bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reconstruction of atomistic details from coarse‐grained structures
Authors: Rzepiela Andrzej J. , Schäfer Lars V. , Goga Nicolae , Risselada H. Jelger , De Vries Alex H. , Marrink Siewert J. 
Published: January 2010

AbstractWe present an algorithm to reconstruct atomistic structures from their corresponding coarse‐grained (CG) representations and its implementation into the freely available molecular dynamics (MD) program package GROMACS. The central part of the algorithm is a simulated annealing MD simulation in which the CG and atomistic structures are coupled via restraints. A number of examples demonstrate the application of the reconstruction procedure to obtain low‐energy atomistic structural ensembles from their CG counterparts. We reconstructed individual molecules in vacuo (NCQ tripeptide, dipalmitoylphosphatidylcholine, and cholesterol), bulk water, and a WALP transmembrane peptide embedded in a solvated lipid bilayer. The first examples serve to optimize the parameters for the reconstruction procedure, whereas the latter examples illustrate the applicability to condensed‐phase biomolecular systems. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
Usefulness of delta value of platelet parameters on ADVIA 120 for the functional reactivity of stored platelets
Authors: Park Il Joong , Lim Young Ae , Cho Sung Ran 
Published: January 2010

AbstractAn agonist‐induced expression of CD62P by flow cytometry analysis for evaluating platelet functional reactivity has some disadvantages. We investigated the usefulness of platelet parameters by ADVIA 120 to predict an agonist‐induced expression of CD62P in stored platelets. The CD62P expression by flow cytometry and the platelet parameters by ADVIA 120 were studied in samples from 27 platelet pheresis products. Delta (Δ) values were calculated as the degree of change of the platelet parameters studied with or without adenosine 5′‐diphosphate sodium (ADP) stimulation. The CD62P expression of the ADP‐activated platelets were correlated with the Δplatelet count (r=0.517) in the short‐term storage group (within 10 hr from preparation), with the platelet component distribution width (PCDW) without ADP (r=−0.744) and the ΔPCDW (r=−0.755) in the long‐term storage group (after 10 hr from preparation). Therefore, the delta values of platelet parameters on ADVIA 120 analysis in platelets between with and without ADP stimulation could be useful as a simple predictor for the functional reactivity of stored platelets. J. Clin. Lab. Anal. 24:38–43, 2010. © 2010 Wiley‐Liss, Inc.
Prevalence of autoantibodies in patients of psoriasis
Authors: Singh Sangeeta , Singh Usha , Singh Sanjay 
Published: January 2010

AbstractPsoriasis is a common chronic inflammatory disease of the skin and joints. Autoantibodies have been reported in psoriasis patients. Objective of the study was to see the prevalence of various autoantibodies in patients of psoriasis and its correlation with gender, age, and type. Anti‐nuclear antibody and antibody to double‐stranded deoxyribonucleic acid were studied by indirect enzyme linked immunosorbent assay, rheumatoid factor was done by latex agglutination, whereas anti‐thyroid microsomal antibody (anti‐TMA) was by gelatin agglutination method. About 28.8% of psoriasis cases were positive for atleast one autoantibody. Age of onset (P=0.033) and types of psoriasis (P=0.037) had significant association with gender. Anti‐double‐stranded deoxyribonucleic acid (P=0.029) and anti‐thyroid microsomal antibody (P=0.002) had significant association with types of psoriasis. Gender wise distribution of psoriasis in age group had significant (P=0.03) association with anti‐TMA. This study concludes that the autoantibodies are found to be present in psoriasis patients or latent autoimmune diseases develop in psoriasis patients without any clinical symptoms. J. Clin. Lab. Anal. 24:44–48, 2010. © 2010 Wiley‐Liss, Inc.
Radiosynthesis of 13N‐labeled thalidomide using no‐carrier‐added [13N]NH3
Authors: Kumata Katsushi , Takei Makoto , Ogawa Masanao , Yui Joji , Hatori Akiko , Suzuki Kazutoshi , Zhang Ming‐Rong 
Published: January 2010

