bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Monocyclic Hetarenes with π‐Electron Aromatic Sextet
Authors: Balaban Alexandru T. 
Published: June 2010

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Fragment‐Based Screening by X‐Ray Structure Analysis
Authors: Yamano Akihito 
Published: June 2010

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Stereoselective metabolism of benalaxyl in liver microsomes from rat and rabbit
Authors: Zhang Ping , Zhu Wentao , Dang Ziheng , Shen Zhigang , Xu Xinyuan , Huang Ledan , Zhou Zhiqiang 
Published: June 2010

AbstractBenalaxyl (BX), methyl‐N‐phenylacetyl‐N‐2,6‐xylyl alaninate, is a potent acylanilide fungicide and consist of a pair of enantiomers. The stereoselective metabolism of BX was investigated in rat and rabbit microsomes in vitro. The degradation kinetics and the enantiomer fraction (EF) were determined using normal high‐performance liquid chromatography with diode array detection and a cellulose‐tris‐(3,5‐dimethylphenylcarbamate)‐based chiral stationary phase (CDMPC‐CSP). The t1/2 of (−)‐R‐BX and (+)‐S‐BX in rat liver microsomes were 22.35 and 10.66 min of rac‐BX and 5.42 and 4.03 of BX enantiomers. However, the t1/2 of (−)‐R‐BX and (+)‐S‐BX in rabbit liver microsomes were 11.75 and 15.26 min of rac‐BX and 5.66 and 9.63 of BX enantiomers. The consequence was consistent with the stereoselective toxicokinetics of BX in vitro. There was no chiral inversion from the (−)‐R‐BX to (+)‐S‐BX or inversion from (+)‐S‐BX to (−)‐R‐BX in both rabbit and rat microsomes. These results suggested metabolism of BX enantiomers was stereoselective in rat and rabbit liver microsomes. Chirality, 2011. © 2010 Wiley‐Liss, Inc.
High performance liquid chromatography enantioseparation of the novel designed mexiletine derivatives and its analogs
Authors: Zheng Chengzhen , Zhang Datong , Wu Qi , Lin Xianfu 
Published: June 2010

AbstractA series of novel designed mexiletine derivatives and its analogs were prepared, the structures were confirmed by Nuclear Magnetic Resonance (NMR), Fourier Transform Infrared Spectroscopy (FTIR), and Electrospray Ionization‐Mass Spectrometry (ESI‐MS), and the enantioseparations were performed on polysaccharide‐based chiral stationary phase (CSP), Chiralcel OD‐H, and Chiralcel OJ‐H, under normal‐phase mode. The effects of the concentration of isopropanol in the mobile phase were studied, seven of the eight enantiomers got baseline separation on Chiralcel OD‐H, and five of the eight enantiomers got successfully separation on Chiralcel OJ‐H. The effects of structural features were also discussed. Chirality, 2011. © 2010 Wiley‐Liss, Inc.
A Combined High‐Resolution Mass Spectrometric and in silico Approach for the Characterisation of Small Ligands of β2‐Microglobulin
Authors: Regazzoni Luca , Bertoletti Laura , Vistoli Giulio , Colombo Raffaella , Aldini Giancarlo , Serra Massimo , Carini Marina , Caccialanza Gabriele , De Lorenzi Ersilia 
Published: June 2010

Abstractβ2‐Microglobulin (β2‐m) is a protein responsible for a severe complication of long‐term hemodialysis, known as dialysis‐related amyloidosis, in which initial β2‐m misfolding leads to amyloid fibril deposition, mainly in the skeletal tissue. Whereas much attention is paid to understanding the complex mechanism of amyloid formation, the evaluation of small molecules that may bind β2‐m and possibly inhibit the aggregation process is still largely unexplored mainly because the protein lacks a specific active site. Based on our previous findings, we selected a pilot set of sulfonated molecules that are known to either bind or not to the protein, including binders that are anti‐amyloidogenic. We show how a complementary approach, using high‐resolution mass spectrometry and in silico studies, can offer rapid and precise information on affinity, as well as insight into the structural requisites that favour or disfavour the inhibitory activity. Overall, this approach can be used for predictive purposes and for a rapid screening of fibrillogenesis inhibitors.
Synthesis, 3D‐QSAR, and Structural Modeling of Benzolactam Derivatives with Binding Affinity for the D2and D3Receptors
Authors: López Laura , Selent Jana , Ortega Raquel , Masaguer Christian F. , Domínguez Eduardo , Areias Filipe , Brea José , Loza María Isabel , Sanz Ferran , Pastor Manuel 
Published: June 2010

