bluuebunny/crossref_metadata_2025_split huggingface dataset:
Teaching college students to pour accurately using behavioral skills training: Evaluation of the effects of peer modeling
Authors: Hankla Molly E. , Kohn Carolynn S. , Normand Matthew P. 
Published: November 2017

Excessive alcohol consumption among college students is a serious problem. Alcohol education courses, during which students are taught to free‐pour accurate servings of alcohol, have been proposed as one strategy to reduce this problem. However, few studies have evaluated the effects of peer models on free‐pour skill maintenance. We used a nonconcurrent multiple‐baseline across subjects design to assess the effects of peer modeling on maintenance of college students' (N = 19) pouring skills of a standard serving of beer immediately following Behavioral Skills Training (BST). Results indicated participants who inaccurately poured a standard serving of beer at baseline (n = 17) accurately poured following receipt of BST, and all participants (N = 19) maintained accurate pouring in the presence of peer confederate models who poured inaccurately or accurately. Results suggest BST is an efficient (i.e., low to no‐cost, requires no sophisticated laboratory space or software, and makes use of available and affordable materials) and effective tool for teaching college students to pour standard servings of beer and that the immediate introduction of inaccurately pouring peer models has little or no effect on skill maintenance.
Sulfanilic acid‐modified chitosan mini‐spheres and their application for lysozyme purification from egg white
Authors: Hirsch Daniela B. , Baieli María F. , Urtasun Nicolás , Lázaro‐ Martínez Juan M. , Glisoni Romina J. , Miranda María V. , Cascone Osvaldo , Wolman Federico J. 
Published: November 2017

A cation exchange matrix with zwitterionic and multimodal properties was synthesized by a simple reaction sequence coupling sulfanilic acid to a chitosan based support. The novel chromatographic matrix was physico‐chemically characterized by ss‐NMR and ζ potential, and its chromatographic performance was evaluated for lysozyme purification from diluted egg white. The maximum adsorption capacity, calculated according to Langmuir adsorption isotherm, was 50.07 ± 1.47 mg g−1 while the dissociation constant was 0.074 ± 0.012 mg mL−1. The process for lysozyme purification from egg white was optimized, with 81.9% yield and a purity degree of 86.5%, according to RP‐HPLC analysis. This work shows novel possible applications of chitosan based materials. The simple synthesis reactions combined with the simple mode of use of the chitosan matrix represents a novel method to purify proteins from raw starting materials. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 34:387–396, 2018
Pseudomonas fluorescensStrain R124 Encodes Three Different MIO Enzymes
Authors: Csuka Pál , Juhász Vivien , Kohári Szabolcs , Filip Alina , Varga Andrea , Sátorhelyi Péter , Bencze László Csaba , Barton Hazel , Paizs Csaba , Poppe László 
Published: November 2017

AbstractA number of class I lyase‐like enzymes, including aromatic ammonia‐lyases and aromatic 2,3‐aminomutases, contain the electrophilic 3,5‐dihydro‐5‐methylidene‐4H‐imidazol‐4‐one (MIO) catalytic moiety. This study reveals thatPseudomonas fluorescensR124 strain isolated from a nutrient‐limited cave encodes a histidine ammonia‐lyase, a tyrosine/phenylalanine/histidine ammonia‐lyase (XAL), and a phenylalanine 2,3‐aminomutase (PAM), and demonstrates that an organism under nitrogen‐limited conditions can develop novel nitrogen fixation and transformation pathways to enrich the possibility of nitrogen metabolism by gaining a PAM through horizontal gene transfer. The novel MIO enzymes are potential biocatalysts in the synthesis of enantiopure unnatural amino acids. The broad substrate acceptance and high thermal stability ofPfXAL indicate that this enzyme is highly suitable for biocatalysis.
Silencing of gelatinase expression delays myoblast differentiation in vitro
Authors: Nowak Eliza , Gawor Marta , Ciemerych Maria Anna , Zimowska Malgorzata 
Published: November 2017