AbstractRecent studies revealed that thalidomide (1) has unique and broad pharmacological effects on multi‐targets although the application of 1 in therapy is still controversial. In this study, we synthesized nitrogen‐13‐labeled thalidomide ([13N]1) as a potential positron emission tomography (PET) probe using no‐carrier‐added [13N]NH3 as a labeling agent. By use of an automated system, [13N]1 was prepared by reacting N‐phthaloylglutamic anhydride (2) with [13N]NH3, following by cyclization with carbonyldiimidazole in a radiochemical yield of 56±12% (based on [11N]NH3, corrected for decay) and specific activity of 49±24 GBq/µmol at the end of synthesis (EOS). At EOS, 570–780 MBq (n=7) of [13N]1 was obtained at a beam current of 15 µA after 15 min proton bombardment with a synthesis time of 14 min from the end of bombardment. Using a small animal PET scanner, preliminary biodistribution of [13N]1 in mice was examined. Copyright © 2010 John Wiley & Sons, Ltd.
Functional implications of dicynodont cranial suture morphology
Authors: Jasinoski Sandra C. , Rayfield Emily J. , Chinsamy Anusuya 
Published: January 2010

AbstractCranial suture morphology of Lystrosaurus and the generalized dicynodont Oudenodon was investigated to determine the strain environment during mastication, which in turn may indicate a difference in cranial function between the two taxa. Finite element (FE) analysis indicated that less strain accumulated in the cranium of Lystrosaurus during orthal bite simulations than in Oudenodon. Despite the overall difference in strain magnitude, moderate to high FE‐predicted strain accumulated in similar areas of the cranium of both taxa. The suture morphology in these cranial regions of Lystrosaurus and Oudenodon was investigated further by examination of histological sections and supplemented by observations of serial sections and computed tomography (CT) scans. The predominant type of strain from selected blocks of finite elements that contain sutures was determined, enabling comparison of suture morphology to strain type. Drawing from strain‐suture correlations established in extant taxa, the observed patterns of sutural morphology for both dicynodonts were used to deduce cranial function. The moderate to high compressive and tensile strain experienced by the infraorbital bar, zygomatic arch, and postorbital bar of Oudenodon and Lystrosaurus may have been decreased by small adjustive movements at the scarf sutures in those regions. Disparities in cranial suture morphology between the two taxa may reflect differences in cranial function. For instance, the tongue and groove morphology of the postorbital‐parietal suture in Oudenodon could have withstood the higher FE‐predicted tensile strain in the posterior skull roof. The scarf premaxilla‐nasal suture of Lystrosaurus provided an additional region of sutural mobility in the anterior surface of the snout, suggesting that Lystrosaurus may have employed a different biting regime than Oudenodon. The morphology of several sutures sampled in this study correlated with the FE‐predicted strain, although other cranial functional hypotheses remain to be tested. J. Morphol., 2010. © 2010 Wiley‐Liss, Inc.
Identification of Merkel cell polyomavirus in the lower respiratory tract of Italian patients
Authors: Babakir‐Mina Muhammed , Ciccozzi Massimo , Lo Presti Alessandra , Greco Francesco , Perno Carlo Federico , Ciotti Marco 
Published: January 2010

AbstractMerkel cell polyomavirus (MCPyV) has been found to be integrated monoclonally in a rare skin cancer named Merkel cell carcinoma. More recently, MCPyV has been detected in the upper respiratory tract of pediatric and adult patients. However, the mode of transmission and pathogenic role of MCPyV in the respiratory system has not been determined. In this study, MCPyV was sought in the lower respiratory tract of adult patients admitted to the hospital. MCPyV DNA was detected in 15 (17.24%) out of 87 lower respiratory tract samples. Most of the patients with MCPyV were over 50 years old. Nucleotide sequence of the t‐antigen of MCPyV identified in respiratory secretions showed a homology to those found in Merkel cell carcinoma. In addition, phylogenetic analysis undertaken on the t‐antigen sequences of Italian isolates and other MCPyVs identified in healthy and cancer tissues showed that all these isolates belonged to the same clade. Selective pressure analysis for the t‐antigen revealed the presence of five sites under positive selection (ω = 4.3), with a posterior probabilities above 0.99. The α parameter of the gamma distribution was 0.01, showing that this distribution has a characteristic L‐shape and suggesting a strong nucleotide substitution rate heterogeneity across sites. This study shows that MCPyV can infect the lower respiratory tract, but further investigations are needed to define its pathogenic role in respiratory diseases. J. Med. Virol. 82:505–509, 2010. © 2010 Wiley‐Liss, Inc.
Corrosion inhibition of 70Cu–30Ni alloy in LiBr + ethylene glycol + H2O mixtures by inorganic compounds
Authors: Ramirez‐Arteaga M. A. , Gonzalez‐Rodriguez J. G. , Rosales I. , Dominguez‐Patiño G. , Martinez‐Villafañe A. , Neri‐Florez M. A. 
Published: January 2010

