bluuebunny/crossref_metadata_2025_split huggingface dataset:
Oxidative C−C Cleavage of Ketols over Vanadium–Carbon Catalysts
Authors: Nakagawa Yoshinao , Sekine Dai , Obara Naoyuki , Tamura Masazumi , Tomishige Keiichi 
Published: May 2017

AbstractThe oxidation of 2‐hydroxycyclohexanone and carbohydrates to adipic acid and formic acid, respectively, was performed with a combination of a vanadium catalyst, carbon as the cocatalyst, and O2 in water under mild conditions (353 K, 0.1–0.3 MPa). The catalytic activity of aqueous V2O5 was increased significantly by the addition of activated carbon (C), whereas the addition of carbon black, graphene oxide, and carbon nanotubes has a much smaller effect. UV/Vis and inductively coupled plasma optical emission spectroscopy were used to show that most VV species are adsorbed on C at least in a short reaction time. The VIV species (VO2+) was not adsorbed on C. The order of activity of vanadium species was VV on C>dissolved free VV≫dissolved free VIV. To help the oxidation of VIV, the further addition of phosphomolybdate (PMo12O403−; PMo) was also tested, and the activity was improved. The selectivity and yield of adipic acid from 2‐hydroxycyclohexanone was also improved slightly by the addition of PMo. However, in the oxidation of glucose, the addition of PMo did not improve the final formic acid yield. The oxidation of glucose with the V+C system gave a 42 % yield of formic acid, which was comparable to the values reported with a more expensive PVMo polyoxometalate catalyst. A reaction mechanism is proposed in which the reversibly formed “biradical” state of the vanadium ketol complex reacts with O2 and accompanying rearrangement dissociates the C−C bond.
Inline Determination of Aqueous Diglycolamines CO2 Loading in Dependence of the Viscosity and Temperature
Authors: Köhler Martin , Schwarze Louisa , Ohle Andrea , Mollekopf Norbert 
Published: May 2017

AbstractDie CO2‐Beladung eines Waschmittels (WM) ist bei der Beurteilung der Effizienz eines Absorptions‐/Desorptionsprozesses von entscheidender Bedeutung. Die Bestimmung über Inline‐Messverfahren ist jedoch kaum möglich. Eine Korrelation zur Bestimmung der CO2‐Beladung in Abhängigkeit von der WM‐Viskosität und ‐Temperatur wurde experimentell ermittelt. Die Korrelation konnte durch Kontrollmessungen und den Vergleich mit Literaturwerten verifiziert werden. Es ergab sich eine relative Abweichung von unter 10 %. Gleichzeitig wurde untersucht, ob der pH‐Wert und die elektrische Leitfähigkeit des WM ebenfalls geeignete Größen für eine Korrelation sind.
Experimental Investigation of the Reaction Network of Ethene to Propene over Ni/AlMCM‐41 Catalysts
Authors: Perea Leo Alvarado , Felischak Matthias , Wolff Tanya , Hamel Christof , Seidel‐Morgenstern Andreas 
Published: May 2017

AbstractThe reaction network of the ethene‐to‐propene (ETP) reaction over Ni/AlMCM‐41 catalysts was studied. This reaction consists of the dimerization of ethene, the isomerization of 1‐butene, and the metathesis of ethene and 2‐butene to propene. This work focused on the latter. ETP experiments followed by in situ diffuse reflectance infrared Fourier transform spectroscopy were carried out. Metathesis activities were evaluated by the isomerization of butenes, the metathesis of ethene and 2‐butene, and the retro‐metathesis of propene. Metathesis activities of Ni/AlMCM‐41 catalysts were not observed. Thus, a conjunct polymerization of ethene to propene is proposed.
Bioscouring and bleaching of knitted cotton fabrics in one‐step process using enzymatically generated hydrogen peroxide
Authors: Reis Crisleine Zottis , Fogolari Odinei , Oliveira Débora , de Arruda Guelli Ulson de Souza Selene Maria , de Souza Antônio Augusto Ulson 
Published: May 2017