AbstractSkeletal muscle growth and regeneration relies on the activation of muscle specific stem cells, that is, satellite cells. The activation and differentiation of satellite cells into myoblasts, as well as their migration, proliferation, and fusion of mononuclear myoblasts into a functional multi‐nucleated muscle fiber, are associated with extracellular matrix (ECM) protein synthesis and degradation. The extracellular environment is dynamically adapting to the changes accompanying skeletal muscle growth or repair. Enzymes engaged in many biological processes that involve ECM remodeling are matrix metalloproteinases (MMPs). Among metalloproteinases crucial for skeletal muscles are two gelatinases—MMP‐9 and MMP‐2. In the current study we test the effect of silencing the MMP‐9 and MMP‐2 expression on the proliferation and differentiation of in vitro cultured skeletal muscle myoblasts. We show that downregulating gelatinase MMP‐9 expression results in a delayed myoblast differentiation.
Prognostic value of urinary 11‐dehydro‐thromboxane B2 for mortality: A cohort study of stable coronary artery disease patients treated with aspirin
Authors: Vasudevan Anupama , Tecson Kristen M. , Bennett‐Firmin Jeanna , Bottiglieri Teodoro , Lopez Luis R. , Peterson Margarita , Sathyamoorthy Mohanakrishnan , Schiffmann Raphael , Schussler Jeffrey M. , Swift Caren , Velasco Carlos E. , McCullough Peter A. 
Published: November 2017

AbstractAimThere is a variable cardiovascular risk reduction attributable to aspirin because of individual differences in the suppression of thromboxane A2 and its downstream metabolite 11‐dehydro‐thromboxane B2 (11dhTxB2). The aim of this study is to evaluate the optimal cut point of urinary 11dhTxB2 for the risk of mortality in aspirin‐treated coronary artery disease (CAD) patients.Methods and ResultsThis was a prospective cohort study including stable CAD patients who visited the Baylor Heart and Vascular Hospital in Dallas or the Texas Heart Hospital Baylor Plano, TX between 2010 and 2013. The outcome of all‐cause mortality was ascertained from chart review and automated sources.The 449 patients included in this analysis had a mean age of 66.1 ± 10.1 years. 67 (14.9%) patients died within 5 years; 56 (87.5%) of the 64 patients with known cause of death suffered a cardiovascular related mortality. Baseline ln(urinary 11dhTxB2/creatinine) ranged between 5.8 and 11.1 (median = 7.2) with the higher concentrations among those who died (median: 7.6) than those who survived (median = 7.2, P < 0.001). Using baseline ln(11dhTxB2) to predict all‐cause mortality, the area under the curve was 0.70 (95% CI: 0.64–0.76). The optimal cut point was found to be ln(7.38) = 1597.8 pg/mg, which had the following decision statistics: sensitivity = 0.67, specificity = 0.62, positive predictive value = 0.24, negative predictive value = 0.92, and accuracy = 0.63.ConclusionOur data indicate the optimal cut point for urine 11dhTxB2 is 1597.8 (pg/mg) for the risk prediction of mortality over five years in stable patients with CAD patients treated with aspirin.
Development and Elucidation of Superior Turnover Rates and Selectivity of Supported Molecular Catalysts
Authors: Ye Rong , Liu Wen‐Chi , Han Hui‐Ling , Somorjai Gabor A. 
Published: November 2017

AbstractSupported molecular catalysts consist of nanomaterials immobilized on a solid support. Important factors that control catalyst properties (reactivity, product selectivity, and stability) include the structure and compositions of both nanomaterials and supports. This review focuses on recent studies of supported molecular catalysts with controlled activity and selectivity in our group. We will first introduce the development of previously unexplored supported molecular catalysts. We will demonstrate the controllable selectivity of catalysts based on acidified mesoporous silica, metal‐organic frameworks (MOFs), hydrogen‐activated tungsten oxides, and noble metal doped MnxOy/Na2WO4 catalyst supported on mesoporous silica. We will then discuss advanced characterization techniques under reaction conditions, which offer mechanistic explanations of activity and selectivity of supported molecular catalysts. The applications of chemical transient kinetics (CTK) analysis, ambient pressure X‐ray photoelectron spectroscopy (APXPS), and sum‐frequency generation vibrational spectroscopy (SFG‐VS) are discussed. Next, we will describe new insights into catalysis at the nanoparticle‐support interfaces, which are catalytic environments unique to supported molecular catalysts. Examples include reactions at oxide‐metal interfaces and alcohol oxidation reactions at solid–gas and solid–liquid interfaces. Lastly, we will discuss heterogenized homogeneous catalysts and heterogenized enzyme catalysts as future directions of supported molecular catalysts.
Ru–Zn/ZrO2 Nanocomposite Catalysts Fabricated by Galvanic Replacement for Benzene Partial Hydrogenation
Authors: Zhou Gongbing , Wang Hao , Tian Jing , Pei Yan , Fan Kangnian , Qiao Minghua , Sun Bin , Zong Baoning 
Published: November 2017