AbstractA series of 37 benzolactam derivatives were synthesized, and their respective affinities for the dopamine D2and D3receptors evaluated. The relationships between structures and binding affinities were investigated using both ligand‐based (3D‐QSAR) and receptor‐based methods. The results revealed the importance of diverse structural features in explaining the differences in the observed affinities, such as the location of the benzolactam carbonyl oxygen, or the overall length of the compounds. The optimal values for such ligand properties are slightly different for the D2and D3receptors, even though the binding sites present a very high degree of homology. We explain these differences by the presence of a hydrogen bond network in the D2receptor which is absent in the D3receptor and limits the dimensions of the binding pocket, causing residues in helix 7 to become less accessible. The implications of these results for the design of more potent and selective benzolactam derivatives are presented and discussed.
Off‐Target Effects Related to the Phosphorothioate Modification of Nucleic Acids
Authors: Winkler Johannes , Stessl Martina , Amartey Jennifer , Noe Christian R. 
Published: June 2010

AbstractPhosphorothioate antisense oligonucleotides have been widely used in clinical studies for rational sequence‐specific gene silencing. However, several sequence‐unspecific off‐target effects have been recently described for this compound class. In contrast to siRNA‐mediated knockdown of the same gene, the bcl‐2‐targeted oblimersen (Genasense, G3139) downregulates a number of proteins involved in apoptotic resistance and several glycolytic enzymes in 607B human melanoma cells. Regardless of their target, phosphorothioate‐modified antisense and siRNA compounds, but not oligonucleotides with a phosphodiester backbone, resulted in a similar impact on the proteome. Unspecifically downregulated proteins include cancer markers involved in apoptotic resistance and endoplasmatic reticulum (ER) stress such as the 78 kDa glucose regulated protein (GRP 78), protein disulfide isomerase A3 (PDIA3, GRP 58), calumenin, and galectin‐1, as well as the glycolytic enzymes triose phosphate isomerase, glyceraldehyde phosphodehydrogenase, and phosphoglycerate mutase. The depletion of the glycolytic enzymes is reflected by a decrease in L‐lactate production, indicating a partial reversal of the Warburg effect. Compared with other phosphorothioate oligonucleotides, oblimersen generally led to a more pronounced effect both in terms of the number of influenced proteins and the extent of downregulation, suggesting a synergistic effect of Bcl‐2 downregulation.
Neighborhood socioeconomic status and behavioral pathways to risks of colon and rectal cancer in women
Authors: Kim Daniel , Masyn Katherine E. , Kawachi Ichiro , Laden Francine , Colditz Graham A. 
Published: June 2010

AbstractBACKGROUND:Neighborhood amenities and resources plausibly determine individual modifiable risk factors for colon and rectal cancer. Evidence on the associations between neighborhood socioeconomic status (SES) and incident colon and rectal cancer is limited.METHODS:The authors analyzed a prospective cohort of 111,129 women in the Nurses' Health Study with no history of cancer in 1986 followed to 2006. Neighborhood SES was based on Census‐derived characteristics of block groups of residence. Cox models were used to estimate the multivariate‐adjusted associations between neighborhood SES and incident colon and rectal cancer, and to examine for effect modification. For significant associations, path models were estimated with behavioral risk factors included as potential mediators.RESULTS:Neighborhood SES was unassociated with colon cancer among all women. However, among women with college or greater education, higher neighborhood SES was inversely related to colon cancer (P for trend = .01; P for interaction between neighborhood SES and education = .03). Path analysis suggested mediation by red meat intakes and body mass index (BMI). Higher neighborhood SES was inversely related to rectal cancer among all women (relative risk in highest quintile, 0.64; 95% confidence interval, 0.44‐0.93; P for trend = .08). Path analysis was consistent with mediation by multivitamin use and BMI.CONCLUSIONS:These findings suggest that living in a higher‐SES neighborhood may protect against rectal cancer in women and colon cancer in higher‐educated women, mediated by selected behavioral risk factors. Risk factor differences between colon and rectal cancer may account for discrepancies in estimated neighborhood effects by cancer site. Cancer 2010. © 2010 American Cancer Society.
Forgoing medical care because of cost
Authors: Weaver Kathryn E. , Rowland Julia H. , Bellizzi Keith M. , Aziz Noreen M. 
Published: June 2010

