bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and in vitro Antibacterial Activities of 5‐(2,3,4,5‐Tetrahydro‐1H‐chromeno[2,3‐d]pyrimidin‐5‐yl)pyrimidione Derivatives
Authors: Cheng Qingfang , Wang Qifa , Tan Ting , Wang Mingxiao , Chen Na 
Published: January 2012

AbstractA series of novel 5‐(2,3,4,5‐tetrahydro‐1H‐chromeno[2,3‐d]pyrimidin‐5‐yl)pyrimidione derivatives have been synthesized from substituted salicylaldehydes and barbituric acid or 2‐thiobarbituric acid in water catalyzed by phase transfer catalysis of triethylbenzyl ammonium chloride (TEBA). Elemental analysis, IR, 1H NMR, and 13C NMR elucidated the structures of all the newly synthesized compounds. In vitro antimicrobial activities of synthesized compounds have been investigated against Escherichia coli, Bacillus subtilis, Staphylococcus aureus, and Pseudomonas aeruginosa. These newly synthesized derivatives exhibited significant in vitro antibacterial activity.
Electrochemical Study on the Interaction of Irinotecan with Calf Thymus Double Stranded DNA
Authors: Hajian Reza , Huat Tan Guan 
Published: January 2012

AbstractVoltammetric behavior of Irinotecan (CPT‐11) was studied in a phosphate buffer (0.002 mol·L−1, pH 7.5) solution at the hanging mercury drop electrode (HMDE) using cyclic voltammetry (CV). CPT‐11 showed two irreversible cathodic peaks at −1.01 V and −1.09 V which involved two electrons and two protons in each reduction step. In addition, the interaction of Irinotecan with double‐stranded calf thymus DNA (ds‐DNA) was studied by CV at the HMDE employing an irreversible electrochemical equation. As a result of the reaction with ds‐DNA, the reduction peaks related to CPT‐11 were shifted in a negative direction and the peak currents were decreased. The diffusion coefficients of CPT‐11 in the absence (Df) and presence (Db) of ds‐DNA were calculated as 2.8×10−5 cm2·s−1 and 1.6×10−5 cm2·s−1 respectively. The binding constant (K=1.0×104 L·mol−1), and binding site size (s=0.60) of CPT‐11 interacting with ds‐DNA were obtained simultaneously by non‐linear fit analysis. The results demonstrate that the main interaction mode of CPT‐11 with ds‐DNA is electrostatic.
Efficient Synthesis of β‐Acetamido Ketones and Esters Using Aluminum Chloride as an Inexpensive and Green Catalyst
Authors: Mohammad Ali Zolfigol , Ardeshir Khazaei , Mohammad Mokhlesi , Abdolkarim Zare , Maliheh Safaiee , Fatemeh Derakhshan‐Panah , Hassan Keypour , Ahmad Ali Dehghani‐Firouzabadi , Maria Merajoddin 
Published: January 2012

AbstractAluminum chloride (AlCl3) efficiently catalyzes one‐pot multicomponent condensation of enolizable ketones or alkyl acetoacetates with aldehydes, acetonitrile and acetyl chloride to afford β‐acetamido ketone or ester derivatives in high to excellent yields and in relatively short reaction times. Moreover, by this synthetic method, some novel β‐acetamido ketones and esters (i.e. one complex structure) are prepared.
Theoretical Studies on the Hydrogen‐bonding and π‐Stacking Interactions in the m‐Nisoldipine Polymorphism Dimers
Authors: Zhu Min , Meng Lingpeng , Zheng Shijun , Wang Jing , Zeng Yanli 
Published: January 2012

AbstractThe intermolecular interactions in the dimers of m‐nisoldipine polymorphism were studied by B3LYP calculations and quantum theory of "atoms in molecules" (QTAIM) studies. Four geometries of dimers were obtained: dimer I (a‐dimer, O···HN), dimer II (b‐dimer, O···HN), dimer III (b‐dimer, π‐stacking‐c), and dimer IV (b‐dimer, π‐stacking‐p). The interaction energies of the four dimers are along the sequence of II>I>III>IV. The intermolecular distance of the interactions follows the order: I (O···HN)<II (O···HN), and III (π‐stacking)<IV (π‐stacking). Both the O···HN hydrogen‐bonding and π‐stacking interactions belong to weak non‐covalent interactions. The O···HN hydrogen‐bonding interactions with more electrostatic characters are stronger than the Π‐stacking interactions. The strength of the weak interactions decreases in the order: I>II>III>IV, and the electrostatic character decreases along the sequence: I>II>III>IV.
Formal system‐level design space exploration
Authors: Knorreck Daniel , Apvrille Ludovic , Pacalet Renaud 
Published: January 2012

