bluuebunny/crossref_metadata_2025_split huggingface dataset:
Complete 1H and 13C signal assignment of prenol‐10 with 3D NMR spectroscopy
Authors: Misiak Maria , Koźmiński Wiktor , Kwasiborska Maria , Wójcik Jacek , Ciepichal Ewa , Swiezewska Ewa 
Published: July 2009

AbstractThe complete assignment of 1H and 13C chemical shifts of natural abundance prenol‐10 is reported for the first time. It was achieved using 3D NMR experiments, which were based on random sampling of the evolution time space followed by multidimensional Fourier transform. This approach makes it possible to acquire 3D NMR spectra in a reasonable time and preserves high resolution in indirectly detected dimensions. It is shown that the interpretation of 3D COSY–HMBC and 3D TOCSY–HSQC spectra is crucial in the structural analysis of prenol‐10. Copyright © 2009 John Wiley & Sons, Ltd.
Experimental study and constitutive modelling of elasto‐plastic damage in heat‐treated mortar
Authors: Chen Xiao‐Ting , Shao J. F. , Davy C. A. , Skoczylas F. 
Published: July 2009

AbstractThis study investigates the effect of a heat‐treatment upon the thermo‐mechanical behaviour of a model cement‐based material, i.e. a normalized mortar, with a (w/c) ratio of 0.5. First, a whole set of varied experimental results is provided, in order to either identify or validate a thermo‐mechanical constitutive model, presented in the second paper part. Experimental responses of both hydraulic and mechanical behaviour are given after different heating/cooling cycling levels (105, 200, 300, 400∘C). The reference state, used for comparison purposes, is taken after mass stabilization at 60∘C. Typical uniaxial compression tests are provided, and original triaxial deviatoric compressive test responses are also given. Hydraulic behaviour is identified simultaneously to triaxial deviatoric compressive loading through gas permeability Kgas assessment. Kgas is well correlated with volumetric strain evolution: gas permeability increases hugely when εv testifies of a dilatant material behaviour, instead of contractile from the test start. Finally, the thermo‐mechanical model, based on a thermodynamics approach, is identified using the experimental results on uniaxial and triaxial deviatoric compression. It is also positively validated at residual state for triaxial deviatoric compression, but also by using a different stress path in lateral extension, which is at the origin of noticeable plasticity. Copyright © 2009 John Wiley & Sons, Ltd.
Dynamic response of intrinsic continua for use in biological and molecular modeling: Explicit finite element formulation
Authors: Leamy Michael J. , Lee Chang‐Yong 
Published: July 2009

AbstractAn intrinsic beam formulation has recently appeared (AIAA J. 2003; 41(6):1131–1137), which presents the three‐dimensional equations of motion governing spatial and temporal changes in a one‐dimensional continua's curvature, strain, rectilinear velocity, and angular velocity. The formulation would suggest several computational advantages over more‐traditional displacement‐based continua approaches: low‐order interpolation functions can describe generally curved and twisted continua configurations; inter‐element displacements, slopes, strains, and curvatures can be matched; and finite rotational variables and their complexities are absent. Here, we present a completed intrinsic continua finite element development and critical analysis, which follows from an earlier preliminary treatment as applied to carbon nanotubes (Int. J. Solids Struct. 2007; 44:874–894). Modeling of nodal displacements and rotations are included. Explicit time stepping, with desired high‐frequency damping, is accomplished using an implementation of the generalized‐α method. Zero‐energy modes inherent in the formulation are also identified and rectified. Finally, we document very good agreement between results predicted with the intrinsic continua finite element simulator and results generated using more‐traditional finite element simulations. Copyright © 2009 John Wiley & Sons, Ltd.
Greater Epoetin alfa (EPO) doses and short‐term mortality risk among hemodialysis patients with hemoglobin levels less than 11 g/dL
Authors: Bradbury Brian D. , Do Thy P. , Winkelmayer Wolfgang C. , Critchlow Cathy W. , Brookhart M. Alan 
Published: July 2009