AbstractA strategy based on galvanic replacement between metallic Zn and Ru salt followed by acid treatment was developed to fabricate supported Ru–Zn/ZrO2 nanocomposite catalysts with controlled contents of Zn for the benzene partial hydrogenation to cyclohexene. The catalysts were systematically characterized by techniques such as extended X‐ray absorption fine structure, X‐ray photoelectron spectroscopy, and transmission electron microscopy. In benzene partial hydrogenation, with the decrease in the content of Zn, the turnover frequency (TOF) of benzene increased monotonically, whereas the selectivity to cyclohexene evolved in a volcanic trend, passing through a maximum of 72 %. Kinetic analysis indicated that with the depletion of Zn, the rate constant for benzene hydrogenation to cyclohexene and that for cyclohexene hydrogenation to cyclohexane increased simultaneously, but the extents of the increments were at variance. It was identified that the ratios of the rate constants were in parallel with the change in the selectivity to cyclohexene, which is attributed to the electronic effect of metallic Zn that modifies the interactions of Ru with benzene and cyclohexene.
Ce1−xCrxO2−δ Nanocrystals as Efficient Catalysts for the Selective Oxidation of Cyclohexane to KA Oil at Low Temperature under Ambient Pressure
Authors: Huang Xiubing , Zhao Guixia , Wang Peng , Zheng Haiyan , Dong Wenjun , Wang Ge 
Published: November 2017

AbstractThe selective oxidation of C−H bonds in saturated hydrocarbons at low temperature with noble‐metal‐free heterogeneous catalysts is a profound challenge for the catalysis community. Here we report the facile synthesis of Ce1−xCrxO2−δ (x=0, 0.1, 0.2, 0.3, and 0.4) nanocrystals through a low‐temperature hydrothermal method. The catalytic activity of the as‐prepared catalysts was evaluated in the selective oxidation of cyclohexane to cyclohexanone/cyclohexanol using H2O2 as an oxidant at room temperature and 45 °C. The activity results were correlated with their phase structure, composition, surface areas, and surface element states with the help of X‐ray diffraction, N2 adsorption, transmission electron microscopy, X‐ray photoelectron spectroscopy, and UV/Vis spectroscopy. It was found that these Ce0.7Cr0.3O2−δ nanocrystals are highly active for the selective oxidation of cyclohexane to cyclohexanone/cyclohexanol using H2O2 as an oxidant at low temperature. In the presence of H2O2 at 45 °C for 5 h using Ce0.7Cr0.3O2−δ as a catalyst, the conversion of cyclohexane reaches 50.3 % and the total selectivity of cyclohexanol/cyclohexanone is 94.4 % with relative good reversibility for at least four cycles. Mechanistic investigation results show that the high activity can be attributed to the high Cr6+ content in the Ce1−xCrxO2−δ solid solutions and the formation of highly oxidative intermediates with H2O2.
Platinum–Copper Rhombic Dodecahedral Nanoframes with Tunable Channels as Efficient Bifunctional Electrocatalysts for Fuel‐Cell Reactions
Authors: Sun Xiuhui , Huang Bin , Cui Xiaoneng , E Bin , Feng Yonggang , Huang Xiaoqing 
Published: November 2017

AbstractThree‐dimensional (3 D) nanoframes (NFs) with interconnected edges and large surface areas represent a new class of nanostructures with advanced catalytic performance. Herein, we report an efficient chemical strategy for the controlled synthesis of platinum–copper (Pt–Cu) rhombic dodecahedral nanocrystals (RDH NCs) with highly composition‐segregated features. These solid Pt–Cu RDH NCs could be readily transformed into highly open Pt–Cu RDH nanoframes (NFs) with shapes and sizes that were not markedly changed after FeCl3 etching. All of the different Pt–Cu RDH NFs have the same PtCu3 phase but tunable sizes and different channel sizes. These important characteristics of the NFs provide them with much better performance than that observed for commercial Pt/C and Pt–Cu RDH NCs towards both the oxygen reduction reaction (ORR) and the methanol oxidation reaction (MOR). In particular, PtCu5 RDH NFs with the largest channel size of all the samples investigated exhibited the best activity towards the ORR and MOR and showed much less activity decay after durability tests. This work highlights the importance of precise control of 3 D NF structures in enhancing electrocatalysis electrooxidations.
Surface Fluorination to Boost the Stability of the Fe/N/C Cathode in Proton Exchange Membrane Fuel Cells
Authors: Wang Yu‐Cheng , Zhu Peng‐Fei , Yang Hong , Huang Long , Wu Qi‐Hui , Rauf Muhammad , Zhang Jun‐Yu , Dong Jiao , Wang Kun , Zhou Zhi‐You , Sun Shi‐Gang 
Published: November 2017

