bluuebunny/crossref_metadata_2025_split huggingface dataset:
A new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid–vapor interface of water
Authors: Pártay Lívia B. , Hantal György , Jedlovszky Pál , Vincze Árpád , Horvai George 
Published: October 2007

AbstractA new method is presented to identify the truly interfacial molecules at fluid/fluid interfaces seen at molecular resolution, a situation that regularly occurs in computer simulations. In the new method, the surface is scanned by moving a probe sphere of a given radius along a large set of test lines that are perpendicular to the plane of the interface. The molecules that are hit by the probe spheres are regarded as interfacial ones, and the position of the test spheres when they are in contact with the interfacial molecules give an estimate of the surface. The dependence of the method on various parameters, in particular, on the size of the probe sphere is discussed in detail. Based on the list of molecules identified as truly interfacial ones, two measures of the molecular scale roughness of the surface are proposed. The bivariate distribution of the lateral and normal distances of two points of the interface provides a full description of the molecular scale morphology of the surface in a statistical sense. For practical purposes two parameters related to the dependence of the average normal distance of two surface points on their lateral distance can be used. These two parameters correspond to the frequency and amplitude of the surface roughness, respectively. The new method is applied for the analysis of the molecular level structure of the liquid–vapor interface of water. As an immediate result of the application of the new method it is shown that the orientational preferences of the interfacial water molecules depend only on the local curvature of the interface, and hence the molecules located at wells of concave curvature of the rippled surface prefer the same orientations as waters located at the surface of small apolar solutes. The vast majority of the truly interfacial molecules are found to form a strongly percolating two‐dimensional hydrogen bonded network at the surface, whereas no percolation is observed within the second molecular layer beyond the surface. © 2007 Wiley Periodicals, Inc. J Comput Chem 2008
Chemoenzymatic synthesis of chiral carboxylic acids via nitriles
Authors: Benz Peter , Muntwyler Rene , Wohlgemuth Roland 
Published: October 2007

AbstractBACKGROUND: Enantiomerically pure 1,4‐benzodioxane‐2‐carboxylic acid derivatives are useful building blocks for the synthesis of pharmaceuticals and biologically active compounds whose interaction with their biological target (enzyme, receptor) depends very much on the absolute configuration of the chiral carbon at the 2‐position.The aim of the present work is to investigate the route to racemic nitriles and the subsequent selective enzymatic hydrolysis by nitrilase to optically active 1,4‐benzodioxane‐2‐carboxylic acid and 6‐formyl‐1,4‐benzodioxane‐2‐carboxylic acid.RESULTS: A range of microbial nitrilases from Rhodococcus, Alcaligenes and Pseudomonas strains have been prepared and screened for the desired biotransformations using a chiral high performance liquid chromatography (HPLC) analytical method. The nitrilase from Alcaligenes faecalis ATCC 8750 showed the highest and the nitrilase from Rhodococcus rhodochrous NCIMB 11216 the lowest activity towards 2‐cyano‐6‐formyl‐1,4‐benzodioxane. Lyophilised cells of Rhodococcus R 312 gave the (R)‐1,4‐benzodioxane‐2‐carboxylic acid with high enantioselectivity after 25% conversion. Excellent enantioselectivities for the hydrolysis of both 2‐cyano‐1,4‐benzodioxane as well as 2‐cyano‐6‐formyl‐1,4‐benzodioxane have been achieved and the absolute configuration of 1,4‐benzodioxane‐2‐carboxylic acid was determined to be R by comparison with the specific rotation of commercially available (R)‐1,4‐benzodioxane‐2‐carboxylic acid.CONCLUSIONS: This new nitrilase‐catalysed kinetic resolution of 2‐cyano‐ and 2‐cyano‐6‐formyl‐1,4‐benzodioxane opens a mild route to optically active 1,4‐benzodioxane‐2‐carboxylic acids. As the formyl functional group would be damaged in chemical nitrile hydrolysis, nitrilase‐catalysed hydrolysis solves this synthetic bottleneck and advances nitrilase biocatalytic tools for the preparation of more complex 1,4‐benzodioxane‐2‐carboxylic acids. Copyright © 2007 Society of Chemical Industry
Changes in tissue free amino acid contents, branchial Na+/K+‐ATPase activity and bimodal breathing pattern in the freshwater climbing perch, Anabas testudineus (Bloch), during seawater acclimation
Authors: Chang Esther Wei Yin , Loong Ai May , Wong Wai Peng , Chew Shit Fun , Wilson Jonathan M. , Ip Yuen Kwong 
Published: October 2007