AbstractThis research involves the study of knitted cotton fabric bleaching using hydrogen peroxide generated enzymatically. Initially the bioscouring was performed using the enzymes cellulose (EC. 3.2.1.4), pectinase (EC. 4.2.2.2), and lipase (EC. 3.1.1.3) to remove impurities. Then bleaching was performed using hydrogen peroxide, which was enzymatically produced by glucose oxidase (EC. 1.1.3.4) during oxidation of glucose. The generation of hydrogen peroxide and bleaching were assessed using experimental designs, where it was observed that the most significant effect to generate peroxide was time and for bleaching was the concentration of hydrogen peroxide. The whiteness and hydrophilicity of the treated knitted fabric were evaluated. The whiteness index of the enzymatically bleached fabric was 52 ± 1 °Berger with good hydrophilicity, by capillarity method 5.2 cm in 10 min. The results from this work demonstrate that this process can be an alternative for the textile preparation industry. There is a large reduction in water consumption compared to the conventional process. The water consumption is four times lower than the water consumption of the conventional process.
Conjugate Hydrocyanation of Chalcone Derivatives Using Ethyl Cyanoacetate as an Organic Cyanide Source
Authors: Li Zheng , Yin Junjun 
Published: May 2017

AbstractThe conjugate hydrocyanation of chalcone derivatives using ethyl cyanoacetate as an organic cyanide source at room temperature under open air and transition metal‐free conditions was described. The protocol has advantages of using relatively cheap, less toxic, stable and easy‐to‐handle cyanating reagent, high yield, and mild reaction condition.
KI Catalyzed Nitrogenation of Aldehydes and Alcohols: Direct Synthesis of Carbamoyl Azides and Ureas
Authors: Song Song , Feng Peng , Zou Miancheng , Jiao Ning 
Published: May 2017

AbstractAn efficient KI catalyzed nitrogenation of aldehydes and alcohols for the direct synthesis of carbamoyl azides and ureas via a radical process has been developed. The simple operating procedures, the readily available starting materials including aldehydes, alcohols and amines, as well as the utility of the products all make this strategy very attractive.
Rational Design and Synthesis of 1‐(Arylideneamino)‐4‐aryl‐1H‐imidazole‐2‐amine Derivatives as Antiplatelet Agents
Authors: Amidi Salimeh , Esfahanizadeh Marjan , Tabib Kimia , Soleimani Zohreh , Kobarfard Farzad 
Published: May 2017

AbstractBased on previous studies indicating the pharmacophoric role of a hydrazone group and azole rings for antiplatelet aggregation activity, a few series of compounds with both hydrazone and an azole (imidazole) ring in their structures were synthesized, and their platelet aggregation inhibitory effects were evaluated. Two of these 1‐(arylideneamino)‐4‐aryl‐1H‐imidazole‐2‐amine derivatives, compounds 4 a [(E)‐1‐(benzylideneamino)‐4‐phenyl‐1H‐imidazol‐2‐amine] and 4 p [(E)‐4‐phenyl‐1‐((thiophen‐2‐ylmethylene)amino)‐1H‐imidazol‐2‐amine], exhibited IC50 values similar to that of acetylsalicylic acid against collagen as a platelet aggregation inducer. Structural comparison of the synthesized compounds revealed that those with a para‐substituted phenyl ring on the imidazole were among the most active compounds against platelet aggregation induced by arachidonic acid (AA), and the presence of a thiophene ring in these compounds maximized their antiplatelet activity.
Contribution of patient, physician, and environmental factors to demographic and health variation in colonoscopy follow‐up for abnormal colorectal cancer screening test results
Authors: Partin Melissa R. , Gravely Amy A. , Burgess James F. , Haggstrom David A. , Lillie Sarah E. , Nelson David B. , Nugent Sean M. , Shaukat Aasma , Sultan Shahnaz , Walter Louise C. , Burgess Diana J. 
Published: May 2017