AbstractThe ternary Fe/N/C material is a promising non‐precious‐metal oxygen reduction electrocatalyst for proton exchange membrane cells (PEMFCs). However, its practical application is severely hampered by poor stability under PEMFC working conditions, especially at a cell voltage higher than 0.5 V. Herein, we report a new strategy to significantly improve the stability of the Fe/N/C catalyst in PEMFCs by covalent grafting of a trifluoromethylphenyl (Ar‐CF3) group. The hydrophobic character of Ar‐CF3 can effectively prevent water flooding of the Fe/N/C catalyst layer, and thus form robust mass‐transport channels for gas−liquid two‐phase flow. Simultaneously, both electron‐withdrawing and hydrophobic properties considerably suppress the oxidative corrosion of the carbon matrix that hosts the catalytically active sites. Therefore, fluorinated Fe/N/C could perform stably over 100 h at 0.5 V with a current density of 0.56 A cm−2 in a H2−O2 PEMFC. Even when the cell voltage increased to 0.6 V, only 15 % performance was lost after 100 h operation.
Comparing the Relative Reactivities of Structurally Varied Alcohols toward Electrochemically Generated Superoxide
Authors: Lauw Sherman J. L. , Chiang Zhong , Lee Jazreen H. Q. , Webster Richard D. 
Published: November 2017

AbstractSuperoxide (O2.−) is a free‐radical anion of the reactive oxygen species (ROS) family. In the present study, the relative reactivities of 14 structurally varied aliphatic alcohols toward electrochemically generated O2.− were investigated in solutions of N,N‐dimethylformamide by using cyclic voltammetry (CV). Upon the stepwise addition of each substrate, the chemical reversibility of the one‐electron voltammetric reduction of the dioxygen (O2) to O2.− was found to decrease, which enabled the extent of radical inhibition to be determined by measuring the resultant oxidative peak current (Ipa) magnitudes on the reverse scan of the CV. Based on the electrochemical responses gathered, best fit plots of the percentage decrease in the anodic peak current (%ΔIpa) against the concentration of substrate added were obtained and compared according to the different classes of alcohols that were examined (linear, fluorinated, branched, and poly‐hydroxylated). In addition, different parameters, such as electronic effects, steric effects, degree of hydroxylation, and kinetic effects that affect the O2.− scavenging abilities of the alcohols, are also discussed.
NIR hyperspectral imaging spectroscopy and chemometrics for the discrimination of roots and crop residues extracted from soil samples
Authors: Eylenbosch Damien , Bodson Bernard , Baeten Vincent , Fernández Pierna Juan Antonio 
Published: November 2017

AbstractRoots play a major role in plant development. Their study in field conditions is important to identify suitable soil management practices for sustainable crop productions. Soil coring, which is a common method in root production measurement, is limited in sampling frequency due to the hand‐sorting step. This step, needed to sort roots from other elements extracted from soil cores like crop residues, is time consuming, tedious, and vulnerable to operator ability and subjectivity. To get rid of the cumbersome hand‐sorting step, avoid confusion between these elements, and reduce the time needed to quantify roots, a new procedure, based on near‐infrared hyperspectral imaging spectroscopy and chemometrics, has been proposed. It was tested to discriminate roots of winter wheat (Triticum aestivum L.) from crop residues and soil particles. Two algorithms (support vector machine and partial least squares discriminant analysis) have been compared for discrimination analysis. Models constructed with both algorithms allowed the discrimination of roots from other elements, but the best results were reached with models based on support vector machine. The ways to validate models, with selected spectra or with hyperspectral images, provided different kinds of information but were complementary. This new procedure of root discrimination is a first step before root quantification in soil samples with near‐infrared hyperspectral imaging. The results indicate that the methodology could be an interesting tool to improve the understanding of the effect of tillage or fertilization, for example, on root system development.
A General Asymmetric Formal Synthesis of Aza‐Baylis–Hillman Type Products under Bifunctional Catalysis
Authors: Frías María , Carrasco Ana Cristina , Fraile Alberto , Alemán José 
Published: November 2017

AbstractA new organocatalytic strategy for the synthesis of enantioenriched aza‐Baylis–Hillman type products via a frustrated vinylogous reaction is presented. This process proceeds under mild conditions with good yields, completed Z/E selectivity and excellent enantioselectivities. Moreover, easy derivatizations of the final products led to important building blocks of organic synthesis such as 1,3‐aminoalcohols and Lewis base catalysts.
AquaMMapS: An Alternative Tool to Monitor the Role of Water Molecules During Protein–Ligand Association
Authors: Cuzzolin Alberto , Deganutti Giuseppe , Salmaso Veronica , Sturlese Mattia , Moro Stefano 
Published: November 2017