AbstractThe corrosion inhibition of a 70 wt% Cu–30Ni alloy in a 55 wt% lithium bromide (LiBr) + ethylene glycol + H2O by inorganic inhibitors has been evaluated at different temperatures by using electrochemical techniques. Inhibitors used included lithium chromate (Li2CrO4), lithium molybdate (LiMoO4), and lithium nitrate (LiNO3), in a concentration of 5 ppm at 25, 50, and 80 °C. Employed techniques included potenthiodynamic polarization curves, linear polarization resistance, and potentiostatic measurements. Results have shown that the alloy had an active–passive behavior at 25 and 50 °C, and the passive film properties were improved with the addition of inhibitors, whereas at 80 °C the inhibitors did not have any effect. Similarly, in general terms, the best corrosion performance at 25, 50, and 80 °C was obtained by adding Li2CrO4, LiNO3, and LiMoO4, respectively. However, the alloy was not susceptible to pitting corrosion in presence of inhibitors but it was highly susceptible towards pitting type of corrosion in absence of inhibitors.
Improvement in corrosion resistance of commercial pure titanium for the enhancement of its biocompatibility
Authors: Mohsen Q. , Fadl‐Allah S. A. 
Published: January 2010

AbstractA new surface modification protocol encompassing an anodization treatment has been developed to improve the surface properties of biomedical titanium. Anodization in presence of nickel sulfate is one of a good way to improve the resistance of commercial pure titanium (cp‐Ti) in phosphate saline buffer solution (PSB). The potentiostatic behavior of anodized titanium in sulfuric acid with nickel sulfate differed markedly from that of titanium anodized in sulfuric acid free from nickel sulfate. Polarization and electrochemical impedance spectroscopy (EIS) recorded an increase in the corrosion resistance of the passive film. Scanning electron microscopy (SEM) and energy diffraction X‐ray (EDX) analysis were used to investigate the morphology and structure of the anodized film in absence and in presence of nickel sulfate. On the other hand, sealed anodized titanium samples exposed to PSB for up to 3 days have been studied by EIS to obtain detailed information concerning the electrochemical properties of sealed anodized titanium. An equivalent circuit that reproduces the impedance results of porous cp‐Ti oxide (TiO2) films is proposed. These observations indicate that anodization of cp‐Ti in presence of nickel sulfate and sealing the anodized film can serve as a simple low‐temperature method to enhance the corrosion resistance of cp‐Ti when used as an implant material.
Stimulatory effects of the soy phytoestrogen genistein on noradrenaline transporter and serotonin transporter activity
Authors: Toyohira Yumiko , Ueno Susumu , Tsutsui Masato , Itoh Hideaki , Sakai Norio , Saito Naoaki , Takahashi Kojiro , Yanagihara Nobuyuki 
Published: January 2010

AbstractWe examined the effects of genistein, one of the major soy phytoestrogens, on the activity of noradrenaline transporter (NAT) and serotonin transporter. Treatment with genistein (10 nM–10 μM) for 20 min stimulated [3H]noradrenaline (NA) uptake by SK‐N‐SH cells. Genistein also stimulated [3H]NA uptake and [3H]serotonin uptake by NAT and serotonin transporter transiently transfected COS‐7 cells, respectively. Kinetics analysis of the effect of genistein on NAT activity in NAT‐transfected COS‐7 cells revealed that genistein significantly increased the maximal velocity of NA transport with little or no change in the affinity. Scatchard analysis of [3H]nisoxetine binding to NAT‐transfected COS‐7 cells showed that genistein increased the maximal binding without altering the dissociation constant. Although genistein is also known to be an inhibitor of tyrosine kinases, daidzein, another soy phytoestrogen and an inactive genistein analogue against tyrosine kinases, had little effect on [3H]NA uptake by SK‐N‐SH cells. The stimulatory effects on NAT activity were observed by treatment of tyrphostin 25, an inhibitor of epidermal growth factor receptor tyrosine kinase, whereas orthovanadate, a protein tyrosine phosphatase inhibitor, suppressed [3H]NA uptake by NAT‐transfected COS‐7 cells. These findings suggest that genistein up‐regulates the activity of neuronal monoamine transporters probably through processes involving protein tyrosine phosphorylation.
Neuroprotection induced by vitamin E against oxidative stress in hippocampal neurons: Involvement of TRPV1 channels
Authors: Crouzin Nadine , de Jesus Ferreira Marie‐Céleste , Cohen‐Solal Catherine , Barbanel Gérard , Guiramand Janique , Vignes Michel 
Published: January 2010