AbstractPurposeWe examined the association between high doses of Epoetin alfa (EPO), which are used to raise and maintain hemoglobin (Hb) levels within target ranges for hemodialysis patients, and short‐term mortality risk using multivariable regression and an instrumental variable (IV) analysis.MethodsWe identified 32 734 patients receiving hemodialysis in 786 facilities from a large US dialysis provider between July 2000 and March 2002 who received care for >4 consecutive months, and had an Hb < 11 g/dL in the third month. We assessed dose titrations following the Hb < 11 g/dL and characterized facilities based on the percentage of patients with dose titrations >25% (instrument). We assessed deaths during the subsequent 90 days and evaluated the EPO dose‐mortality association using conventional linear and IV regression.ResultsThe study population had a mean (SD) age of 60.4 (15.0) years; 48% were white, 42% were black and 51% were male. In unadjusted analyses, high EPO doses were associated with 90‐day mortality risk (Risk Difference, RD = 3.0 per 100 persons, 95%CI:2.3–3.6); mortality risk was attenuated after adjustment for confounding (RD = 1.5 per 100 persons, 95%CI:0.8–2.2) and not associated with high EPO dose in the pooled IV analysis, though confidence intervals (CI) were wide (RD = −0.4 per 100 persons, 95%CI:‐3.2‐2.4).ConclusionsThe difference in risk estimates between the adjusted linear regression and the IV regression suggests that the short‐term mortality related to EPO dosing may be largely attributable to confounding‐by‐indication for higher doses. The IV method, which was employed to address the possibility of residual confounding, yielded near null though imprecise effect estimates. Copyright © 2009 John Wiley & Sons, Ltd.
Antipsychotics‐induced ischaemic colitis and gastrointestinal necrosis: a review of the French pharmacovigilance database
Authors: Peyrière Hélène , Roux Clarisse , Ferard Claire , Deleau Nathalie , Kreft‐Jais Carmen , Hillaire‐Buys D. , Boulenger Jean‐Philippe , Blayac Jean‐Pierre 
Published: July 2009

AbstractPurposeFirst‐ and second‐generation antipsychotics commonly cause mild gastrointestinal hypomotility. Intestinal necrosis may be a consequence of such gastrointestinal perturbations.Material and MethodsWe reviewed all the observations of ischaemic colitis and gastrointestinal necrosis notified to the French Pharmacovigilance database (FPD) between 1997 and the end of 2006.ResultsThirty‐eight cases of ischaemic colitis and gastrointestinal necrosis associated with antipsychotics were analysed. The average age of the patients was 42.7 ± 14.7 years (15–77 years). The digestive complication was an intestinal necrosis in 27 cases, an ischaemic colitis in 10 cases (with perforation in three cases), and one perforation. Surgical procedure (partial or total resection of the colon and/or small intestine) was performed in 24 patients. Six patients died despite surgery. Among the whole population, the outcome was fatal in 14 patients, 13 patients recovered with sequelae, six patients fully recovered, and the outcome remained unknown in five cases.In 55.2% of the cases, the patients were treated with more than one antipsychotic medication. The most frequently involved antipsychotics were: clozapine, levomepromazine, cyamemazine, haloperidol. Associated antimuscarinic drugs (excluding antipsychotics) were found in 68.4% of patients.Discussion/ConclusionIntestinal necrosis associated with antipsychotics is very rare; however mortality is high, with a rapid worsening of patients towards septic shock in spite of mild clinical symptoms. It is therefore essential to monitor the patients receiving antipsychotics especially when they are prescribed concomitant medications. The occurrence of non‐specific clinical symptoms such as abdominal pain associated with vomiting and/or diarrhea should draw attention. Copyright © 2009 John Wiley & Sons, Ltd.
Electroreduction of hexavalent chromium by polyaniline
Authors: Binkauskiene Elena , Binkauskas Boleslovas J 
Published: July 2009