AbstractBACKGROUND:Many US cancer survivors live years after diagnosis, which emphasizes the importance of healthcare access for survivors. It is not known whether having cancer has an impact on disparities in healthcare access that are present in the general population. The objective of this study was to examine the prevalence of forgoing care because of financial concerns in a representative sample of US adults to determine whether cancer history and race/ethnicity are associated with the likelihood of forgoing medical care.METHODS:Data from the US National Health Interview Survey (NHIS) from 2003 to 2006 were used to identify 6602 adult cancer survivors and 104,364 individuals who had no history of cancer. Self‐reports of forgoing medical care services because of cost were analyzed according to cancer history and race/ethnicity using multivariate logistic regression.RESULTS:The prevalence of forgoing care because of cost among cancer survivors was 7.8% for medical care, 9.9% for prescription medications, 11.3% for dental care, and 2.7% for mental healthcare. Cancer survivors aged <65 years were more likely to delay or forgo all types of medical care compared with adults who did not have a history of cancer. Hispanic and black cancer survivors were more likely to forgo prescription medications and dental care than white survivors. Disparities among cancer survivors largely were reflective of those in the general adult population.CONCLUSIONS:More than 2 million US cancer survivors did not get 1 or more needed medical services because of financial concerns during the studied period. Future research needs to examine the impact of forgoing care on survivors' quality of life and survival. Cancer 2010. Published 2010 by the American Cancer Society.
Microwave dielectric properties of (1‐x)La(Mg0.5Sn0.5)O3‐x(Sr0.8Ca0.2)3Ti2O7 ceramic system with a near zero temperature coefficient of resonant frequency
Authors: Chen Yih‐Chien , Wang Yen‐Nien , Chen Kai‐Hao 
Published: June 2010

AbstractIn this study, the microwave dielectric properties of (1‐x)La(Mg0.5Sn0.5)O3‐x(Sr0.8Ca0.2)3Ti2O7 ceramic system prepared by the conventional solid‐state method have been investigated for application in mobile communication. It was found that the diffraction peaks of (1‐x)La(Mg0.5Sn0.5)O3‐x(Sr0.8Ca0.2)3Ti2O7 ceramic system shift to higher angles as x increases from 0.2 to 0.4. It was also found that the X‐ray diffraction patterns of the 0.8La(Mg0.5Sn0.5)O3‐0.2(Sr0.8Ca0.2)3Ti2O7 ceramics exhibited no significant phase difference at different sintering temperatures. The average grain size of the (1‐x)La(Mg0.5Sn0.5)O3‐x(Sr0.8Ca0.2)3Ti2O7 ceramic system decreased from 6.4 to 4.3 μm as the value of x increased from 0.2 to 0.4 sintered at 1550 °C for 4 h. The dielectric constant increased from 26.6 to 35.9 and the quality factor (Q×f) decreased from 31,600 to 23,300 GHz for (1‐x)La(Mg0.5Sn0.5)O3‐x(Sr0.8Ca0.2)3Ti2O7 ceramic system as the x value increases from 0.2 to 0.4 sintered at 1550 °C for 4 h. The average value of temperature coefficient of resonant frequency (τf) increased from ‐18 to +8 ppm/ K as the x value increases from 0.2 to 0.4. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Crystal structure of caesium hydrogen (L)‐aspartate and an overview of crystalline compounds of aspartic acid with inorganic constituents
Authors: Fleck M. , Emmerich R. , Bohatý L. 
Published: June 2010