SUMMARYDIPLODOCUS is a UML profile intended for the modeling and the formal verification of real‐time and embedded applications commonly executed on complex Systems‐on‐Chip. DIPLODOCUS implements the Y‐chart approach, that is, application and HW architecture (e.g., CPUs, bus, memories) are first described independently and are subsequently related to each other in a mapping stage. Abstract tasks and communication primitives are therefore mapped onto platform elements like buses and CPUs. DIPLODOCUS endows all models with a formal semantics, thereby paving the way for formal proofs both before and after mapping. More concretely, application, architecture, and mapping models can be edited in TTool – an open‐source toolkit – using UML diagrams. Then, pre‐mapping or post‐mapping UML models may be automatically transformed into a LOTOS‐based representation. This specification is in turn amenable to model‐checking techniques to evaluate properties of the system, for example, safety, schedulability, and performance properties. A smart card system serves as case study to illustrate the formal verification capabilities of DIPLODOCUS. Copyright © 2012 John Wiley & Sons, Ltd.
Equation of State of Dense Plasma Mixtures: Application to the Sun Center
Authors: Pain J.C. , Dejonghe G. , Blenski T. 
Published: January 2012

AbstractWe present a self‐consistent approach to the modeling of dense plasma mixtures in local thermodynamic equi‐librium. In each electron configuration the nucleus is totally screened by electrons in a Wigner‐Seitz sphere (ion‐sphere model). Bound and free electrons are treated quantum‐mechanically. The assumption that all species should have the same electronic environment leads to the equality of the electronic pressure for all ions of all elements having therefore different cell volumes. The variation of the average atomic radii of the different elements with respect to temperature is investigated, and the procedure is applied to the determination of pressure in the Sun center (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Isentropic Compression of Deuterium by Quantum Molecular Dynamics
Authors: Chentsov A. V. , Levashov P. R. 
Published: January 2012

AbstractIn this work we present our calculations of the compression isentrope of deuterium. We use an ab initio molecular dynamics approach to compute pressure and internal energy of dense deuterium in the range of temperatures 293–25000 K and densities 0.9–4.3 g/cm3. We then restore the isentrope and compare the results with experimental data and other theories. The position of the calculated isentrope slightly depends on the initial point and agrees with the low‐pressure part and the highest‐pressure point of the measurements. However, we do not observe the density jump registered experimentally at P ≈ 130 GPa (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
3‐dimensional morphometric analysis of murine bladder development and dysmorphogenesis
Authors: Carpenter Ashley , Paulus Andrew , Robinson Melissa , Bates Carlton M. , Robinson Michael L. , Hains David , Kline David , McHugh Kirk M. 
Published: January 2012

AbstractBackground: Disorders of the urinary tract represent a major cause of morbidity and impaired quality of life. To better understand the morphological events responsible for normal urinary tract development, we performed 3‐D reconstructive analysis of developing mouse bladders in control, mgb−/−, and Fgfr2Mes−/− mice. Results: Detrusor smooth muscle differentiation initiated in the bladder dome and progressed caudally with the leading edge extending down the right posterior surface of the bladder. Gender‐specific differences in detrusor smooth muscle development were observed during early embryonic development. Bladder trigone morphology transitioned from an isosceles to equilateral triangle during development due to the preferential lengthening of the urethra to ureter distance. The primary defect observed in mgb−/− bladders was a significant reduction in detrusor smooth muscle differentiation throughout development. Deviations from normal trigone morphology correlated best with VUR development in Fgfr2Mes−/− mice, while alterations in intravesicular tunnel length did not. Conclusions: Multivariate morphometric analysis provides a powerful tool to quantify and assess urinary tract development. Developmental Dynamics 241:522–533, 2012. © 2012 Wiley Periodicals, Inc.
Does the overvaluation of shape and weight predict initial symptom severity or treatment outcome among patients with binge eating disorder?
Authors: Ojserkis Rachel , Sysko Robyn , Goldfein Juli A. , Devlin Michael J. 
Published: January 2012