AbstractBACKGROUND: A plate‐gap model interpretation of enzymatic reaction kinetics and rotating disc voltammetry were applied for evaluation of the nature of the reaction of the electroreduction of Cr(VI) (as dichromate ions) on a polyaniline (PANI)‐modified glassy carbon (GC) electrode.RESULTS: The kinetic parameters (the maximal current (Vmax) and Michaelis constant (KM)) for electroreduction of Cr(VI) on the PANI‐modified GC electrode were determined as Vmax = 0.34 × 10−7 mol cm−3 s−1 and KM = 0.47 × 10−6 mol cm−3. The reduction of dichromate is intensified by PANI film growth.CONCLUSION: To characterise the electroreduction of Cr(VI) on a PANI‐modified GC electrode, the kinetic parameters of the reaction were determined using a plate–gap model interpretation of enzymatic reaction kinetics and rotating disc voltammetry. The catalytic nature of Cr(VI) electroreduction on the PANI‐modified electrode has been shown. Copyright © 2009 Society of Chemical Industry
Electric‐field‐induced layer‐by‐layer fabrication of stable second‐order nonlinear optical films
Authors: Wang Shiwei , Zhao Lisha , Zhang Xiaolong , Zhang Xun , Shi Zuosen , Cui Zhanchen , Chen Xue , Yang Yanqiang 
Published: July 2009

AbstractBACKGROUND: Second‐order nonlinear optical (NLO) films have been made using electric field poling polymer and Langmuir–Blodgett techniques with non‐centrosymmetric structures that exhibit relatively high values of nonlinear susceptibility (χ2), but the shortcomings of insufficient temporal or mechanical stability have restricted their potential applications. In this study, electric‐field‐induced layer‐by‐layer assembly was investigated as an effective technique to prepare low molecular weight chromophoric (LMWC) molecules of high degree of self‐ordering and density in NLO films.RESULTS: A new and stable LMWC molecule, 2‐({4‐[4‐(2‐carboxy‐2‐cyanovinyl)‐Z‐phenylazo]‐phenyl}‐methylamino)‐ethyl acid (DRCB), was first designed and synthesized successfully. The chromophore possesses two negative groups, one at each end, and still retains molecular polarity after ionization. DRCB was successfully assembled with polycationic diazoresin using the electric‐field‐induced layer‐by‐layer assembly method to construct stable organic second‐order NLO multilayer films. Upon UV irradiation, the interaction between multilayers was converted from an electrostatic interaction to covalent bonds.CONCLUSION: Due to the DC electric field effect in the assembly process, in addition to introducing the stable chromophore molecule and the covalent crosslinking structure in the films, the second‐order NLO films fabricated using the method described have large second harmonic generation response, good thermal stability and excellent chemical stability, which offer potential advantages for device applications. Copyright © 2009 Society of Chemical Industry
Service provision for men with antisocial personality disorder who make contact with mental health services
Authors: Crawford Mike J. , Sahib Layth , Bratton Helen , Tyrer Peter , Davidson Kate 
Published: July 2009

AbstractConcerns have been raised about the quality of health services for people with antisocial personality disorder (ASPD). As part of a randomized trial of cognitive behaviour therapy for men with ASPD, we collected prospective data on service utilization over a 12‐month period. Among the 52 men that participated, 96% had evidence of anxiety disorder and 64% met criteria for probable alcohol misuse. Almost half the sample presented to emergency medical services and 21% were admitted to a mental health inpatient unit during the following year. Despite this, only 11 (21%) were provided with follow‐up care from mental health services. Levels of alcohol and drug misuse were lower among those that were given follow‐up (27.3% compared with 63.4%, p < 0.05). Although services for people with personality disorder in Britain have expanded, most men with ASPD do not receive follow‐up care from mental health services. Copyright © 2009 John Wiley & Sons, Ltd.
Structural and vibrational study of 2‐(2′‐ furyl)‐4,5‐1H‐dihydroimidazole
Authors: Zinczuk Juan , Ledesma Ana Estela , Brandán Silvia Antonia , Piro Oscar Enrique , López‐González Juan Jesús , Ben Altabef Aída 
Published: July 2009

AbstractIn this study 2‐(2′‐furyl)‐4,5‐1H‐dihydroimidazole(1)was prepared and then characterized by infrared, Raman, and multidimensional nuclear magnetic resonance (NMR) spectroscopies. The crystal and molecular structures of1were determined by X‐ray diffraction methods. The density functional theory (DFT) and second‐order Møller–Plesset theory (MP2) with Pople's basis set show that there are two conformers for the title molecule that have been theoretically determined in the gas phase, and that only one of them, conformer I, is present in the solid phase. NMR spectra observed for1were successfully compared with the calculated chemical shifts at the B3LYP/6‐311++G** level theorized for this conformer. The harmonic vibrational frequencies for the optimized geometry of the latter conformer were calculated at the B3LYP/6‐311++G** level in the approximation of the isolated molecule. For a complete assignment of the IR and Raman spectra in the solid phase of1, DFT calculations were combined with Pulay´s scaled quantum mechanics force field (SQMFF) methodology to fit the theoretical frequency values to the experimental ones. Copyright © 2009 John Wiley & Sons, Ltd.
Quantitative proteomic analysis of a paired human liver healthy versus carcinoma cell lines with the same genetic background to identify potential hepatocellular carcinoma markers
Authors: Bao Huimin , Song Peiming , Liu Qingping , Liu Yinkun , Yun Dong , Saiyin Hexige , Du Ruyun , Zhang Yang , Fan Huizhi , Yang Pengyuan , Chen Xian 
Published: July 2009

