaching scientific discourse
Authors: Jeremy Johnson R. 
Published: June 2016

AbstractAmong recent high profile scientific debates was the proposal that life could exist with arsenic in place of phosphorous in its nucleic acids and other biomolecules. Soon after its initial publication, scientists across diverse disciplines began to question this extraordinary claim. Using the original article, its claims, its scientific support, and the ensuing counterarguments, a two‐day, active learning classroom exercise was developed focusing on the presentation, evaluation, and discussion of scientific argumentation and discourse. In this culminating assignment of a first semester biochemistry course, undergraduate students analyze the scientific support from the original research articles and then present and discuss multiple scientific rebuttals in a lively, civil classroom debate. Through this assignment, students develop a sense of skepticism, especially for the original arsenic‐based life claims, and learn to clearly articulate their counterarguments with scientific support and critical reasoning. With its direct integration into first‐semester biochemistry curriculum and the excitement surrounding arsenic based life, this assignment provides a robust, simple, and stimulating framework for introducing scientific discourse and active learning into the undergraduate molecular science curriculum. © 2016 by The International Union of Biochemistry and Molecular Biology, 45(1):40–45, 2017.
Physical comorbidities increase the risk of psychiatric comorbidity in multiple sclerosis
Authors: Marrie Ruth Ann , Patten Scott B. , Greenfield Jamie , Svenson Lawrence W. , Jette Nathalie , Tremlett Helen , Wolfson Christina , Warren Sharon , Profetto‐McGrath Joanne , Fisk John D. ,   the CIHR Team in the Epidemiology and Impact of Comorbidity on Multiple Sclerosis
Published: June 2016

AbstractBackgroundRisk factors for psychiatric comorbidity in multiple sclerosis (MS) are poorly understood.ObjectiveWe evaluated the association between physical comorbidity and incident depression, anxiety disorder, and bipolar disorder in a MS population relative to a matched general population cohort.MethodsUsing population‐based administrative data from Alberta, Canada we identified 9624 persons with MS, and 41,194 matches. Using validated case definitions, we estimated the incidence of depression, anxiety disorder, and bipolar disorder, and their association with physical comorbidities using Cox regression, adjusting for age, sex, socioeconomic status, and index year.ResultsIn both populations, men had a lower risk of depression and anxiety disorders than women, as did individuals who were ≥45 years versus <45 years at the index date. The risk of bipolar disorder declined with increasing age. The risks of incident depression (HR 1.92; 1.82–2.04), anxiety disorders (HR 1.52; 1.42–1.63), and bipolar disorder (HR 2.67; 2.29–3.11) were higher in the MS population than the matched population. These associations persisted essentially unchanged after adjustment for covariates including physical comorbidities. Multiple physical comorbidities were associated with psychiatric disorders in both populations.ConclusionPersons with MS are at increased risk of psychiatric comorbidity generally, and some physical comorbidities are associated with additional risk.
Fostering Stakeholder Engagement: The Role of Materiality Disclosure in Integrated Reporting
Authors: Fasan Marco , Mio Chiara 
Published: June 2016

AbstractThis paper studies the determinants of materiality disclosure among International Integrated Reporting Council (IIRC) Pilot Program companies implementing the IIRC Framework. In other words, it studies which variables influence the way in which such companies provides information about their materiality determination process. In order to test our hypotheses we performed a number of statistical analyses on a unique hand‐collected dataset including IIRC and non‐IIRC Pilot Program companies for the 2012 and 2013 fiscal years. Our results indicate that industry and some firm‐level characteristics (board size and diversity) do play a significant role in the determination of materiality disclosure, whereas the legal environment in which companies operate does not. Also, we found that IIRC Pilot Program companies disclosed more information about materiality than their competitors that did not join the program. This paper provides interesting insights for policy makers (in particular, the IIRC) and extends previous academic literature on integrated reporting. Copyright © 2016 John Wiley & Sons, Ltd and ERP Environment
Novel role of ASC as a regulator of metastatic phenotype
Authors: Okada Nagisa , Fujii Chifumi , Matsumura Tomio , Kitazawa Masato , Okuyama Ryuhei , Taniguchi Shun'ichiro , Hida Shigeaki 
Published: June 2016

