bluuebunny/crossref_metadata_2025_split huggingface dataset:
Facile Supramolecular Processing of Carbon Nanotubes and Polymers for Electromechanical Sensors
Authors: Kim Chae Bin , Jeong Ki Beom , Yang Beom Joo , Song Jong‐Won , Ku Bon‐Cheol , Lee Seunghyun , Lee Seoung‐Ki , Park Chiyoung 
Published: October 2017

AbstractWe herein report a facile, cost‐competitive, and scalable method for producing viscoelastic conductors via one‐pot melt‐blending using polymers and supramolecular gels composed of carbon nanotubes (CNTs), diphenylamine (DP), and benzophenone (BP). When mixed, a non‐volatile eutectic liquid (EL) produced by simply blending DP with BP (1:1 molar ratio) enabled not only the gelation of CNTs (EL‐CNTs) but also the dissolution of a number of commodity polymers. To make use of these advantages, viscoelastic conductors were produced via one‐pot melt‐blending the EL and CNTs with a model thermoplastic elastomer, poly(styrene‐b‐butadiene‐b‐styrene) (SBS, styrene 30 wt %). The resulting composites displayed an excellent electromechanical sensory along with re‐mendable properties. This simple method using cost‐competitive EL components is expected to provide an alternative to the use of expensive ionic liquids as well as to facilitate the fabrication of novel composites for various purposes.
Multiple Evidenz für einen ungewöhnlichen Wechselwirkungsmodus zwischen Calmodulin und Orai‐Proteinen
Authors: Traxler Lukas , Rathner Petr , Fahrner Marc , Stadlbauer Michael , Faschinger Felix , Charnavets Tatsiana , Müller Norbert , Romanin Christoph , Hinterdorfer Peter , Gruber Hermann J. 
Published: October 2017

AbstractCalmodulin (CaM) bindet an die meisten Zielproteine durch Umwickeln einer amphiphatischen α‐Helix. Das N‐terminale Ende von Orai‐Proteinen enthält ein solches konserviertes CaM‐Bindungssegment, der molekulare Bindungsmechanismus ist jedoch strittig. Hier wurden die Bindungsgleichgewichte, die entsprechenden Kinetiken sowie die Bindungskräfte zwischen einzelnen Calmodulinmolekülen und den konservierten Helices von Orai1 oder Orai3 untersucht. Die Resultate zeigten übereinstimmend eine schrittweise Bindung von zwei einzelnen Peptiden an die beiden Lappen von CaM. Eine Affinitätsteigerung wurde beobachtet, wenn zwei Orai‐Peptide an ihren C‐Termini entweder dimerisiert oder mit hoher lateraler Dichte immobilisiert wurden, wodurch die enge Nachbarschaft dieser N‐terminalen Helices in den nativen Orai‐Oligomeren nachgebildet wurde. Analoge Kontrollexperimente mit Myosin‐Leichtketten‐Kinase von glatten Muskelzellen zeigten nur die konventionelle 1:1‐Bindung und bestätigten die Beweiskraft unserer Methoden.
Double Catalytic Kinetic Resolution (DoCKR) of Acyclic anti‐1,3‐Diols: The Additive Horeau Amplification
Authors: Merad Jérémy , Borkar Prashant , Caijo Frédéric , Pons Jean‐Marc , Parrain Jean‐Luc , Chuzel Olivier , Bressy Cyril 
Published: October 2017

AbstractThe concept of a synergistic double catalytic kinetic resolution (DoCKR) as described in this article was successfully applied to racemic acyclic anti‐1,3‐diols, a common motif in natural products. This process takes advantage of an additive Horeau amplification involving two successive enantioselective organocatalytic acylation reactions, and leads to diesters and recovered diols with high enantiopurities. It was first developed with C2‐symmetrical diols and then further extended to non‐C2‐symmetrical anti diols to prepare useful chiral building blocks. The protocol is highly practical as it only requires 1 mol % of a commercially available organocatalyst and leads to easily separable products. This procedure was applied to the shortest reported total synthesis of (+)‐cryptocaryalactone, a natural product with anti‐germinative activity.
Phosphorylation‐Responsive Membrane Transport of Peptides
Authors: Peng Shu , Barba‐Bon Andrea , Pan Yu‐Chen , Nau Werner M. , Guo Dong‐Sheng , Hennig Andreas 
Published: October 2017