AbstractThis study aimed to examine effects of short‐ or long‐term acclimation to brackish water or seawater on the climbing perch, Anabas testudineus, which is an aquatic air‐breathing teleost living typically in freshwater. A. testudineus exhibits hypoosmotic and hypoinoic osmoregulation; the plasma osmolality, [Na+] and [Cl−] of fish acclimated to seawater were consistently lower than those of the external medium. However, during short‐term (1 day) exposure to brackish water (15‰) or seawater (30‰), these three parameters increased significantly. There were also significant increases in tissue ammonia and urea contents, contents of certain free amino acids (FAAs) in the muscle, and rates of ammonia and urea excretion in the experimental fish. The accumulated FAAs might have a transient role in cell volume regulation. In addition, these results indicate that increases in protein degradation and amino acid catabolism had occurred, possibly providing energy for the osmoregulatory acclimation of the gills in fish exposed to salinity stress. Indeed, there was a significant increase in the branchial Na+/K+‐ATPase activity in fish exposed to seawater for a prolonged period (7 days), and the plasma osmolality, [Na+] and [Cl−] and the tissue FAA contents of these fish returned to control levels. More importantly, there was a significant increase in the dependence on water‐breathing in fish acclimated to seawater for 7 days. This suggests for the first time that A. testudineus could alter its bimodal breathing pattern to facilitate the functioning of branchial Na+/K+‐ATPase for osmoregulatory purposes. J. Exp. Zool. 307A:708–723, 2007. © 2007 Wiley‐Liss, Inc.
Enhanced transduction of dendritic cells by FcγRI‐targeted adenovirus vectors
Authors: Sapinoro Ramil , Maguire Casey A. , Burgess Angela , Dewhurst Stephen 
Published: October 2007

AbstractBackgroundThe high affinity Fcγ receptor I (FcγRI; aka CD64) is expressed by dendritic cells (DC) and antigens targeted to this receptor elicit enhanced immune responses. This study was designed to test the hypothesis that targeting an adenoviral (Ad) vector to FcγRI would lead to enhanced transduction of DC and an improved immune response to vector‐encoded antigens.MethodsA bispecific adaptor molecule consisting of a trimeric adenovirus fiber‐binding moiety fused to a single‐chain antibody specific for human FcγRI was generated. Transduction of cultured cells, including human DC, by the FcγRI‐targeted Ad was then evaluated using reporter genes (GFP, luciferase). Immunophenotypic and functional characteristics of vector‐transduced DC were also measured by flow cytometry, cytokine ELISA and mixed lymphocyte reaction (MLR); antigen‐specific stimulation of autologous CD8+ T cells was evaluated using vectors encoding cytomegalovirus (CMV) pp65.ResultsFcγRI‐targeted Ad transduced primary DC with 10–15‐fold greater efficiency than unmodified Ad or Ad vectors complexed to an adaptor protein that targeted an irrelevant receptor. However, FcγRI‐targeting had no effect of Ad‐induced activation of DC, as measured by cytokine release or expression of cell surface activation markers. Finally, FcγRI‐targeting of vectors encoding CMV pp65 resulted in an increase in the activation of antigen‐specific autologous human CD8+ T cells.ConclusionsFcγRI‐targeting significantly enhances the efficiency of Ad vector‐mediated gene transfer in primary human DC, and results in an improved immune response to a vector‐encoded antigen. Copyright © 2007 John Wiley & Sons, Ltd.
Multiscalet basis in Galerkin's method for solving three‐dimensional electromagnetic integral equations
Authors: Tong M. S. 
Published: October 2007

AbstractMultiscalets in the multiwavelet family are used as the basis and testing functions in Galerkin's method. Since the multiscalets are orthogonal to their translations under the Sobolev inner product, the resulting Galerkin's method behaves like a collocation method but possesses the ability of derivative tracking for unknown functions in solving integral equations. The former makes the method simple in implementation and the latter allows to use coarse meshes in discretization. These robust features have been demonstrated in solving two‐dimensional (2D) electromagnetic (EM) problems, but have not been exploited in three‐dimensional (3D) scenarios. For 3D problems, the unknown functions in the integral equations are dependent on two coordinate variables. In order to preserve the use of coarse meshes for 3D cases, we realize the omnidirectional derivative tracking by tracking the directional derivatives along two orthogonal directions, or equivalently tracking the gradient. This process yields a nonsquare matrix equation and we use the least‐squares method (LSM) to solve it. Numerical examples show that the multiscalet‐based Galerkin's method is also robust in solving for 3D EM integral equations with a minor cost increase from LSM. Copyright © 2007 John Wiley & Sons, Ltd.
Leadership styles and group organizational citizenship behavior across cultures
Authors: Euwema Martin C. , Wendt Hein , van Emmerik Hetty 
Published: October 2007