AbstractDisorders of cytoskeletal remodeling and signal transduction are frequently involved in cancer progression. In particular, apoptosis‐associated speck‐like protein containing a caspase‐recruitment domain (ASC) has been reported a proapoptotic molecule that is epigenetically silenced in several human cancers. ASC is a well‐characterized adaptor protein involved in the formation of multiprotein oligomers, called inflammasomes, and plays a crucial role in the activation and secretion of interleukin‐1β and interleukin‐18 in innate immune cells. However, the function of ASC in the regulation of tumor progression remains elusive. The present investigation examined the involvement of ASC in cancer progression and the acquisition of metastatic ability. To determine the effect of ASC depletion in in vitro and in vivo model systems, ASC was stably knocked down in B16 murine melanoma cell lines using retroviral transduction of shRNA. ASC suppression increased the motility of B16BL6 cells in scratch assays and augmented invasiveness as assessed by a Matrigel‐coated transwell system. Invadopodia formation and Src phosphorylation level were markedly enhanced in ASC‐knockdown cells as well. Since caspase‐8 has been reported to enhance cellular migration by Tyr380 phosphorylation via Src, we examined Tyr380 phosphorylation of caspase‐8 in ASC‐knockdown cells and found it to be elevated in ASC‐knockdown cells but attenuated by z‐VAD‐fmk or z‐IETD‐fmk. Moreover, ASC ablation increased pulmonary metastasis in mice after intravenous injection of B16BL6 cells. Our cumulative findings indicate that ASC suppresses cancer metastasis and progression via the modulation of cytoskeletal remodeling and the Src‐caspase‐8 signaling pathway.
Galectin‐3‐Binding Glycomimetics that Strongly Reduce Bleomycin‐Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition
Authors: Delaine Tamara , Collins Patrick , MacKinnon Alison , Sharma G. , Stegmayr John , Rajput Vishal K. , Mandal Santanu , Cumpstey Ian , Larumbe Amaia , Salameh Bader A. , Kahl‐Knutsson Barbro , van Hattum Hilde , van Scherpenzeel Monique , Pieters Roland J. , Sethi Tariq , Schambye Hans , Oredsson Stina , Leffler Hakon , Blanchard Helen , Nilsson Ulf J. 
Published: June 2016

AbstractDiscovery of glycan‐competitive galectin‐3‐binding compounds that attenuate lung fibrosis in a murine model and that block intracellular galectin‐3 accumulation at damaged vesicles, hence revealing galectin‐3–glycan interactions involved in fibrosis progression and in intracellular galectin‐3 activities, is reported. 3,3′‐Bis‐(4‐aryltriazol‐1‐yl)thiodigalactosides were synthesized and evaluated as antagonists of galectin‐1, ‐2, ‐3, and ‐4 N‐terminal, ‐4 C‐terminal, ‐7 and ‐8 N‐terminal, ‐9 N‐terminal, and ‐9 C‐terminal domains. Compounds displaying low‐nanomolar affinities for galectins‐1 and ‐3 were identified in a competitive fluorescence anisotropy assay. X‐ray structural analysis of selected compounds in complex with galectin‐3, together with galectin‐3 mutant binding experiments, revealed that both the aryltriazolyl moieties and fluoro substituents on the compounds are involved in key interactions responsible for exceptional affinities towards galectin‐3. The most potent galectin‐3 antagonist was demonstrated to act in an assay monitoring galectin‐3 accumulation upon amitriptyline‐induced vesicle damage, visualizing a biochemically/medically relevant intracellular lectin–carbohydrate binding event and that it can be blocked by a small molecule. The same antagonist administered intratracheally attenuated bleomycin‐induced pulmonary fibrosis in a mouse model with a dose/response profile comparing favorably with that of oral administration of the marketed antifibrotic compound pirfenidone.
Role of Oxide Reducibility in the Deoxygenation of Phenol on Ruthenium Clusters Supported on the Anatase Titania (1 0 1) Surface
Authors: Chen Hsin‐Yi Tiffany , Pacchioni Gianfranco 
Published: June 2016