AbstractPhosphorylation and dephosphorylation of peptides by kinases and phosphatases is essential for signal transduction in biological systems, and many diseases involve abnormal activities of these enzymes. Herein, we introduce amphiphilic calixarenes as key components for supramolecular, phosphorylation‐responsive membrane transport systems. Dye‐efflux experiments with liposomes demonstrated that calixarenes are highly active counterion activators for established cell‐penetrating peptides, with EC50 values in the low nanomolar range. We have now found that they can even activate membrane transport of short peptide substrates for kinases involved in signal transduction, whereas the respective phosphorylated products are much less efficiently transported. This allows regulation of membrane transport activity by protein kinase A (PKA) and protein kinase C (PKC), as well as monitoring of their activity in a label‐free kinase assay.
Selective Radical Fluorination of Tertiary Alkyl Halides at Room Temperature
Authors: Chen He , Liu Zhonglin , Lv Ying , Tan Xinqiang , Shen Haigen , Yu Hai‐Zhu , Li Chaozhong 
Published: October 2017

AbstractDirect fluorination of tertiary alkyl bromides and iodides with Selectfluor is described. The halogen‐exchange fluorination proceeds efficiently in acetonitrile at room temperature under metal‐free conditions and exhibits a wide range of functional group compatibility. Furthermore, the reactions are highly selective in that alkyl chlorides and primary and secondary alkyl bromides remain intact. A radical mechanism is proposed for this selective fluorination.
O2 Activation on Ceria Catalysts—The Importance of Substrate Crystallographic Orientation
Authors: Yang Chengwu , Yu Xiaojuan , Heißler Stefan , Weidler Peter G. , Nefedov Alexei , Wang Yuemin , Wöll Christof , Kropp Thomas , Paier Joachim , Sauer Joachim 
Published: October 2017

AbstractAn atomic‐level understanding of dioxygen activation on metal oxides remains one of the major challenges in heterogeneous catalysis. By performing a thorough surface‐science study of all three low‐index single‐crystal surfaces of ceria, probably the most important redox catalysts, we provide a direct spectroscopic characterization of reactive dioxygen species at defect sites on the reduced ceria (110) and (100) surfaces. Surprisingly, neither of these superoxo and peroxo species was found on ceria (111), the thermodynamically most stable surface of this oxide. Applying density functional theory, we could relate these apparently inconsistent findings to a sub‐surface diffusion of O vacancies on (111) substrates, but not on the less‐closely packed surfaces. These observations resolve a long standing debate concerning the location of O vacancies on ceria surfaces and the activation of O2 on ceria powders.
CODH‐IV: A High‐Efficiency CO‐Scavenging CO Dehydrogenase with Resistance to O2
Authors: Domnik Lilith , Merrouch Meriem , Goetzl Sebastian , Jeoung Jae‐Hun , Léger Christophe , Dementin Sébastien , Fourmond Vincent , Dobbek Holger 
Published: October 2017