AbstractThis study investigates (a) the effects of societal culture on group organizational citizenship behavior (GOCB), and (b) the moderating role of culture on the relationship between directive and supportive leadership and GOCB. Data were collected from 20 336 managers and 95 893 corresponding team members in 33 countries. Multi‐level analysis was used to test the hypotheses, and culture was operationalized using two dimensions of Hofstede (2001) and GLOBE (2004): Individualism (IDV) and power distance (PD). There was no direct relationship between these cultural dimensions and GOCB. Directive leadership had a negative relation, and supportive leadership a positive relation with GOCB. Culture moderated this relationship: Directive leadership was more negatively, and supportive behavior less positively, related to GOCB in individualistic compared to collectivistic societies. The moderating effects of societal PD were explained by societal IDV. Copyright © 2007 John Wiley & Sons, Ltd.
Comparative study of general purpose synthetic aviation lubricants in regard to wear performance, corrosion prevention and salt water resistance
Authors: Akin Kevin D. , Gschwender Lois , Snyder Carl E. , Franco George 
Published: October 2007

AbstractMIL‐PRF‐81322 has been used for many years as a wide‐temperature (−54 to 177 °C) aviation lubricant. Recently, MIL‐PRF‐32014 has shown improvement with enhanced wear and corrosion resistance. Various military aircraft component testing will be discussed, both bench and field. A lubricant comparison will be presented, focusing on wear and corrosion testing.As an additional (and novel) test approach, ASTM D1264, known as water washout, was modified to include synthetic sea water. While there are various lubricant bearing tests for corrosion, none measures a lubricant's resistance to sea water. It is expected to combine corrosion and washout measurements in this test. For many military applications, this property may be helpful in determining the life of the component, as the ability of the grease to remain in place will insure sufficient lubrication as well as corrosion protection. Copyright © 2007 John Wiley & Sons, Ltd.
Analysis of microcystins by capillary high performance liquid chromatography using a polymethacrylate‐based monolithic column
Authors: Gu Congying , Lin Li , Chen Xiaodong , Jia Jinping , Wu Dan , Fang Nenghu 
Published: October 2007

AbstractA polymethacrylate‐based monolithic column was prepared and its application to the separation of three kinds of similar microcystins (MCs) in capillary high performance liquid chromatography (capillary‐HPLC) with ultraviolet detection was studied. The monolithic matrix contains both hydrophobic and cation‐exchange interaction sites. Factors influencing the separation performance have been investigated. A baseline separation could be achieved by means of Tris(hydroxymethyl)aminomethane buffer of mildly alkaline pH and acetonitrile as the mobile phases in less than 5 min. The calibration curves were linear with a correlation coefficient r >0.9990 over a range of 0.25–18.00 mg/L. This method was successfully applied to the separation of microcystins from other compounds in spiked uncontaminated lake water after performing solid‐phase extraction. The whole procedure provided low LODs, e. g. the LODs for MC‐LR, MC‐YR, and MC‐RR were found to be 0.49, 0.67, 0.30 μg/L, respectively. The LODs, precision, efficiency, and the results obtained for the real samples demonstrate the potential of polymethacrylate‐based monolithic columns as fast separation tools for routine use in the monitoring of microcystins in real water samples.
On‐line solid‐phase extraction with a monolithic weak cation‐exchange column and simultaneous screening of α1‐adrenergic receptor antagonists in human plasma
Authors: Wei Xiaoyi , Yin Junfa , Yang Gengliang , He Chunxia , Chen Yi 
Published: October 2007