AbstractThe deoxygenation of phenol on stoichiometric and reduced Ru10/TiO2 anatase (1 0 1) surfaces has been studied by using DFT with the Hubbard correction (DFT+U). If the molecule orients with the OH group towards the metal–oxide interface, the direct deoxygenation of phenol can occur. However, on the stoichiometric TiO2 surface, the reaction is thermodynamically unfavorable. Two kinds of reduced surfaces have been considered: one in which Ti3+ centers are generated by hydrogen addition, and a second one in which a water molecule is removed from a hydroxylated surface with the formation of O vacancies and Ti3+ centers. On the surface reduced by hydrogen addition (Ti3+ ions), the phenol molecular and dissociative adsorptions (C6H5+OH fragments) become isoenergetic; the barrier to dissociate the C−OH bond is 1.19 eV, which indicates a possible channel for the deoxygenation of phenol. On the surface reduced by O vacancies, the dissociative adsorption is 0.22 eV more stable than the molecular adsorption, which indicates a thermodynamically favorable process; however, the C−OH activation energy is higher, 1.50 eV. The results show that the C−O scission can be an important step towards the direct deoxygenation. The reduction of the surface facilitates the direct deoxygenation of phenol significantly.
Spectral Capacitance of Series and Parallel Combinations of Supercapacitors
Authors: Allagui Anis , Elwakil Ahmed S. , Maundy Brent J. , Freeborn Todd J. 
Published: June 2016

AbstractThe porous nature of the electrode material in supercapacitors and the apparent conductivity of the electrolyte cause their impedance to show a complex frequency‐dependent behavior, which in turn makes it incorrect to treat them as ideal capacitors, even at a frequency of a few millihertz. This is particularly crucial if the intended application requires a configuration that uses stacked supercapacitor banks, in which errors in defining the metrics of the individual components accumulate. Although manufacturers provide supercapacitor ratings under DC only, by using a detailed impedance spectroscopy study of all possible series and parallel combinations of two different commercial 1 Farad carbon–carbon supercapacitors, we show that these nominal DC capacitances are not suitable to evaluate the equivalent capacitance. Instead, by using a model that consists of a series resistance and a constant‐phase element, we employed a real, effective capacitance (in proper Farad units) suitable for direct application. This effective capacitance can be used to define the frequency‐dependent quality factor of a supercapacitor and enables the easy calculation of series and parallel associations of identical or different devices.
Renewability is not Enough: Recent Advances in the Sustainable Synthesis of Biomass‐Derived Monomers and Polymers
Authors: Llevot Audrey , Dannecker Patrick‐Kurt , von Czapiewski Marc , Over Lena C. , Söyler Zafer , Meier Michael A. R. 
Published: June 2016

AbstractTaking advantage of the structural diversity of different biomass resources, recent efforts were directed towards the synthesis of renewable monomers and polymers, either for the substitution of petroleum‐based resources or for the design of novel polymers. Not only the use of biomass, but also the development of sustainable chemical approaches is a crucial aspect for the production of sustainable materials. This review discusses the recent examples of chemical modifications and polymerizations of abundant biomass resources with a clear focus on the sustainability of the described processes. Topics such as synthetic methodology, catalysis, and development of new solvent systems or greener alternative reagents are addressed. The chemistry of vegetable oil derivatives, terpenes, lignin, carbohydrates, and sugar‐based platform chemicals was selected to highlight the trends in the active field of a sustainable use of renewable resources.
ChemInform Abstract: Iodobismuthates Containing One‐Dimensional BiI4‐ Anions as Prospective Light‐Harvesting Materials: Synthesis, Crystal and Electronic Structure, and Optical Properties.
Authors: Yelovik Natalie A. , Mironov Andrei V. , Bykov Mikhail A. , Kuznetsov Alexey N. , Grigorieva Anastasia V. , Wei Zheng , Dikarev Evgeny V. , Shevelkov Andrei V. 
Published: June 2016