AbstractTo comprehensively measure global changes in protein expression associated with human hepatocellular carcinoma (HCC), comparative proteomic analysis of two cell lines derived from the healthy and carcinoma tissue of a same donor respectively was conducted using quantitative amino acid‐coded mass tagging /stable isotope labeling with amino acids in cell culture‐based LC‐MS/MS approach. Among a total of 501 proteins precisely quantified, the expressions of 128 proteins were significantly altered including 70 proteins up‐regulated and 58 down‐regulated in HCC cells. According to their previously characterized functions, the differentially expressed proteins were found associated with nine functional categories including glycolysis, stress response, cell communication, cell cycle, apoptosis/death, etc. For example, multiple enzymes involving glycolysis pathway were found differentially regulated in HCC cells, illustrating the critical participation of glycolysis in the HCC transformation. The accuracy of certain differentially expressed proteins identified through the amino acid‐coded mass tagging‐based quantification was validated in the paired cell lines, and later their pathological correlations were examined in multiple clinical pairs of normal versus tumor tissues from HCC specimen by using a variety of biological approaches including Western blotting and in situ immunoassays. These consistencies suggested that multiple proteins such as HSP27, annexin V, glyceraldehyde‐3‐phosphate dehydrogenase, nucleolin and elongation factor Tu could be the biomarkers candidates for diagnosis of HCC.
Detection of urinary biomarkers for early diagnosis of acute renal allograft rejection by proteomic analysis
Authors: Jia Xiongfei , Gan Chengjun , Xiao Ke , He Weifeng , Zhang Tao , Huang Cibing , Wu Xiongfei , Luo Gaoxing , Wang Xiaojuan , Hu Jie , Tan Jiangling , Zhang Xiaorong , Larsen Peter Mose , Wu Jun 
Published: July 2009

AbstractAcute allograft rejection has been recognized as a major impediment to improved success in renal transplantation. Timely detection and control of rejection are very important for the improvement in long‐term renal allograft survival. Thus, biomarkers for early diagnosis of acute rejection are required urgently to clinical medication. This study seeks to search for such biomarker candidates by comparing patients' pre‐treatment urinary protein profiling with their post‐treatment urinary protein profiling. A total of 15 significantly and consistently down‐regulated protein candidates were identified. Among them, alpha‐1‐antichymotrypsin precursor (AACT), tumor rejection antigen gp96 (GP96) and Zn‐Alpha‐2‐Glycoprotein (ZAG) were selected for further analysis. The results indicated that Western Blot assay of AACT, GP96 and ZAG had advanced the diagnosis time of acute renal rejection by 3 days, compared with current standard clinical observation and laboratory examination. Furthermore, the double‐blind detection revealed that the accuracy, sensitivity and specificity of the diagnosis of acute renal rejection of AACT, GP96 and ZAG were 66.67%/100%/60%, 83.33%/100%/80% and 66.67%/100%/60%, respectively, and 100%/100%/100% in combination. In conclusion, urinary protein AACT, GP96 and ZAG could be a set of potential biomarkers for early non‐invasive diagnosis of the acute rejection after renal transplantation.
High‐temperature stability of Au/p‐type diamond Schottky diode
Authors: Teraji Tokuyuki , Koide Yasuo , Ito Toshimichi 
Published: July 2009