BACKGROUNDPatient, physician, and environmental factors were identified, and the authors examined the contribution of these factors to demographic and health variation in colonoscopy follow‐up after a positive fecal occult blood test/fecal immunochemical test (FOBT/FIT) screening.METHODSIn total, 76,243 FOBT/FIT‐positive patients were identified from 120 Veterans Health Administration (VHA) facilities between August 16, 2009 and March 20, 2011 and were followed for 6 months. Patient demographic (race/ethnicity, sex, age, marital status) and health characteristics (comorbidities), physician characteristics (training level, whether primary care provider) and behaviors (inappropriate FOBT/FIT screening), and environmental factors (geographic access, facility type) were identified from VHA administrative records. Patient behaviors (refusal, private sector colonoscopy use) were estimated with statistical text mining conducted on clinic notes, and follow‐up predictors and adjusted rates were estimated using hierarchical logistic regression.RESULTSRoughly 50% of individuals completed a colonoscopy at a VHA facility within 6 months. Age and comorbidity score were negatively associated with follow‐up. Blacks were more likely to receive follow‐up than whites. Environmental factors attenuated but did not fully account for these differences. Patient behaviors (refusal, private sector colonoscopy use) and physician behaviors (inappropriate screening) fully accounted for the small reverse race disparity and attenuated variation by age and comorbidity score. Patient behaviors (refusal and private sector colonoscopy use) contributed more to variation in follow‐up rates than physician behaviors (inappropriate screening).CONCLUSIONSIn the VHA, blacks are more likely to receive colonoscopy follow‐up for positive FOBT/FIT results than whites, and follow‐up rates markedly decline with advancing age and comorbidity burden. Patient and physician behaviors explain race variation in follow‐up rates and contribute to variation by age and comorbidity burden. Cancer 2017;123:3502‐12. Published 2017. This article is a US Government work and is in the public domain in the USA.
Noncovalent Interactions between Dopamine and Regular and Defective Graphene
Authors: Fernández Ana C. Rossi , Castellani Norberto J. 
Published: May 2017

AbstractThe role of noncovalent interactions in the adsorption of biological molecules on graphene is a subject of fundamental interest regarding the use of graphene as a material for sensing and drug delivery. The adsorption of dopamine on regular graphene and graphene with monovacancies (GV) is theoretically studied within the framework of density functional theory. Several adsorption modes are considered, and notably those in which the dopamine molecule is oriented parallel or quasi‐parallel to the surface are the more stable. The adsorption of dopamine on graphene implies an attractive interaction of a dispersive nature that competes with Pauli repulsion between the occupied π orbitals of the dopamine ring and the π orbitals of graphene. If dopamine adsorbs at the monovacancy in the A–B stacking mode, a hydrogen bond is produced between one of the dopamine hydroxy groups and one carbon atom around the vacancy. The electronic charge redistribution due to adsorption is consistent with an electronic drift from the graphene or GV surface to the dopamine molecule.
On the relationships between DSM‐5 dysfunctional personality traits and social cognition deficits: A study in a sample of consecutively admitted Italian psychotherapy patients
Authors: Fossati Andrea , Somma Antonella , Krueger Robert F. , Markon Kristian E. , Borroni Serena 
Published: May 2017

This study aims at testing the hypothesis that the Diagnostic and Statistical Manual of Mental Disorders fifth edition (DSM‐5) alternative model of personality disorder (AMPD) traits may be significantly associated with deficits on 2 different social cognition tasks, namely, the Reading the Mind in the Eyes Test and the Movie for the Assessment of Social Cognition, in a sample of consecutively admitted inpatients and outpatients. The sample was composed of 181 consecutively admitted participants (57.5% women; mean age = 38.58 years). Correlation coefficients and partial correlation coefficients were computed in order to assess the associations among social cognition tasks, DSM‐5 AMPD traits, and dimensionally assessed DSM‐5 Section II personality disorders. Specific maladaptive traits listed in the DSM‐5 AMPD were significantly associated with Reading the Mind in the Eyes Test scores and Movie for the Assessment of Social Cognition scores, even when the effect of selected DSM‐5 Section II personality disorders was controlled for. Our results support the relevance of studying social cognitive functioning in subjects suffering from personality disorders.
Managing a Company Crisis through Strategic Corporate Social Responsibility: A Practice‐Based Analysis
Authors: Vallaster Christine 
Published: May 2017

AbstractA growing number of companies focus not just on generating economic value but on expanding their perspective, including social, human, and environmental aspects. Historically, companies mainly included corporate social responsibility (CSR) in their activities in economically promising times. But can CSR be applied in economically difficult times, too, as a potential strategic mechanism to recover from a company crisis? This study aims to advance understanding of strategic CSR and crisis recovery, and their possible relationship. The case study's findings suggest that strategic CSR can have a positive impact on crisis recovery and promote the revision of established practices required to manage a company crisis. The findings have relevance to companies seeking to innovate in the CSR space, to social entrepreneurs, and to researchers and practitioners interested in these topics. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Body shape differences in a pair of closely related Malawi cichlids and their hybrids: Effects of genetic variation, phenotypic plasticity, and transgressive segregation
Authors: Husemann Martin , Tobler Michael , McCauley Cagney , Ding Baoqing , Danley Patrick D. 
Published: May 2017