AbstractIn the frame of replacing toxic Pb of iodoplumbates in all‐solid, dye‐sensitized solar cells, LiBiI4·5H2O (I), MgBi2I8·8H2O (II), MnBi2I8·8H2O (III), and KBiI4·H2O (IV) are prepared by solvent evaporation of solutions containing e.g. BiI3 and Li2CO3 (2:1) in freshly prepared HI (5 weeks under ambient air, ≈70% yield).
ChemInform Abstract: Synthesis and Crystal Structure of the New Mixed‐Metal Bismuth Indium Sulfide, Bi0.76In1.24S3.
Authors: Yoon Woojin , Kim Kyounghee , Yun Hoseop 
Published: June 2016

AbstractSingle crystals of Bi0.76In1.24S3 are grown from mixtures of the elements (Bi:In:S = 1:1:3) in a RbCl flux (evacuated silica tube, 923 K, 72 h; cooling to 473 K at a rate of 3 K/h).
ChemInform Abstract: Single Crystal Growth of the New Pressure‐Induced‐Superconductor CrAs via Chemical Vapor Transport.
Authors: Zhu Xiangde , Ling Langsheng , Han Yuyan , Xu Junmin , Wang Yongjian , Zhang Hongwei , Zhang Changjin , Pi Li , Zhang Yuheng 
Published: June 2016

AbstractSingle crystals of CrAs (1 x 5 x 1 mm3 in size) are grown by chemical transport reaction of the elements using I2 as the transport agent (evacuated quartz tube in two‐zone horizontal furnace, 1.
ChemInform Abstract: Common Building Motifs in Ba2Fe3 (PO4)4·2H2O, BaFe3(PO4)3 and Na3Fe3(PO4)4: Labile Fe2+/Fe3+ Ordering and Charge‐Dependent Magnetism.
Authors: David Renald , Pautrat Alain , Kabbour Houria , Mentre Olivier 
Published: June 2016

AbstractThe new mixed‐valent compounds Ba2Fe3 (PO4)4·2H2O ((I), Fe3+/Fe2+ = 2:1) and BaFe3(PO4)3 ((II), Fe3+/Fe2+ = 1:2) are isolated from samples prepared by hydrothermal reaction of a 1:4 molar mixture of BaCO3 and FeCl2 in H2O, H3PO4 (65%), and N2H4 as reductant (autoclave, 493 K, 72 h).
ChemInform Abstract: Synthesis and Crystal Structure of mer‐Nitroaquatriamminenitrosylruthenium(II) Nitrate [RuNO(NH3)3(NO2)(H2O)] (NO3)2.
Authors: Vorobyev Vasily , Kabin Evgeniy V. , Emelyanov Vyacheslav A. , Baidina Iraida A. , Korolkov Ilya V. 
Published: June 2016

AbstractThe new title compound is obtained from a reaction mixture of mer‐[RuNO(NH3)3(NO2)(OH)] Cl·0.5H2O and an excess of 16 M HNO3 (25 °C, 2 h; 90% yield).
ChemInform Abstract: Ba4Ru3O10.2(OH)1.8: A New Member of the Layered Hexagonal Perovskite Family Crystallized from Water.
Authors: Hiley Craig I. , Lees Martin R. , Hammond David L. , Kashtiban Reza J. , Sloan Jeremy , Smith Ronald I. , Walton Richard I. 
Published: June 2016

AbstractBa4Ru3O10.2(OH)1.8 is prepared under hydrothermal conditions from a 2:1 molar mixture of BaO2 and KRuO4 in H2O (autoclave, 200 °C, 1 d).
ChemInform Abstract: Self‐Assembled Ion‐Pair Organocatalysis — Asymmetric Baeyer—Villiger Oxidation Mediated by Flavinium—Cinchona Alkaloid Dimer.
Authors: Poudel Pramod Prasad , Arimitsu Kenji , Yamamoto Kana 
Published: June 2016