AbstractCO dehydrogenases (CODHs) catalyse the reversible conversion between CO and CO2. Genomic analysis indicated that the metabolic functions of CODHs vary. The genome of Carboxydothermus hydrogenoformans encodes five CODHs (CODH‐I–V), of which CODH‐IV is found in a gene cluster near a peroxide‐reducing enzyme. Our kinetic and crystallographic experiments reveal that CODH‐IV differs from other CODHs in several characteristic properties: it has a very high affinity for CO, oxidizes CO at diffusion‐limited rate over a wide range of temperatures, and is more tolerant to oxygen than CODH‐II. Thus, our observations support the idea that CODH‐IV is a CO scavenger in defence against oxidative stress and highlight that CODHs are more diverse in terms of reactivity than expected.
Spectroscopic studies, structural characterization and electrochemical studies of two cobalt (III) complexes with tridentate hydrazone Schiff base ligands: Evaluation of antibacterial activities, DNA‐binding, BSA interaction and molecular docking
Authors: Fekri Roghayeh , Salehi Mehdi , Asadi Asadollah , Kubicki Maciej 
Published: October 2017

Co(III) complexes of tridentate Schiff base ligands derived from N‐(2‐hydroxybenzylideneamino)benzamide (H2L1) and 2‐(2‐hydroxybenzylidene)hydrazine‐1‐carboxamide (H2L2) were synthesized and characterized using IR, Raman, 1H–NMR and UV–Vis spectroscopies. X‐ray single crystal structures of complexes 1 and 2 have also been determined, and it was indicated that these Co(III) complexes are in a distorted octahedral geometry. The cyclic voltammetry (CV) of the complexes indicates an irreversible redox behavior for both complexes 1 and 2. The antibacterial effects of the synthesized compounds have been tested by minimum inhibitory concentration and minimum bactericidal concentration methods, which suggested that the metal complexes exhibit better antibacterial effects than the ligands against Gram‐positive bacteria. The effects of the drug (drug  =  ligands and complexes) on bovine serum albumin (BSA) were examined using circular dichroism (CD) spectropolarimetry, and it was revealed that the BSA (BSA, as a carrier protein) secondary structure changed in the presence of the drug. Interaction of the drug with calf‐thymus DNA (CT‐DNA) was investigated by UV–Vis absorption, fluorescence emission, CV and CD spectroscopy. Binding constants were determined using UV–Vis absorption. The results indicated that the studied Schiff bases bind to DNA, with the hyperchromic effect and non‐intercalative mode in which the metal complexes are more effective than ligands. Furthermore, molecular docking simulation was used to obtain the energetic and binding sites for the interaction of the complexes with Mycobacterium tuberculosis enoyl‐acyl carrier protein reductase (InhA), and results showed that complex 1 has more binding energy.
Three‐dimensional coordination polymers based on trimethyltin cation with nicotinic and isonicotinic acids as anticancer agents
Authors: Etaiw Safaa El‐din H. , Fayed Tarek A. , El‐bendary Mohamed M. , Marie Hassan 
Published: October 2017

Two new coordination polymers, namely [Me3Sn(INA)] (CP1) and [Me3Sn(NA)] (CP2), where INA = isonicotinic acid and NA = nicotinic acid, were characterized using infrared, UV–visible and NMR spectroscopies, thermogravimetric analysis and single‐crystal X‐ray analyses. The structure of CP1 consists of a one‐dimensional coordinated chain which is further extended creating a two‐dimensional layer via hydrogen bonds. The two‐dimensional layers propagate along the corresponding planes creating a three‐dimensional framework by hydrogen bonding and edge‐to‐face π–π stacking. The asymmetric unit of CP2 contains one tin atom and one NA ligand exhibiting 1:1 stoichiometry. The structure of CP2 extends through coordination bonds to form a one‐dimensional zigzag chain which further extends to create a three‐dimensional network via crossing chains and hydrogen bonds. The tin atoms acquire distorted trigonal bipyramid (TBPY‐5) geometry. CP1 and CP2 were designed to investigate their cytotoxic properties against various human cancer cell lines: hepatocellular carcinoma, mammary gland breast cancer, human prostate cancer and colorectal carcinoma. The compounds are good anticancer agents against the tested cell lines. Also they were screened for their antioxidant, anti‐haemolytic, antibacterial and antifungal activities.
Oil absorption performance of polymer/clay aerogel materials
Authors: Al‐Biloushi Mohammad I. , Milliman Henry , Gawryla Matthew D. , Schiraldi David A. 
Published: October 2017