AbstractUnquestionably, water appears to be an active player in the noncovalent protein–ligand binding process, as it can either bridge interactions between protein and ligand or can be replaced by the bound ligand. Accordingly, in the last decade, alternative computational methodologies have been sought with the aim of predicting the position and thermodynamic profile of water molecules (i.e., hydration sites) in the binding site using either the ligand‐bound or ligand‐free protein conformation. Herein, we present an alternative approach, named AquaMMapS, that provides a three‐dimensional sampling of putative hydration sites. Interestingly, AquaMMapS can post‐inspect molecular dynamics (MD) trajectories obtained from different MD engines using indifferently crystallographic or docking‐driven structures as a starting point. Moreover, AquaMMapS is naturally integrated into supervised molecular dynamics (SuMD) simulations, presenting the possibility to inspect hydration sites during the ligand–protein association process. Finally, a penalty scoring method, named AquaMMapScoring(AMS), was developed to evaluate the number and nature of the water molecules displaced by a ligand approaching its binding site during the binding event, guiding a medicinal chemist to explore the most suitable regions of a ligand that can be decorated either with or without interfering with the interaction networks mediated by water molecules with specific recognition regions of the protein.
Preliminary Evaluation of Artemisinin–Cholesterol Conjugates as Potential Drugs for the Treatment of Intractable Forms of Malaria and Tuberculosis
Authors: Morake Mokhitli , Coertzen Dina , Ngwane Andile , Wentzel Johannes F. , Wong Ho Ning , Smit Frans J. , Birkholtz Lyn‐Marie , Pietersen Ray‐Dean , Baker Bienyameen , Wiid Ian , N'Da David D. , Haynes Richard K. 
Published: November 2017

AbstractTo evaluate the feasibility of developing drugs that may be active against both malaria and tuberculosis (TB) by using in part putative cholesterol transporters in the causative pathogens and through enhancement of passive diffusion in granulomatous TB, artemisinin–cholesterol conjugates were synthesized by connecting the component molecules through various linkers. The compounds were screened in vitro against Plasmodium falciparum (Pf) and Mycobacterium tuberculosis (Mtb). Antimalarial activities (IC50) against Pf drug‐sensitive NF54, and drug‐resistant K1 and W2 strains ranged from 0.03–2.6, 0.03–1.9, and 0.02–1.7 μm. Although the compounds are less active than the precursor artemisinin derivatives, the cholesterol moiety renders the compounds relatively insoluble in the culture medium, and variation in solubilities among the different compounds may reflect in the range of efficacies observed. Activities against Mtb H37Rv were assessed using a standardized colony‐forming unit (CFU) assay after 24 h pretreatment of cultures with each of the compounds. Percentage inhibition ranged from 3–38 % and 18–52 % at 10 and 80 μm, respectively. Thus, in contrast to the comparator drug artemether, the conjugates display enhanced activities. The immediate aims include the preparation of conjugates with enhanced aqueous solubilities, assays against malaria and TB in vivo, and for TB, assays using an infected macrophage model and assessment of granuloma influx.
Lung cancer incidence and the strength of municipal smoke‐free ordinances
Authors: Hahn Ellen J. , Rayens Mary Kay , Wiggins Amanda T. , Gan Wenqi , Brown Holly M. , Mullett Timothy W. 
Published: November 2017

BACKGROUNDSmoke‐free laws reduce disease prevalence. The impact of municipal smoke‐free laws on lung cancer incidence in Kentucky was examined. The authors hypothesized that lung cancer incidence rates would be associated with the strength of smoke‐free laws.METHODSThis was a secondary analysis of 83,727 Kentucky residents aged ≥ 50 years who were newly diagnosed with lung cancer from 1995 to 2014. In 2014, 33 municipalities had 1 or more smoke‐free laws. County‐level characteristics included adult smoking rate, sex, race/ethnicity, income, physician supply, observed radon values, and rurality.RESULTSIndividuals living in communities with comprehensive smoke‐free laws were 7.9% less likely than those living in communities without smoke‐free protections to be diagnosed with lung cancer. The difference in lung cancer incidence between counties with moderate/weak laws and those without laws was not significant.CONCLUSIONSComprehensive smoke‐free laws were associated with fewer new cases of lung cancer, whereas weak or moderate smoke‐free laws did not confer the same benefit. One hundred percent smoke‐free laws, covering all workers and the public with few or no exceptions, may be key in reducing new cases of lung cancer. Cancer 2018;124:374‐80. © 2017 American Cancer Society.