AbstractObjective:To examine whether overvaluation of shape and weight is associated with initial symptom severity or treatment outcome among patients with binge eating disorder (BED).Method:Patients with BED (n = 116) completed assessments at baseline and treatment termination, including the Eating Disorder Examination (EDE) and self‐report measures of eating‐related cognitions and behaviors, depression, and self‐esteem. Clinical overvaluation was determined by EDE.Results:The clinical overvaluation group demonstrated significantly higher pre‐treatment scores on measures of depression, behavioral and cognitive aspects of binge eating, and eating‐related psychopathology, and lower self‐esteem scores than individuals without overvaluation. At treatment termination, patients with overvaluation continued to display elevated scores on measures of binge eating severity at a trend level.Discussion:Overvaluation of shape and weight was associated with symptom severity in patients with BED, but additional research is needed to determine whether this construct holds clinically useful predictive validity for treatment outcome. © 2012 by Wiley Periodicals, Inc. (Int J Eat Disord 2012)
Regiospecific analysis of TAGs using chromatography, MS, and chromatography‐MS
Authors: Kalo Paavo J. , Kemppinen Asmo 
Published: January 2012

AbstractIn last two decades, rapid development of analytical methods and their combinations have enabled powerful chromatographical resolution of the regioisomers of TAGs, and their reliable determination by MS using soft ionization methods. In this review article, the resolution of TAG regioisomers by chromatography alone using silver‐ion HPLC, reversed‐phase (RP)‐HPLC, and high‐resolution gas–liquid chromatography (GLC) will be presented. Further, the determination of regioisomers by MS solely, using negative ion chemical ionization tandem MS was reported. In addition, the determination of regioisomers by chromatography and MS using GLC and electron ionization (EI) MS, silver ion HPLC, and atmospheric pressure chemical ionization (APCI) or ESI MS, RP‐HPLC APCI‐MS, and RP‐ and normal‐phase (NP)‐HPLC and ESI‐MS‐MS, are discussed. The use of several LC columns in series, or use of two‐dimensional chromatography has resulted in excellent resolution of the regioisomers of TAGs. The resolution of regioisomers prior to mass spectrometric determination is an essential analytic step, especially, when the composition and structure of short‐chain TAGs, which contain abundantly other isobaric TAG, are analyzed.
What is an “appropriate” migrant? Impact of the adoption of meritocratic worldviews by potential newcomers on their perceived ability to integrate into a Western society
Authors: Testé Benoît , Maisonneuve Christelle , Assilaméhou Yvette , Perrin Samantha 
Published: January 2012

AbstractThe acceptance of migrant populations and the definition of an “appropriate” migrant are controversial issues in many countries. The present research focuses on the ideological determinants of how newcomers are evaluated by a host population in a Western country with a strongly rooted meritocratic ideology. We carried out two studies to examine how the expression of meritocratic beliefs by a male potential migrant affects the way he is evaluated by the host population. We measured the host population's perception of the potential migrant's ability to integrate into society, his tendency to adopt the host country's culture, and the general desirability of his world vision for all newcomers. We also noted the host population's judgments of the target's agency and communality. The results showed that a potential newcomer who expresses a strong (vs. weak) belief in a just world (Study 1) or an internal (vs. external) locus of control (Study 2) is evaluated more favorably by the host population. In addition, judgments of the target's integration capacity were only mediated by his perceived agency. We discuss these results in the light of work on the meritocratic ideology and intercultural relations. Copyright © 2012 John Wiley & Sons, Ltd.
Sex differences in analgesic response to ibuprofen are influenced by expectancy: A randomized, crossover, balanced placebo‐designed study
Authors: Butcher B.E. , Carmody J.J. 
Published: January 2012

AbstractAimTo determine whether there is a sex difference in placebo and ibuprofen analgesia expectancy.MethodsWe measured detection and tolerance thresholds for electrically induced pain in the ear lobe in healthy subjects (10 male, 10 female) to study sex differences in expectancy following either ibuprofen 800 mg or placebo in four different expectancy states. Subjects took ibuprofen or placebo in a two‐by‐two factorial design (the balanced placebo design). We randomly assigned subjects to start in one of the four expectancy states. We analysed the results using analysis of variance for repeated measures with baseline pain as a covariate.Results and conclusionWe found no sex difference in baseline pain threshold or tolerance levels. When partitioned by sex and expectancy state, analgesia only occurred in males during positive expectancy states at 2, 3 and 4 h post‐placebo, and at 1 and 2 h post‐ibuprofen. The time course of analgesic action in males was as expected considering the pharmacokinetic profile of ibuprofen. Our study found that dosages of 800 mg of ibuprofen are ineffective in producing analgesia in women regardless of their expectations. We hypothesize that ibuprofen analgesia is produced by a combination of specific pharmacological effects and a non‐specific beta endorphin‐mediated placebo effect. Whatever the mechanism responsible for the analgesic response seen in males, this research re‐emphasizes the importance of psychological factors in determining drug response. It also shows that these factors can differ between men and women, and thus the contribution of psychological factors on analgesia needs to be seriously re‐evaluated.
Effects of transcranial direct current stimulation on pain perception and working memory
Authors: Mylius V. , Jung M. , Menzler K. , Haag A. , Khader P.H. , Oertel W.H. , Rosenow F. , Lefaucheur J.‐P. 
Published: January 2012

