bluuebunny/crossref_metadata_2025_split huggingface dataset:
Deviation of the KempsterLipson Law from Linearity
Authors: Fábry Jan , Kopecký Miloš , Krupková Radmila 
Published: July 2012

AbstractIt is shown that the larger organic molecules composed of C, H, N, and O at most crystallizing in the voluminous unit cells tend to be more loosely packed than those that crystallize in the unit cells with small volumes. This is demonstrated by the deviation from the linear relationship (KempsterLipson law) between the unit‐cell volumes and the sum of the non‐H‐atoms in the unit cell. This deviation can be distinguished from the effect of the varying number of H‐atoms in the described compounds: the ratio of the non‐H‐atom to the H‐atoms converges to a constant value close to 1 towards the large unit‐cell volumes. The proportion of the disordered structures increases towards the large unit‐cell volumes and thus correlates with the less dense packing of the large molecules. The deviation of the KempsterLipson law from linearity can be interpreted as the manifestation of decreasing ability of a crystallization of large molecules.
1,2‐Bis(trifluoromethyl)ethene‐1,2‐dicarbonitrile: Enol Ethers and Ketene Acetals as Cycloaddition Partners
Authors: Huisgen Rolf , Desmaison Gonzalo Urrutia 
Published: July 2012

Abstract(E)‐ and (Z)‐1,2‐bis(trifluoromethyl)ethene‐1,2‐dicarbonitrile ((E)‐ and (Z)‐BTE, resp., =(E)‐ and (Z)‐2,3‐bis(trifluoromethyl)but‐2‐enedinitrile) were used as a stereochemical probe in studying (2+2) cycloadditions of acceptor with donor alkenes. The additions to methyl (E)‐ and (Z)‐propenyl ether gave rise to the eight conceivable cyclobutanes 8, although in different ratios in reactions of (E)‐ and (Z)‐BTE. The 19F‐NMR data served the structural assignment and the quantitative analysis. The mechanistic discussion is based on rotations and ring closures of the assumed 1,4‐zwitterionic intermediates. Dimethylketene dimethyl acetal, methylketene dimethyl acetal, and ketene diethyl acetal show an increasing rate in their reactions with BTE as well as in the equilibration of the cycloadducts.
1,2‐Oxazine N‐Oxides as Catalyst Resting States in Michael Additions of Aldehydes to Nitro Olefins Organocatalyzed by α,α‐Diphenylprolinol Trimethylsilyl Ether
Authors: Seebach Dieter , Sun Xiaoyu , Sparr Christof , Ebert Marc‐Olivier , Schweizer W. Bernd , Beck Albert K. 
Published: July 2012

AbstractBy combining enamines, derived from aldehydes and diphenylprolinol trimethylsilyl ether (the Hayashi catalyst), with nitroethenes ((D6)benzene, 4‐Å molecular sieves, room temperature) intermediates of the corresponding catalytic Michael‐addition cycles were formed and characterized (IR, NMR, X‐ray analysis; Schemes 3–6 and Fig. 1–3). Besides cyclobutanes 2, 1,2‐oxazine N‐oxide derivatives 3–6 and 8 have been identified for the first time, some of which are very stable compounds. It may not be a lack of reactivity (between the intermediate enamines and nitro olefins) that leads to failure of the catalytic reactions (Schemes 3–5) but the high stability of catalyst resting states. The central role zwitterions play in these processes is discussed (Schemes 1 and 2).
Shaken but unstirred? Effects of micronutrients on stress and trauma after an earthquake: RCT evidence comparing formulas and doses
Authors: Rucklidge Julia J , Andridge Rebecca , Gorman Brigette , Blampied Neville , Gordon Heather , Boggis Anna 
Published: July 2012

ObjectiveTo compare two micronutrient (vitamins and minerals) formulas (Berocca™ and CNE™) and assess their impact on emotions and stress related to the 6.3 earthquake on February 22nd2011 in Christchurch, New Zealand.Methods91 adults experiencing heightened anxiety or stress 2–3 months following the earthquake were randomized to Berocca™, CNE™ low dose (CNE4), or CNE™ high dose (CNE8), for 28 days and monitored weekly via on‐line questionnaires and followed 1 month post‐trial. A nonrandomized control group (n = 25) completed questionnaires at baseline and 4 weeks.ResultsAll treatment groups experienced significant declines in psychological symptoms (p < .001). CNE™ groups experienced greater reduction in intrusive thoughts as compared with Berocca™ (p = .05), with no group differences on other measures of psychological symptoms. However, CNE8 group reported greater improvement in mood, anxiety, and energy (p < .05) with twice as many reporting being “much” to “very much” improved and five times more likely to continue taking CNE™ post‐trial than Berocca™ group. Treated participants had better outcomes on most measures over 4 weeks as compared to controls.ConclusionsThis study supports micronutrients as an inexpensive and practical treatment for acute stress following a natural disaster with a slight advantage to higher doses ACTRN 12611000460909. Copyright © 2012 John Wiley & Sons, Ltd.
Automated double red‐cell phlebotomy for the treatment of erythrocytosis
Authors: Choe Won Ho , Park Borae G. , Lee Kyoo‐Hyung , Lee Je‐Hwan , Lee Jung‐Hee , Kwon Seog‐Woon 
Published: July 2012