AbstractPretreatment of cultured hippocampal neurons with a low concentration of alpha‐tocopherol (α‐TP), the major component of vitamin E, results in a long‐lasting protection against oxidative damages, via genomic effects. This neuroprotection is associated with the attenuation of a calcium influx triggered by oxidative agents such as Fe2+ ions. This Ca2+ influx is supported by a TRP‐like channel, also partly involved in capacitive calcium entry within neurons. Here, we evidence the contribution of TRPV1 channels in this mechanism. TRPV1 channels are activated by various agents including capsaicin, the pungent component of hot chili peppers and blocked by capsazepine (CPZ) or 5′‐iodo‐resiniferatoxin. Both TRPV1 inhibitors strongly reduced Fe2+ ion‐mediated toxicity and Ca2+ influx, in the same way as to α‐TP pretreatment. Moreover, CPZ also decreased capacitive calcium entry in hippocampal neurons. Finally, both CPZ and 5′‐iodo‐resiniferatoxin reduced spontaneous excitatory synaptic transmission; this depression of synaptic transmission being largely occluded in α‐TP‐pretreated neurons. In conclusion, in our experimental model, TRPV1 channels are involved in the Fe2+ ion‐induced neuronal death and a negative modulation of this channel activity by α‐TP pretreatment may account, at least in part, for the long‐lasting neuroprotection against oxidative stress.
Modal criteria for optimization of structures through active structural acoustic control
Authors: Besset S. , Jézéquel L. 
Published: January 2010

AbstractThis paper deals with modal criteria allowing optimization of structures through active structural acoustic control (ASAC) based on the independent modal strategy control (IMSC). The aim of the paper is to propose efficient criteria allowing to process optimization of structures by determining the most important modes to control considering only the location of the excitation on the structure. A generalized modal synthesis is used to study the coupled fluid–structure system. Modal criteria are proposed in order to determine the best choice for the controlled modes used in IMSC method. The way the ASAC will be applied is not discussed in the paper. Numerical simulations are computed to show the efficiency of the method, considering a simple vibroacoustic structure. Copyright © 2010 John Wiley & Sons, Ltd.
Surveillance of methadone‐related poisonings in Kentucky using multiple data sources
Authors: Bunn Terry L. , Yu Lei , Spiller Henry A. , Singleton Michael 
Published: January 2010

AbstractPurposeThe methadone poisoning death rate for Kentucky in the year 2005 was the sixth highest in the US and increased 17‐fold from 1999 to 2005. The purpose of this study was to identify and characterize methadone related poisonings in Kentucky using multiple data sources: inpatient hospitalization discharge data, poison control center data, vital statistics mortality data, and Kentucky All Schedule Prescription Electronic Reporting (KASPER) data.MethodsA descriptive analysis study was performed on Kentucky inpatient hospitalization discharge data, Kentucky Regional Poison Center (KRPC) data, Kentucky vital statistics mortality data, and KASPER data.ResultsWhile methadone prescription rates decreased from a peak of 27 prescriptions per 1000 population in the year 2003 to 21 in 2007, there was a statistically significant increase in inpatient hospitalization rates, and KRPC call rates (years 2001–2007), and in mortality rates (years 2001–2005). The highest methadone related inpatient hospitalization rates and mortality rates were observed in the rural Appalachian region of Kentucky. Inpatient methadone related hospitalizations occurred most frequently among males from 25 to 34 years of age and among females from 35 to 44 years of age. Medicare and Medicaid were billed for over half of the patients over the age of 34 hospitalized for methadone related poisoning. The expected payer source for six of the inpatient hospitalization patients was workers' compensation, mostly due to unintentional methadone poisonings at work.ConclusionsUtilizing multiple data sources, the results of this study show that unintentional and intentional methadone related poisonings are a continuing and escalating problem in Kentucky, particularly in the Appalachian region. Copyright © 2010 John Wiley & Sons, Ltd.
Distress, anxiety, depression, and emotional well‐being in African‐American men with prostate cancer
Authors: Nelson Christian J. , Balk Eliana M. , Roth Andrew J. 
Published: January 2010