AbstractRectification properties of Au Schottky diodes were investigated in high‐temperature operation. These diodes were fabricated on a p‐type diamond single crystal using the vacuum‐ultraviolet light/ozone treatment. The ideality factor n of the Schottky diodes decreased monotonically with increasing measurement temperature whereas the Schottky barrier height ϕb increased, and ϕb reached 2.6 eV at 550 K with n of 1.1. Through high temperature heating at 870 K, the mean value of ϕb at 300 K changed permanently from 2.2 eV to 1.1 eV. Decrease of ϕb might originate from a dissolution of oxygen termination at the Au/diamond interface. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A systematic review on the sambuci fructus effect and efficacy profiles
Authors: Vlachojannis J. E. , Cameron M. , Chrubasik S. 
Published: July 2009

AbstractThe berries of European elder are used in traditional German medicine for various complaints. Due to insufficient research data, elderberry fruit was not monographed by the German Commission E at the end of the last century. A comprehensive review of the literature was conducted to summarize the pharmacological and clinical effects of elderberry fruit. Several databases and other sources were searched to identify in vitro and animal studies, and clinical trials investigating elderberry fruit preparations. For the latter, the level of evidence was evaluated as described previously.Elderberry fruit preparations may provide antioxidant, antiviral and antiproliferative effects in vitro. One animal experiment and one clinical trial were able to back the antioxidative impact in terms of a weak antilipidemic effect. Antibacterial and antiinflammatory effects seem possible, but need further support. In rats, an aqueous elderberry fruit extract produced central depression and analgesia and an ethanol fruit extract improved acetic acid‐induced colitis. Several in vitro studies together with two exploratory studies in humans and one open study in chimpanzees indicate that the aqueous elderberry extract SambucolR may be useful for the treatment of viral influenza infections.These promising effects of elderberry fruit preparations from experimental and clinical studies should be backed by more rigorous studies before these preparations are recommended in the prevention of diseases and in treatment schedules. Copyright © 2009 John Wiley & Sons, Ltd.
Cytoprotective role of astaxanthin against glycated protein/iron chelate‐induced toxicity in human umbilical vein endothelial cells
Authors: Nishigaki Ikuo , Rajendran Peramaiyan , Venugopal Ramachandran , Ekambaram Gnapathy , Sakthisekaran Dhanapal , Nishigaki Yutaka 
Published: July 2009

AbstractAstaxanthin (ASX), a red carotenoid pigment with no pro‐vitamin A activity, is a biological antioxidant that occurs naturally in a wide variety of plants, algae and seafoods. This study investigated whether ASX could inhibit glycated protein/iron chelate‐induced toxicity in human umbilical‐vein endothelial cells (HUVEC) by interfering with ROS generation in these cells. Glycated fetal bovine serum (GFBS) was prepared by incubating fetal bovine serum (FBS) with high‐concentration glucose. Stimulation of cultured HUVECs with 50 mm 1 mL of GFBS significantly enhanced lipid peroxidation and decreased antioxidant enzyme activities and levels of phase II enzymes. However, preincubation of the cultures with ASX resulted in a marked decrease in the level of lipid peroxide (LPO) and an increase in the levels of antioxidant enzymes in an ASX concentration‐dependent manner. These results demonstrate that ASX could inhibit LPO formation and enhance the antioxidant enzyme status in GFBS/iron chelate‐exposed endothelial cells by suppressing ROS generation, thereby limiting the effects of the AGE–RAGE interaction. The results indicate that ASX could have a beneficial role against glycated protein/iron chelate‐induced toxicity by preventing lipid and protein oxidation and increasing the activity of antioxidant enzymes. Copyright © 2009 John Wiley & Sons, Ltd.
QSAR Approach to Correlate TRPV1 Antagonist Activity for a Series of Heteroaromatic Urea
Authors: Taskin Tugba , Sevin Fatma 
Published: July 2009

AbstractQuantitative structure‐activity relationship (QSAR) studies have been performed on heterocyclic urea derivatives (n=86) as transient receptor potential vanilloid (TRPV1) antagonists. The whole data set was divided into a training set (81% of the dataset) and a test set (remaining 19%) randomly. Models with genetic function approximation (GFA) and partial least‐squares (PLS) algorithms, developed from the training set were used to assess the predictive potential of the models using test set compounds. Obtained nonlinear and linear QSAR models were developed by using constitutional, chemical and topological descriptors, Num. Rings, Mol. Vol. and PHI to relate to TRPV1 antagonist activity.