ABSTRACTOil absorption performance of aerogels produced from poly(amide‐imides), epoxies, and acrylic polymers were dependent upon freezing conditions, which in turn dictated solid state structures of these materials. Denser aerogels have less void space, and are more efficient at filling that space with oil, supporting the hypothesis that capillary spacing plays a vital role in determining oil absorption. Lower molecular weight epoxy‐based polymers produced aerogels with small capillary radii, again allowing increasing amounts of the liquid to penetrate between the aerogel layers. Aerogels produced from acrylic emulsions outperformed the other two systems tested in terms of volume per volume absorption. The initial difficulty with these materials, the fact that they still retain some hydrophilicy and absorb water, was overcome by simple post curing treatment, which was able to reduce water absorption to near zero levels. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45844.
Diving back in time: Extending historical baselines for yelloweye rockfish with Indigenous knowledge
Authors: Eckert Lauren E. , Ban Natalie C. , Frid Alejandro , McGreer Madeleine 
Published: October 2017

Abstract

Ocean systems, and the culturally and commercially important fishes that inhabit them, face growing threats. Increasingly, unconventional data sources are being used to inform fisheries research and management for data‐poor species.
Listed as a species of special concern in Canada, yelloweye rockfish (Sebastes ruberrimus) are vulnerable to exploitation, and have historical and cultural value to Indigenous people. In this study, Indigenous fishers of British Columbia, Canada, were interviewed and asked about observed changes to the body sizes (length) and abundance of this species over the last ~60 years, and the factors driving these changes. Their current and historical estimates of size and abundance were compared with current biological survey data.
Forty‐two semi‐directed interviews were carried out and 89% of respondents observed a decrease in yelloweye rockfish body sizes since the 1980s. The median historical (1950s–1980s) length was 84 cm, compared with the median modern (2010–2015) length of 46 cm. All but one respondent reported substantial decrease in yelloweye rockfish abundance since their earliest fishing experiences (1950s to1980s, depending on participant's age), with a third suggesting the change was most evident in the early 2000s, followed by the 1980s (21%) and 1990s (17%).
Sizes of modern yelloweye rockfish estimated by participants resembled estimates derived from ecological data recorded concurrently at the study region.
This study illustrates a repeatable method for using traditional and local knowledge to extend baselines for data‐poor species, and highlights the value of integrating Indigenous knowledge into fisheries research and management.
Sterol content in the artificial diet of Mythimna separata affects the metabolomics of Arma chinensis (Fallou) as determined by proton nuclear magnetic resonance spectroscopy
Authors: Guo Yi , Liu Chen‐xi , Zhang Li‐sheng , Wang Meng‐qing , Chen Hong‐yin 
Published: October 2017