AbstractAn on‐line SPE–HPLC method, using a monolithic poly(glycidyl methacrylate‐co‐ethylene glycol dimethacrylate) (poly(GMA‐EDMA)) based weak cation‐exchange (WCX) column, was developed for simultaneous determination of α1‐adrenergic receptor antagonists in human plasma. The monolithic WCX column was prepared by an in‐situ polymerization protocol and modified stepwise with ethylenediamine and chloroacetic acid. On connecting this column to an injection valve, an on‐line SPE protocol could be established for removal of matrices (mainly proteins and lipids) and preconcentration of four α1‐adrenergic receptor antagonists in human plasma. This method was validated and then used for determination of terazosin, alfuzosin, prazosin, and doxazosin in clinical plasma samples. For all analytes, each calibration curve was found to be linear over a range of 0.005–5 μg/mL (R >0.997), and the limit of detection for each analyte was 0.5 ng/mL. Recovery (> 80%) and precision (RSD <15%) for inter‐ and intra‐day assay were tested at three concentration levels of each analyte and showed acceptable results for quantitative assay. Real samples from hypertensive patients were monitored and results were in agreement with those of the conventional liquid–liquid extraction‐HPLC method. Furthermore, due to its good permeability and biocompatibility, the monolithic WCX sorbent could be reused more than 300 times. The proposed method was especially appropriate for multi‐analyte monitoring in plasma samples.
Tribochemistry of tetrahedral hydrogen‐free amorphous carbon coatings in the presence of OH‐containing lubricants
Authors: Matta C. , De Barros Bouchet M. I. , Le‐Mogne T. , Vachet B. , Martin J. M. , Sagawa T. 
Published: October 2007

AbstractDiamond‐like carbon (DLC) films are gaining attention for its use in a wide range of tribological applications because of their low friction coefficient and high wear resistance. Recently, ultra‐low friction or superlubricity as low as 0.006 has been observed between hydrogen‐free DLC films lubricated with oil containing a glycerol mono‐oleate (GMO) additive. Consequently, there are many efforts to understand their detailed tribological behaviour. In this study, first, a characterisation of a pristine hydrogen‐free tetrahedral amorphous DLC coating (denoted as ta‐C) is presented. The technique used for ta‐C characterisation is the energy‐filtered transmission electron microscopy studied on a focus ion beam cross section of the coating. Then, to simulate the action of GMO, which is used as an additive in engine oils, and to understand its mechanism of action in boundary lubrication conditions, simple and shorter molecules such as pure glycerol and hydrogen peroxide are used in friction tests. These two molecules and GMO have the same alcohol chemical function. Friction tests in the presence of pure glycerol and hydrogen peroxide are presented. Moreover, to understand the properties of these two molecules, the overtone of GMO and their reaction mechanism in boundary lubrication, liquid phase lubrication was simulated by gas phase lubrication. Results show that very low friction coefficients are obtained with no apparent wear. Finally, the mechanisms of ultra‐low friction are investigated by the wetting method and the X‐ray photoelectron spectroscopy (XPS) technique. These two techniques are used to identify the physical (wetting method) and chemical (XPS) changes occurring at the ta‐C surface after friction. Copyright © 2007 John Wiley & Sons, Ltd.
Culturally responsive caring in occupational therapy
Authors: Muñoz Jaime Phillip 
Published: October 2007

AbstractThe present study examined how practitioners conceptualized culture and used their understanding of a client's culture to provide culturally responsive caring. Descriptions of practice were elicited from experienced practitioners serving culturally diverse clients. Twelve practitioners completed a written questionnaire and participated in a telephone interview. Half of these same participants also participated in a follow‐up interview, which was confirmatory in nature. Grounded theory methodologies were used to identify and conceptualize key processes inherent in these practitioners' descriptions of providing culturally competent care. Practitioners' perceptions of providing culturally responsive care were categorized into five interrelated constructs: building cultural awareness; generating cultural knowledge; applying cultural skills; engaging culturally diverse others; and exploring multiculturalism. One environmental construct, the diversity context was also defined in the data. Culturally responsive caring is described as a process of actively developing a synergistic relationship grounded in mutuality and an intentional respect for a person's cultures. The findings add to the discourse on cultural competency in occupational therapy and may help to examine conceptual models of cultural competency for the profession. Possible implications for culturally responsive professional development, education, practice and research are presented. Copyright © 2007 John Wiley & Sons, Ltd.
Current awareness: Pharmacoepidemiology and drug safety
Authors:   John Wiley & Sons, Ltd.
Published: October 2007