AbstractThe crystal structure of the new polar compound caesium hydrogen (L)‐aspartate, Cs(C4H6NO4), (abbreviated: Cs(L ‐AspH)) was determined from single crystal X‐ray diffraction data; it comprises two crystallographically different L ‐AspH anions that are connected via caesium cations to form a three dimensional framework. The Cs ions are irregularly sevenfold [Cs1O7] respectively eightfold [Cs2O8] coordinated to all α– and β– carboxylate oxygen atoms. Cs(L ‐AspH) represents a novel structure type of its own, as do most compounds of (L)‐aspartic acid with inorganic constituents. A brief summary of such structurally known aspartates is given. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Synthesis of anisotropic gold nanoparticles using xylitol as a dual functional reductant and stabilizer
Authors: Zhu Jinmiao , Yao Chengli , Yuan Xinsong , Chen Chen , Qi Chunxia , Xia Yuehua , Dong Lin 
Published: June 2010

AbstractThe morphology of gold nanoparticles was controlled with hydrogentetrachloroaurate (HAuCl4) and xylitol through a hydrothermal process using xylitol as reducing agent and controlled reagent. The molar ratio of xylitol relative to HAuCl4, reaction time and temperature played important roles in determining the geometric shape and size of the product. These nanoplates were single crystals with planar width of 80‐500 nm. The formation of nanobelts and two‐dimensional single‐crystal nanosheets is explained by the preferential adsorption of xylitol molecules from the solution onto the {111} planes of Au nuclei. These nanosheets could be used, for example, in gas sensors, in the fabrication of nanodevices and substrate materials, in property studies, and also for inducing hypothermia in tumors. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Structural and energetic aspects of the differences between real and predicted polymorphs
Authors: Svärd M. , Rasmuson Å. C. 
Published: June 2010

AbstractIn crystal structure prediction simulations based on lattice energy minimization, usually hundreds of structures within a reasonable range of lattice energy and density are found, whereas in practice, it is very rare to find more than a few polymorphs of the same compound. In the work presented here, this discrepancy is investigated from a structural and energetic point of view. 56 crystal structures of 26 polymorphic mono‐ and disubstituted aromatic compounds, extracted from the Cambridge Structural Database, have been analysed with respect to inter‐polymorphic structural similarity. For comparison, potential crystal packing arrangements of the substances have been predicted with molecular mechanics simulations using a generic force field. The predicted structures are analysed with respect to structural features and similarity, and with respect to the number of structures and their lattice energy. It is found that the real polymorphs studied in this work tend to be structurally quite dissimilar with regard to hydrogen bonding and spatial packing of structural motifs, while many of the predicted structures of a given compound are very similar to each other. The results suggest that structure and lattice energy alone cannot explain why so few polymorphs are found in practice compared to the very large numbers predicted in simulations. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Thinnest Two‐Dimensional Nanomaterial—Graphene for Solar Energy
Authors: Hu Yun Hang , Wang Hui , Hu Bo 
Published: June 2010

AbstractGraphene is a rapidly rising star in materials science. This two‐dimensional material exhibits unique properties, such as low resistance, excellent optical transmittance, and high mechanical and chemical stabilities. These exceptional advantages possess great promise for its potential applications in photovoltaic devices. In this Review, we present the status of graphene research for solar energy with emphasis on solar cells. Firstly, the preparation and properties of graphene are described. Secondly, applications of graphene as transparent conductive electrodes and counter electrodes are presented. Thirdly, graphene‐based electron‐ (or hole) accepting materials for solar energy conversion are evaluated. Fourthly, the promoting effect of graphene on photovoltaic devices and the photocatalytic property of graphene–semiconductor composites are discussed. Finally, the challenges to increase the power conversion efficiency of graphene‐based solar cells are explored.
Relationship of microparticles to progenitor cells as a measure of vascular health in a diabetic population
Authors: Curtis Anne M. , Zhang Lifeng , Medenilla Elizabeth , Gui Ming , Wilkinson Patrick F. , Hu Erding , Giri Jay , Doraiswamy Vijay , Gunda Sampath , Burgert Mark E. , Moore Jonni S , Edelberg Jay M. , Mohler Emile R. 
Published: June 2010