AbstractInsects cannot synthesize sterols and must obtain them from plants. Therefore, reducing plant sterol content or changing sterol type might be an effective pest control strategy. However, the impacts of these changes on pests’ natural predators remain unknown. Here, we fed artificial diets with reduced sterol content to Mythimna separata (Walker) (Lepidoptera: Noctuidae) and investigated the effects on its natural predator, Arma chinensis (Fallou) (Hemiptera: Pentatomidae). Reduced sterol content in M. separata (MS1, MS2, and MS5) was achieved by feeding them artificial diets prepared from a feed base subjected to one, two, or five cycles of sterol extractions, respectively. The content of most substances increased in A. chinensis (AC) groups feeding on MS2 and MS5. The content of eight substances (alanine, betaine, dimethylamine, fumarate, glutamine, glycine, methylamine, and sarcosine) differed significantly between the control (AC0) and treated (AC1, AC2, and AC5) groups. Metabolic profiling revealed that only AC5 was significantly distinct from AC0; the major substances contributing to this difference were maltose, glucose, tyrosine, proline, O‐phosphocholine, glutamine, allantoin, lysine, valine, and glutamate. Furthermore, only two metabolic pathways, that is, nicotinate and nicotinamide metabolism and ubiquinone and other terpenoid‐quinone biosynthesis, differed significantly between AC1 and AC5 and the control, albeit with an impact value of zero. Thus, the sterol content in the artificial diet fed to M. separata only minimally affected the metabolites and metabolic pathways of its predator A. chinensis, suggesting that A. chinensis has good metabolic self‐regulation with high resistance to sterol content changes.
Development of a Sensitive Microarray Platform for the Ranking of Galectin Inhibitors: Identification of a Selective Galectin‐3 Inhibitor
Authors: Dion Johann , Advedissian Tamara , Storozhylova Nataliya , Dahbi Samir , Lambert Annie , Deshayes Frédérique , Viguier Mireille , Tellier Charles , Poirier Françoise , Téletchéa Stéphane , Dussouy Christophe , Tateno Hiroaki , Hirabayashi Jun , Grandjean Cyrille 
Published: October 2017

AbstractGlycan microarrays are useful tools for lectin glycan profiling. The use of a glycan microarray based on evanescent‐field fluorescence detection was herein further extended to the screening of lectin inhibitors in competitive experiments. The efficacy of this approach was tested with 2/3′‐mono‐ and 2,3′‐diaromatic type II lactosamine derivatives and galectins as targets and was validated by comparison with fluorescence anisotropy proposed as an orthogonal protein interaction measurement technique. We showed that subtle differences in the architecture of the inhibitor could be sensed that pointed out the preference of galectin‐3 for 2′‐arylamido derivatives over ureas, thioureas, and amines and that of galectin‐7 for derivatives bearing an α substituent at the anomeric position of glucosamine. We eventually identified a diaromatic oxazoline as a highly specific inhibitor of galectin‐3 versus galectin‐1 and galectin‐7.
Why run the risk? Motivation for offences by patients with substance use and antisocial personality disorders which they rated as most risky to their own well‐being
Authors: Thylstrup Birgitte , Hesse Morten 
Published: October 2017

AbstractBackgroundUnderstanding motives for offending is important for the development and delivery of effective interventions.AimsTo explore associations between variables with motivational implications and the offence committed in the past year rated by people with antisocial personality disorder and substance use disorder as putting them and their status at most risk.MethodsParticipants were 127 outpatients from a sample recruited for a pragmatic randomised controlled trial of an intervention for adults attending substance abuse treatment clinics in 13 municipalities in Denmark. Motives for offending were assessed on one occasion, using the Offending Motivation Questionnaire, aggression was assessed using the Buss–Perry Aggression Questionnaire and substance‐related problems, including mental state difficulties, were assessed using the Substance Use Risk Profile.ResultsAttributing offending to provocation, excitement or financial gain differed substantially by type of offence, whereas attribution of offending to compliance did not. Personality scale scores were associated with attributing offences to provocation, excitement or compliance but not with financial gain.ConclusionsMotives for offending among substance users with antisocial personality disorder must be understood both in light of the type of offence and personality traits. Offending behaviour prevention strategies that draw on these distinctions, run in parallel to treatment for substance use, could improve reduction in recidivism. Copyright © 2017 John Wiley & Sons, Ltd.
Copper Photosensitizers Containing P^N Ligands and Their Influence on Photoactivity and Stability
Authors: Giereth Robin , Frey Wolfgang , Junge Henrik , Tschierlei Stefanie , Karnahl Michael 
Published: October 2017