AbstractPhenotypic differences may have genetic and plastic components. Here, we investigated the contributions of both for differences in body shape in two species of Lake Malawi cichlids using wild‐caught specimens and a common garden experiment. We further hybridized the two species to investigate the mode of gene action influencing body shape differences and to examine the potential for transgressive segregation. We found that body shape differences between the two species observed in the field are maintained after more than 10 generations in a standardized environment. Nonetheless, both species experienced similar changes in the laboratory environment. Our hybrid cross experiment confirmed that substantial variation in body shape appears to be genetically determined. The data further suggest that the underlying mode of gene action is complex and cannot be explained by simple additive or additive‐dominance models. Transgressive phenotypes were found in the hybrid generations, as hybrids occupied significantly more morphospace than both parentals combined. Further, the body shapes of transgressive individuals resemble the body shapes observed in other Lake Malawi rock‐dwelling genera. Our findings indicate that body shape can respond to selection immediately, through plasticity, and over longer timescales through adaptation. In addition, our results suggest that hybridization may have played an important role in the diversification of Lake Malawi cichlids through creating new phenotypic variation.
No evidence for adaptation to local rhizobial mutualists in the legume Medicago lupulina
Authors: Harrison Tia L. , Wood Corlett W. , Borges Isabela L. , Stinchcombe John R. 
Published: May 2017

AbstractLocal adaptation is a common but not ubiquitous feature of species interactions, and understanding the circumstances under which it evolves illuminates the factors that influence adaptive population divergence. Antagonistic species interactions dominate the local adaptation literature relative to mutualistic ones, preventing an overall assessment of adaptation within interspecific interactions. Here, we tested whether the legume Medicago lupulina is adapted to the locally abundant species of mutualistic nitrogen‐fixing rhizobial bacteria that vary in frequency across its eastern North American range. We reciprocally inoculated northern and southern M. lupulina genotypes with the northern (Ensifer medicae) or southern bacterium (E. meliloti) in a greenhouse experiment. Despite producing different numbers of root nodules (the structures in which the plants house the bacteria), neither northern nor southern plants produced more seeds, flowered earlier, or were more likely to flower when inoculated with their local rhizobia. We then used a pre‐existing dataset to perform a genome scan for loci that showed elevated differentiation between field‐collected plants that hosted different bacteria. None of the loci we identified belonged to the well‐characterized suite of legume–rhizobia symbiosis genes, suggesting that the rhizobia do not drive genetic divergence between M. lupulina populations. Our results demonstrate that symbiont local adaptation has not evolved in this mutualism despite large‐scale geographic variation in the identity of the interacting species.
Non‐enzymatic Electrochemical Sensor for the Simultaneous Determination of Xanthine, its Methyl Derivatives Theophylline and Caffeine as well as its Metabolite Uric Acid
Authors: Jesny S. , Girish Kumar K. 
Published: May 2017

AbstractXanthine and its methyl derivatives, theophylline and caffeine are purines which find important roles in biological systems. The simultaneous voltammetric behaviour of these purines has been studied on a glassy carbon electrode modified with an electropolymerised film of para amino benzene sulfonic acid. Well defined and well separated peaks were obtained for the oxidation of xanthine, theophylline and caffeine on the polymer modified electrode in the square wave mode. The experimental requirements to obtain the best results for individual as well as simultaneous determination were optimised. The signal for the electro‐oxidation was found to be free of interferences from each other in the range 0.9 – 100 μM in the case of xanthine and from 10–100 μM in the case of theophylline and caffeine with detection limits 0.35 μM, 7.02 μM and 11.95 μM respectively. The simultaneous determination of uric acid, the final metabolic product of xanthine oxidation in biological systems could also be accomplished along with xanthine, theophylline and caffeine atphysiological pH. The mechanistic aspects of the electro‐oxidation on the polymer modified electrode was also studied using linear sweep voltammetry. Chronoamperometry was employed to determine the diffusion coefficient of these xanthines. The developed sensor has been successfully demonstrated to be suitable for the determination of these compounds in real samples without much pre‐treatment.
Square‐wave Voltammetric Determination of Propyphenazone, Paracetamol, and Caffeine: Comparative Study between Batch Injection Analysis and Conventional Electrochemical Systems
Authors: Silva Weberson P. , Silva Luiz A. J. , França Clarice H. , Sousa Raquel M. F. , Muñoz Rodrigo A. A. , Richter Eduardo M. 
Published: May 2017