AbstractAn ion‐pair catalyst promotes the enantioselective Baeyer—Villiger oxidation of 3‐substituted cyclobutanones to give γ‐butyrolactones.
ChemInform Abstract: Diastereodivergent Access to syn and anti 3,4‐Substituted β‐Fluoropyrrolidines: Enhancing or Reversing Substrate Preference.
Authors: Fjelbye Kasper , Marigo Mauro , Clausen Rasmus Praetorius , Juhl Karsten 
Published: June 2016

AbstractThe fluorination of pyrrolidinyl carbaldehydes (I) in the presence of prolinol‐derived catalyst PRL leads to syn‐β‐fluoropyrrolidines (II), whilst the use of MacMillan imidazolidinone catalyst IMDB gives rise to anti‐diastereomers (III).
ChemInform Abstract: Copper‐Catalyzed Diastereoselective Addition of Diborylmethane to N‐tert‐Butanesulfinyl Aldimines: Synthesis of β‐Aminoboronates.
Authors: Park Jinyoung , Lee Yeosan , Kim Junghoon , Cho Seung Hwan 
Published: June 2016

AbstractThe addition of diborylmethane to N‐tert‐butanesulfinyl aldimines (I) followed by oxidation of the Bpin group leads to alcohols (III) with high diastereoselectivity.
ChemInform Abstract: Intramolecular Carbonyl‐Ene Reactions in the Synthesis of peri‐Oxygenated Hydroaromatics.
Authors: Basak Shyam , Mal Dipakranjan 
Published: June 2016

Abstract2‐Methallyl aromatic aldehydes, obtained by Suzuki coupling of 2‐formylphenylboronic acids with methallyl bromide, are shown to provide cycloalkylidene ene products under acidic conditions.
ChemInform Abstract: Reactions of gem‐Difluorinated Phosphonium Salts Induced by Light.
Authors: Panferova Liubov I. , Tsymbal Artem V. , Levin Vitalij V. , Struchkova Marina I. , Dilman Alexander D. 
Published: June 2016

AbstractThe title phosphonium salts serve as source of radicals under reductive conditions using an iridium complex or Hantzsch ester as one‐electron reducing agent under irradiation with visible light.The fluorinated radicals are trapped with various alkenes leading either to furan derivatives via a photoredox cycle (for the iridium catalyst) or aliphatic fluorinated alcohols via a hydrogen atom transfer (for the Hantzsch ester).
ChemInform Abstract: NaBrO3/Guanidinium‐Based Sulfonic Acid: As a Transition Metal‐ and Strong Inorganic Acid‐Free Oxidation System for Alcohols and Alkyl Arenes.
Authors: Shaabani Ahmad , Laeini Mohammad Sadegh , Shaabani Shabnam , Seyyedhamzeh Mozhdeh 
Published: June 2016

AbstractA wide range of alcohols and alkyl arenes are conveniently oxidized to the corresponding carbonyl compounds using sodium bromate as the oxidizing agent and a guanidinium‐based sulfonic acid as easily recyclable catalyst.
ChemInform Abstract: Tunable Cascade Reaction of Aryl Diazonium Salts and Trialkylamine: Synthesis of Monofluorinated Arylhydrazones and gem‐Difluorinated Azo Compounds.
Authors: Guo Rui , Zhang Zhengjuan , Shi Feng , Tang Pingping 
Published: June 2016

AbstractUsing H2O, monofluorinated arylhydrazones are obtained.
ChemInform Abstract: Base‐Free Photoredox/Nickel Dual‐Catalytic Cross‐Coupling of Ammonium Alkylsilicates.
Authors: Jouffroy Matthieu , Primer David N. , Molander Gary A. 
Published: June 2016

AbstractAmmonium organobis(catecholato)silicates are introduced as valuable 1° and 2° alkyl radical precursors in dual‐catalytic cross‐coupling reactions with (hetero)aryl bromides.