AbstractPrevious studies have shown that non‐invasive stimulation of the dorsolateral prefrontal cortex (DLPFC) could modulate experimentally induced pain and working memory (WM) in healthy subjects. However, the two aspects have never been assessed concomitantly. The present study was set up to investigate the effects of transcranial direct current stimulation (tDCS) of the DLPFC on thermal pain and WM in the same population of healthy volunteers. In a randomized and balanced order of different sessions separated by 1 week, 20 min of 2 mA anodal, cathodal or sham tDCS were applied to the left or right DLPFC in two separate experiments. Twelve healthy volunteers were enrolled for each stimulated hemisphere. Warm and cold detection thresholds, heat and cold pain thresholds as well as heat pain tolerance thresholds were measured before, during and following tDCS. WM was assessed by a 2‐back task applied once during cortical stimulation. Anodal tDCS of the right DLPFC led to an increase of tolerance to heat pain. The 2‐back task revealed fewer outliers during cathodal tDCS of the left DLPFC. The present data show an involvement of the DLPFC in the processing of pain and WM. There was no correlation between these findings, suggesting that the analgesic effects of cortical stimulation are not associated with cognitive processing. However, this conclusion is difficult to affirm because of some limitations of the study regarding the parameters of stimulation or a ceiling effect of the 2‐back task for instance.
Use of selective serotonin reuptake inhibitors and risk of fracture: A systematic review and meta-analysis
Authors: Eom Chun-Sick , Lee Hyun-Ki , Ye Sungmin , Park Sang Min , Cho Kyung-Hwan 
Published: January 2012

Abstract
Previous studies have reported inconsistent findings regarding the association between the use of selective serotonin reuptake inhibitors (SSRIs) and the risk of fracture. We identified relevant studies by searching three electronic databases (MEDLINE, EMBASE, and the Cochrane Library) from their inception to October 20, 2010. Two evaluators independently extracted data. Because of heterogeneity, we used random-effects meta-analysis to obtain pooled estimates of effect. We identified 12 studies: seven case-control studies and five cohort studies. A meta-analysis of these 12 observational studies showed that the overall risk of fracture was higher among people using SSRIs (adjusted odds ratio [OR] = 1.69, 95% confidence interval [CI] 1.51–1.90, I2 = 89.9%). Subgroup analysis by adjusted number of key risk factors for osteoporotic fracture showed a greater increased fracture risk in those adjusted for fewer than four variables (adjusted OR = 1.83, 95% CI 1.57–2.13, I2 = 88.0%) than those adjusted for four or more variables (adjusted OR = 1.38, 95% CI 1.27–1.49, I2 = 46.1%). The pooled ORs anatomical site of fracture in the hip/femur, spine, and wrist/forearm were 2.06 (95% CI 1.84–2.30, I2 = 62.3%), 1.34 (95% CI 1.13–1.59, I2 = 48.5%), and 1.51 (95% CI 1.26–1.82, I2 = 76.6%), respectively. Subgroup analysis by exposure duration revealed that the strength of the association decreased with a longer window of SSRI administration before the index date. The risk of fracture was greater within 6 weeks before the index date (adjusted OR = 3.83, 95% CI 1.96–7.49, I2 = 41.5%) than 6 weeks or more (adjusted OR = 1.60, 95% CI 0.93–2.76, I2 = 63.1%). Fracture risk associated with SSRI use may have a significant clinical impact. Clinicians should carefully consider bone mineral density screening before prescribing SSRIs and proper management for high-risk populations. © 2012 American Society for Bone and Mineral Research.
An Efficient Microwave Assisted Eco‐friendly Synthesis of 6‐Chloro‐3‐(3‐arylacryloyl)‐2‐methyl‐4‐phenylquinolines and their Conversion to 6‐Chloro‐3‐(1‐phenyl‐5‐aryl‐4,5‐dihydro‐1H‐pyrazol‐ 3‐yl)‐2‐methyl‐4‐phenylquinolines
Authors: Sarveswari S. , Vijayakumar V. 
Published: January 2012

AbstractAn eco‐friendly basic alumina catalyzed protocol for the synthesis of some new quinolinyl chalcones has been developed by microwave assisted methods which in turn are converted to pyrazoline derivatives.
Rapid Sample Pretreatment, Identification and Determination of Active Constitutents in Water‐soluble Radix isatidis Extract via MAE, ESI‐MS and RODWs‐HPLC
Authors: Zhou Wei , Zhang Xiao‐Yan , Lv Yan‐Ping , Duan Geng‐Li 
Published: January 2012