AbstractDriven by the intention to improve classic heteroleptic copper photosensitizers two novel Cu(I) complexes applying a hetero‐bidentate P^N ligand were prepared. A combined photophysical, electrochemical, and theoretical study gives insights into structure–activity relationships and revealed an increased absorptivity. Both complexes were tested for the light‐driven production of H2.
CaB2S4O16: A Borosulfate Exhibiting a New Structure Type with Phyllosilicate Analogue Topology
Authors: Bruns Jörn , Podewitz Maren , Schauperl Michael , Joachim Bastian , Liedl Klaus R. , Huppertz Hubert 
Published: October 2017

AbstractThe reaction of Ca(CO3) with H3BO3 in oleum (20 % SO3) yielded colorless single‐crystals of CaB2S4O16 (monoclinic, P21/c, a=5.5188(2), b=15.1288(6), c=13.2660(6) Å, β=92.88(1)°, V=1106.22(8) Å3). X‐ray single‐crystal structure analysis revealed a phyllosilicate‐analogue anionic sub‐structure, forming 2D infinite anionic layers, which exhibit an unprecedented arrangement of condensed twelve‐membered (zwölfer) and four‐membered (vierer) rings of corner‐shared (SO4) and (BO4) tetrahedra. Charge compensation is achieved by Ca2+ cations, residing exclusively above the centers of the twelve‐membered rings. DFT investigations on the solid‐state structure corroborate the experimental findings and allow for a detailed valuation of charge distribution within the anionic network and an assignment of vibrational frequencies.
Enantiopurity and absolute configuration determination of arene cis‐dihydrodiol metabolites and derivatives using chiral boronic acids
Authors: Boyd Derek R. , Sharma Narain D. , Goodrich Peter A. , Malone John F. , McConville Gareth , Harrison John S. , Stevenson Paul J. , Allen Christopher C.R. 
Published: October 2017

AbstractThe relative merits of the methods employed to determine enantiomeric excess (ee) values and absolute configurations of chiral arene and alkene cis‐1,2‐diol metabolites, including boronate formation, using racemic or enantiopure (+) and (−)‐2‐(1‐methoxyethyl)phenylboronic acid (MEPBA), are discussed. Further applications of: 1) MEPBA derived boronates of chiral mono‐ and poly‐cyclic arene cis‐dihydrodiol, cyclohex‐2‐en‐1‐one cis‐diol, heteroarene cis/trans‐2,3‐diol, and catechol metabolites in estimating their ee values, and 2) new chiral phenylboronic acids, 2‐[1‐methoxy‐2,2‐dimethylpropyl]phenyl boronic acid (MDPBA) and 2‐[1‐methoxy‐1‐phenylmethyl]phenyl boronic acid (MPPBA) and their advantages over MEPBA, as reagents for stereochemical analysis of arene and alkene cis‐diol metabolites, are presented.
Preventive effects of mouthguard use while sleeping on recurrent aphthous stomatitis: Preliminary interventional study
Authors: Tada Hidesuke , Fujiwara Natsumi , Tsunematsu Takaaki , Tada Yoshiko , Arakaki Rieko , Tamaki Naofumi , Ishimaru Naozumi , Kudo Yasusei 
Published: October 2017

AbstractRecurrent aphthous stomatitis (RAS) is the most common inflammatory ulceration in the oral mucosa of otherwise healthy individuals and is often accompanied by severe pain. However, the etiology of RAS is not completely understood, and currently, no therapy can completely prevent RAS recurrence. In our clinical experience, we noticed that patients using a night guard, which is often used for bruxism treatment, did not develop RAS. Therefore, the aim of this study was to determine whether mouthguard use can suppress RAS development. The cohort of this interventional, prospective, single‐center, and self‐controlled study included 20 subjects who developed RAS at least once a month. The oral health of all the subjects was recorded for 60 days before and after intervention with a mouthguard. The average number of RAS incidences decreased from 5.5 to 1.0, the average days until healing decreased from 7.3 to 5.6, and the period with RAS decreased from 31.5 to 5.0 with mouthguard use. Mouthguard use may be beneficial for preventing RAS development.