AbstractIn this work, the performance of two methods for simultaneous determination of propyphenazone (PRO), paracetamol (PAR), and caffeine (CAF) were compared. One is based on the use of a conventional electrochemical cell (steady‐state condition) and the other on the use of a batch injection analysis (BIA) cell; both systems were associated with square‐wave voltammetric detection (SWV). Three well separated (▵E ≥ 0.25 V) oxidation peaks were obtained for PRO, PAR, and CAF using 0.1 mol L−1 H2SO4 as electrolyte and a boron‐doped diamond (BDD) as working electrode. In addition, the electrochemical oxidation mechanism of PRO is being proposed for the first time. The average relative standard deviations of CB and BIA methods were 4.1 % and 3.1 %, respectively. The conventional system presented better limits of detection and the BIA system a significantly greater throughput (four times faster). Statistical comparison between the results obtained with both proposed methods and those obtained by chromatography was carried out and no significant differences were observed (95 % confidence level).
Determination of effective charges and ionic mobilities of polycationic antimicrobial peptides by capillary isotachophoresis and capillary zone electrophoresis
Authors: Tůmová Tereza , Monincová Lenka , Nešuta Ondřej , Čeřovský Václav , Kašička Václav 
Published: May 2017

Capillary ITP (CITP) and CZE were applied to the determination of effective charges and ionic mobilities of polycationic antimicrobial peptides (AMPs). Twelve AMPs (deca‐ to hexadecapeptides) containing three to seven basic amino acid residues (His, Lys, Arg) at variable positions of peptide chain were investigated. Effective charges of the AMPs were determined from the lengths of their ITP zones, ionic mobilities, and molar concentrations, and from the same parameters of the reference compounds. Lengths of the ITP zones of AMPs and reference compounds were obtained from their CITP analyses in cationic mode using leading electrolyte (LE) composed of 10 mM NH4OH, 40 mM AcOH (acetic acid), pH 4.1, and terminating electrolyte (TE) containing 40 mM AcOH, pH 3.2. Ionic mobilities of AMPs and singly charged reference compounds (ammediol or arginine) were determined by their CZE analyses in the BGE of the same composition as the LE. The effective charges numbers of AMPs were found to be in the range 1.65–5.04, i.e. significantly reduced as compared to the theoretical charge numbers (2.86–6.99) calculated from the acidity constants of the analyzed AMPs. This reduction of effective charge due to tightly bound acetate counterions (counterion condensation) was in the range 17–47% depending on the number and type of the basic amino acid residues in the AMPs molecules. Ionic mobilities of AMPs achieved values (26.5‐38.6) × 10−9 m2V−1s−1 and in most cases were in a good agreement with the ratio of their effective charges and relative molecular masses.
Comparison of risk of malignancy in a subgroup with atypia of undetermined significance/follicular lesion of undetermined significance: A meta‐analysis
Authors: Ahn Soon‐Hyun , Kim Seong Dong , Jeong Woo‐Jin 
Published: May 2017

AbstractBackgroundAs heterogeneous findings are included in the atypia of undetermined significance (AUS)/follicular lesion of undetermined significance (FLUS) category, differing risks of malignancy in subgroups have been reported in several articles.MethodsWe performed a meta‐analysis of full‐text publications written in English found in the Embase and PubMed databases.ResultsThe 4‐tiered subgroup proportion meta‐analysis showed that the 95% confidence interval (95% CI) of the risk of malignancy in the cellular atypia group did not overlap with the other 3 subgroups and demonstrated a significant difference. Two‐tiered analysis using the cytologic and architectural atypia groups showed that cytologic atypia group had a 2.64‐fold increase in the risk of malignancy compared with the architectural atypia group.ConclusionThe cytologic atypia had a significantly higher risk of malignancy than the architectural atypia group, and it should be considered as a separate category.