AbstractIn this study, we successfully studied water‐soluble extract from Radix isatidis. Optimized conditions of MAE were listed, the sample can be extracted completely in 10 minutes under microwave power of 400W and solid/liquid ratio of 1:80. Active compounds in water‐soluble extract from R. isatidis were identified with HPLC‐DAD/ESI‐MS, these compounds followed by cytidine, uridine, guanosine, (R,S)‐goitrin and adenosine. RODWs–HPLC as a new sensitive chromatography were also first proposed and investigated, we favoringly used this method for simultaneous determination of these active constitutents in water‐soluble R. isatidis extract. Chromatographic separation was performed on a Diamonsil C18 column (5 μm, 150 mm × 4.6 mm) with a mobile phase gradient consisting of methanol and water at a flow‐rate of 1.0 mL/min, detection wavelengths 240, 250, 260 and 270 nm, the retention times of the tested five compounds were about 4.2, 5.8, 11.1, 14.2 and 20.8 min respectively, the limits of detection were 15, 12, 20, 5.8 and 24 ng/mL for cytidine, uridine, guanosine, (R,S)‐goitrin and adenosine respectively, their linear ranges were between 0.045 and 350 μg/mL with correlation coefficient (R) of 0.9998‐0.9999. The relative standard deviations (RSDs) of intra‐day and inter‐day assays were 0.30‐2.36% and 0.86‐2.54% respectively. Extraction recoveries were 94.25‐106.21%. This novel analytical method was shown to be simple, low‐cost, sensitive and reliable for multiple components in complex or undeveloped materials via MAE, ESI‐MS and RODWs‐HPLC.
Synthesis, Characterization and Oxide Ionic Conductivity of Binary β‐(Bi2O3)1‐x(Lu2O3)x System
Authors: Kalaycioglu Nilgun Ozpozan , Çırçır Esra 
Published: January 2012

AbstractIn this research, the effects of doping Lu2O3 to α‐Bi2O3 in the range of 0.01 < x < 0.10 in a series of different mole fractions (1% < n < 10% mole ratios) was studied. Beside, heat treatment was performed by applying a cascade temperature rise in the range of 700‐800 °C for 72 hours and new phases were obtained in the (Bi2O3)1‐x(Lu2O3)x system. After heat treatment for 72 hours at 800 °C; mixtures, containing 2‐8% mole Lu2O3, formed a tetragonal phase. As a result of subjecting mixtures, containing 9% and 10% mole Lu2O3, to a quenching process at 825 °C, tetragonal phases were obtained. With the help of XRD, the crystal systems and lattice parameters of the solid solutions were obtained and their characterization was carried out. Thermal measurements were made by using a simultaneous DTA/TG system. The total conductivity (σT) in the β‐Bi2O3 doped with Lu2O3 was measured using the four‐probe DC method.
Multi‐Dimensional Cobalt(II) and Nickel(II) Coordination Polymers
Authors: Hsu Shih‐Chen , Chiang Pei‐Shiuan , Liu Hsin‐Kuan , Lo Sheng‐Han , Lin Chia‐Her 
Published: January 2012

AbstractA series of metal coordination polymers, [Co2(NB)4(bpp)2(H2O)]·H2O (1), [Co2(e,e‐trans‐chdc)(e,a‐cis‐chdc)(bpp)2] (2), [Ni(e,e‐trans‐chdc)(bpp)(H2O)2] (3), [Ni2(PDA)2(bpp)2(H2O)3]·H2O (4), and [Ni‐(mBDC)(bpp)] (5) (NB = 3‐nitrobenzoate anion; bpp = 4,4′‐trimethylene dipyridine; chdc = cyclohexane‐1,4‐dicarboxylate anion; PDA = 1,4‐phenylenediacetate anion; mBDC = 1,3‐benzene dicarboxylate anion), were synthesized from metal ions and organic mixed‐ligands by hydrothermal reactions. The single crystal structure analysis revealed that 1, 3, and 4 were 2D sheets with bilayer (1 and 4) and 2‐fold interpenetrated layers (3), 2 is a 3D binodal (4,5)‐connected framework, and 5 is a 1D chains. The non‐covalent interactions of H‐bonds and π–π stacking caused this conformation of highly cross‐linked networks. Compounds 1‐5 were further characterized by thermal gravimetric analysis, powder X‐ray diffraction, UV‐vis, infrared, and PL spectroscopy.