AbstractObjective:Quantitative measures are needed to identify diabetic patients at higher risk for CV events. Cell‐derived microparticles (MPs) are submicron membrane vesicles released from activated cells that are indicative of cell damage. Progenitor cells (PCs) including proangiogenic cells (PACs), often termed endothelial progenitor cells (EPCs), are mediators of reparative capacity. We examined whether the relationship of MPs to PCs/PACs could be used as an improved and clinically feasible index of vascular pathology.Methods and Results:Plasma samples were collected from patients with early‐stage (ES, Diagnosis < 1year) and long‐term (LT, Diagnosis > 5 years,) Type 2 diabetes and compared with age related healthy subjects (H). PC and MP subtypes were measured by a combination of flow cytometry and ELISA‐based methods. The ratio of procoagulant MPs/CD34+ PCs proved a valuable index to distinguish between subject groups (P = 0.01). This index of compromised vascular function was highest in the LT group despite intensive statin therapy and was more informative than a range of soluble protein biomarkers.Conclusions:This is the first report of a relationship between MPs and PCs in Type 2 diabetes. This ratio may provide a quantitative and clinically feasible measurement of vascular dysfunction and cardiovascular risk in patients with diabetes. © 2010 International Clinical Cytometry Society
Nichtlinearer Erdbebennachweis von Gebäuden aus Kalksandsteinmauerwerk nach DIN EN 1998
Authors: Butenweg Christoph , Gellert Christoph , Schlundt Andreas 
Published: June 2010

AbstractDie Erdbebensicherheit von Gebäuden aus Kalksandsteinmauerwerk ist aktuell nach DIN 4149 mit linearen Verfahren nachzuweisen. Dies führt in der praktischen Anwendung zu großen Problemen, da selbst traditionell übliche Grundrisse teilweise nicht mehr ohne zusätzliche Maßnahmen nachweisbar sind. Zur Lösung dieser Problematik wurden von der deutschen Mauerwerksindustrie auf nationaler und europäischer Ebene Forschungsprojekte initiiert, deren Ergebnisse in Form von statisch nichtlinearen Verfahren Eingang in den Nationalen Anhang zur DIN EN 1998‐1 [12] gefunden haben. Mit den Verfahren wird die Nachweissituation zukünftig grundlegend verbessert, da mit diesen die Tragwerksreserven wesentlich besser ausgenutzt werden können. Im Folgenden wird die Anwendung der Verfahren am Beispiel einer Reihenhauszeile aus Kalksandsteinmauerwerk demonstriert. Der Nachweis der Reihenhäuser wurde im Rahmen einer Zustimmung im Einzelfall, die vom Bundesverband Kalksandsteinindustrie eV in Hannover koordiniert wurde, durch unabhängige Gutachter und die Bauaufsicht eingehend geprüft und für richtig befunden. Die Durchführung des Nachweises erfolgte auf Grundlage eines an der RWTH Aachen entwickelten neuen Nachweiskonzeptes. Die baupraktische Anwendbarkeit und einfache Nachvollziehbarkeit dieses Konzepts ist durch eine softwaretechnische Umsetzung sichergestellt.Nonlinear seismic safety verification of calcium silicate masonry buildings according to DIN EN 1998. The standard procedure for the seismic safety verification of masonry buildings according to the seismic design provisions of the German seismic building code DIN 4149 is traditionally based on a linear design concept. The practical application of the linear design concept leads to major difficulties, even for ground plan configurations which have already proven their stability in past earthquakes. This challenging situation was the starting point for intensive research activities on national and European level, initiated by the German masonry industry. The most important result of the activities was the development of an innovative nonlinear design concept, which is already incorporated in the National Annex of DIN EN 1998‐1. The new concept, which fully utilizes the nonlinear bearing reserves, will solve the difficulties in the seismic design of masonry build ings. The application of the concept will be demonstrated on the example of a typical terraced house made of calcium silicate units. The design of the terraced house has been approved by national building authorities, because the new design concept is not part of the German earthquake code DIN 4149 yet. The concept, developed at the RWTH Aachen, was implemented into a software package. The software solution is easy to use and ensures the traceability of the nonlinear results in the engineering practice.