AbstractIn order to keep subscribers up‐to‐date with the latest developments in their field, John Wiley & Sons are providing a current awareness service in each issue of the journal. The bibliography contains newly published material in the field of pharmacoepidemiology and drug safety. Each bibliography is divided into 20 sections: 1 Reviews; 2 General; 3 Anti‐infective Agents; 4 Cardiovascular System Agents; 5 CNS Depressive Agents; 6 Non‐steroidal Anti‐inflammatory Agents; 7 CNS Agents; 8 Anti‐neoplastic Agents; 9 Haematological Agents; 10 Neuroregulator‐Blocking Agents; 11 Dermatological Agents; 12 Immunosuppressive Agents; 13 Autonomic Agents; 14 Respiratory System Agents; 15 Neuromuscular Agents; 16 Reproductive System Agents; 17 Gastrointestinal System Agents; 18 Anti‐inflammatory Agents ‐ Steroidal; 19 Teratogens/fetal exposure; 20 Others. Within each section, articles are listed in alphabetical order with respect to author. If, in the preceding period, no publications are located relevant to any one of these headings, that section will be omitted.
Incidence and prevalence of abnormal liver associated enzymes in patients with atrial fibrillation in a routine clinical care population
Authors: Makar George A. , Weiner Mark G. , Kimmel Stephen E. , Bennett Dimitri , Burke Anne , Yang Yu‐Xiao , Han Xiaoyan , Sellers Kimberly , Nessel Lisa , Lewis James D. 
Published: October 2007

AbstractThe prevalence of elevated liver enzymes has not been described in patients with atrial fibrillation (AF) who may be more likely to develop these abnormalities due to comorbidities and medications. As signals of liver injury lead to termination of drug development programs, an attempt to better define the background prevalence would aid in interpreting these elevations in the setting of exposure to a new drug. The aim of this study was to estimate the prevalence and incidence of alanine aminotransferase (ALT) elevations in a cohort with AF.MethodsRetrospective cohort of patients with AF using the outpatient medical record of the University of Pennsylvania Health System (UPHS). Primary outcomes were prevalence and incidence of ALT elevations (>40 U/L). We also examined the prevalence of risk factors for ALT elevations.ResultsLiver enzymes were measured at least once in 1630 of 2151 patients (76%). The prevalence of ALT >40 U/L was 27.6% (95%CI 25.7–29.5%). The incidence of new ALT elevations was 14.5/100 person‐years (95%CI 13.0–16.1) for ALT > 40 U/L and 2.1/100 person‐years (95%CI 1.6–2.8) for ALT elevations above twice the upper limit of normal (ULN). New persistent ALT elevations above twice the ULN were identified in 0.2% of patients.ConclusionElevated ALT is common among patients with AF, although new and persistent elevation greater than twice the ULN is uncommon. In the setting of a new drug, these factors make it difficult to delineate drug‐induced liver injury from incident elevations due to comorbidities. Copyright © 2007 John Wiley & Sons, Ltd.
Composite polymer electrolyte based on (PEO)6:NaPO3 dispersed with BaTiO3
Authors: Bhide Amrtha , Hariharan Krishnaswamy 
Published: October 2007

AbstractBACKGROUND: Polymer electrolytes have attracted considerable attention as regards portable solid‐state electrochemical device applications. The present investigation is focused on the characterization of a new Na+ ion conducting polymer electrolyte (PEO)6:NaPO3 dispersed with 3–10 wt% BaTiO3 (0.7 µm) fillers. The composite polymer electrolytes (CPEs) were prepared by a solution‐casting method and characterized using various physical measurement techniques.RESULTS: Differential scanning calorimetry results indicate a maximum reduction in the degree of crystallinity of the polymer from 62.6% for uncomplexed poly(ethylene oxide) (PEO) to 27.6% for the CPE with 6 wt% BaTiO3. This substantiates an enhancement in the amorphous phase of the polymer inferred from X‐ray diffraction and optical micrographs. The CPE dispersed with 6 wt% BaTiO3 is found to be the best composition exhibiting a maximum ionic conductivity of 1.2 × 10−6 S cm−1 at 345 K with cationic transport number (t) of 0.33.CONCLUSIONS: An enhancement in the ionic conductivity of about two orders of magnitude is achieved for the composite electrolytes when compared to filler‐free solid polymer electrolyte. Correlation of the temperature‐dependent conductivity, activation energy for ion migration and transport number enables an understanding of the role played by the fillers in conduction characteristics of the CPEs. Copyright © 2007 Society of Chemical Industry