AbstractObjective: African‐American men have an incidence rate of prostate cancer 60% higher than Caucasian men. Over one‐quarter of men with prostate cancer experience significant distress, yet psychosocial research has rarely focused on African‐American men. This study presents novel data on emotional well‐being, distress, anxiety, and depression in African‐American men with prostate cancer.Methods: This archival research combined two databases (N=385 and N=367) comprised of 55 African‐American men with prostate cancer. Quality of life was assessed with the Functional Assessment of Cancer Therapy, distress was measured with the Distress Thermometer, and anxiety and depression were measured with the Hospital Anxiety and Depression Scale. African‐American and Caucasian men were matched on age, education, and stage of disease, and compared on emotional well‐being, distress, anxiety, and depression.Results: The mean age of the 55 African‐American was 63 years old. In non‐matched comparison, African‐American men had elevated levels of distress, anxiety, and depression similar to Caucasian men. African‐American men reported high levels of clinically significant distress (>31%) and anxiety (>23%). However, after matching the African‐American and Caucasian men, African‐American men reported higher mean scores on emotional well‐being (p<0.05) and a lower percentage of African‐American men displayed clinically significant depressive symptoms (p<0.05) compared with Caucasian men.Conclusions: After matching the sample, African‐American men seem to display a sense of resilience, demonstrating greater emotional well‐being and a lower incidence of clinically significant depressive symptoms, compared with Caucasian men. This is consistent with cross‐cultural research outside of prostate cancer. Continued research is needed to further elucidate the concept of resiliency in African‐American men with prostate cancer. Copyright © 2010 John Wiley & Sons, Ltd.
Proteomics of bacterial pathogenicity: Therapeutic implications
Authors: Windle Henry J. , Brown Paul A. , Kelleher Dermot P. 
Published: January 2010

AbstractIdentification of the molecular mechanisms of host–pathogen interaction is becoming a key focus of proteomics. Analysis of these interactions holds promise for significant developments in the identification of new therapeutic strategies to combat infectious diseases, a process that will also benefit parallel improvements in molecular diagnostics, biomarker identification and drug discovery. This review highlights recent advances in functional proteomics initiatives in infectious disease with emphasis on studies undertaken within physiologically relevant parameters that enable identification of the infectious proteome rather than that of the vegetative state. Deciphering the molecular details of what constitutes physiologically relevant host–pathogen interactions remains an underdeveloped aspect of research into infectious disease. The magnitude of this deficit will be largely influenced by the ease with which model systems can be established to investigate such interactions. As the selective pressures exerted by the host on an infecting pathogen are numerous, the adequacy of certain model systems should be considered carefully.
Understanding dendritic cell biology and its role in immunological disorders through proteomic profiling
Authors: Ferreira Gabriela Bomfim , Mathieu Chantal , Overbergh Lut 
Published: January 2010

AbstractDendritic cells (DC) have always been present on the bright spot of immune research. They have been extensively studied for the last 35 years, and much is known about their different phenotypes, stimulatory capacity, and role in the immune system. During the last 15 years, great attention has been given to studies on global gene and protein expression profiles during the differentiation and maturation processes of these cells. It is well understood that studying the proteome, together with information on the role of protein post‐translational modifications (PTM), will reveal the real dynamics of a living cell. The rapid increase of proteomic studies during the last decade describing the differentiation and maturation process in DCs, as well as modifications brought by the use of different compounds that either increase or decrease their immunogenicity, reflects the importance of understanding the molecular processes behind the functional properties of these cells. In the present review, we will give an overview of proteomic studies focusing on DCs. Thereby we will concentrate on the importance of these studies in understanding DC behavior from a molecular point of view and how these findings have aided in understanding the differences in functional properties of these cells.