AbstractBackground: Phlebotomy has been used as a primary method for the treatment of erythrocytosis. As a new phlebotomy method, we used an automated component collection system (Alyx, Fenwal), which has been used to obtain two units of leukoreduced red blood cells (RBCs) from donors. We evaluated the effectiveness of “double red‐cell” phlebotomy (DRP) and compared it with conventional “whole‐blood” phlebotomy (WBP). Materials and Methods: We have performed a total of 596 phlebotomies in 158 patients with erythrocytosis between June 2008 and November 2011. Forty patients underwent 84 DRPs and 118 patients underwent 512 WBPs. We removed 360–420 mL of RBCs in DRP and 360–600 mL of whole blood in WBP according to patient's total blood volume (TBV). Changes in hematologic parameters after phlebotomy were compared. Results: DRP removed more RBC volume (399.4 ± 20.2 mL vs. 235.9 ± 29.8 mL, P < 0.05) and lowered more hematocrit than WBP (6.9% ± 2.3% vs. 3.0% ± 1.7%, P < 0.05). Hematocrit reduction per kilogram of body weight was higher by DRP than WBP (0.106% ± 0.043% vs. 0.039% ± 0.025%, P < 0.05). Mild adverse events occurred in 32.5% (13/40) during DRP and 4.2% (5/118) during WBP. Conclusion: DRP lowered more RBC mass than WBP by selectively removing more RBC volume with less TBV. DRP can be an effective and safe technique for the treatment of erythrocytosis. J. Clin. Apheresis 27:255–259, 2012. © 2012 Wiley Periodicals, Inc.
Shaping the nucleus: Factors and forces
Authors: Walters Alison D. , Bommakanti Ananth , Cohen‐Fix Orna 
Published: July 2012

AbstractTake a look at a textbook illustration of a cell and you will immediately be able to locate the nucleus, which is often drawn as a spherical or ovoid shaped structure. But not all cells have such nuclei. In fact, some disease states are diagnosed by the presence of nuclei that have an abnormal shape or size. What defines nuclear shape and nuclear size, and how does nuclear geometry affect nuclear function? While the answer to the latter question remains largely unknown, significant progress has been made towards understanding the former. In this review, we provide an overview of the factors and forces that affect nuclear shape and size, discuss the relationship between ER structure and nuclear morphology, and speculate on the possible connection between nuclear size and its shape. We also note the many interesting questions that remain to be explored. J. Cell. Biochem. 113: 2813–2821, 2012. © 2012 Wiley Periodicals, Inc.
Prokaryotic Nε‐lysine acetylomes and implications for new antibiotics
Authors: Xie Longxiang , Li Wu , Xie Jianping 
Published: July 2012

AbstractProtein Nε‐acetylation, a post‐translational modification widespread in eukaryotes and prokaryotes, has been intensively explored due to its crucial roles in multitudinous physiologic events including transcriptional regulation, metabolic regulation, etc. The particular hotspot is the relationship between acetylation and metabolic regulation. Protein acetylation major types and functions thereof, prokaryotic acetyltransferase, deacetylases, and acetylation sites of enzymes related to glycometabolism, together with the cross‐talk between acetylation and other modification, such as the phosphorylation were summarized, with emphases on those from Mycobacteria. J. Cell. Biochem. 113: 3601–3609, 2012. © 2012 Wiley Periodicals, Inc.
Aquaporin 2‐increased renal cell proliferation is associated with cell volume regulation
Authors: Di Giusto Gisela , Flamenco Pilar , Rivarola Valeria , Fernández Juan , Melamud Luciana , Ford Paula , Capurro Claudia 
Published: July 2012

AbstractWe have previously demonstrated that in renal cortical collecting duct cells (RCCD1) the expression of the water channel Aquaporin 2 (AQP2) raises the rate of cell proliferation. In this study, we investigated the mechanisms involved in this process, focusing on the putative link between AQP2 expression, cell volume changes, and regulatory volume decrease activity (RVD). Two renal cell lines were used: WT‐RCCD1 (not expressing aquaporins) and AQP2‐RCCD1 (transfected with AQP2). Our results showed that when most RCCD1 cells are in the G1‐phase (unsynchronized), the blockage of barium‐sensitive K+ channels implicated in rapid RVD inhibits cell proliferation only in AQP2‐RCCD1 cells. Though cells in the S‐phase (synchronized) had a remarkable increase in size, this enhancement was higher and was accompanied by a significant down‐regulation in the rapid RVD response only in AQP2‐RCCD1 cells. This decrease in the RVD activity did not correlate with changes in AQP2 function or expression, demonstrating that AQP2—besides increasing water permeability—would play some other role. These observations together with evidence implying a cell‐sizing mechanism that shortens the cell cycle of large cells, let us to propose that during nutrient uptake, in early G1, volume tends to increase but it may be efficiently regulated by an AQP2‐dependent mechanism, inducing the rapid activation of RVD channels. This mechanism would be down‐regulated when volume needs to be increased in order to proceed into the S‐phase. Therefore, during cell cycle, a coordinated modulation of the RVD activity may contribute to accelerate proliferation of cells expressing AQP2. J. Cell. Biochem. 113: 3721–3729, 2012. © 2012 Wiley Periodicals, Inc.
Acyclic Chromatic Indices of Planar Graphs with Girth At Least 4
Authors: Shu Qiaojun , Wang Weifan , Wang Yiqiao 
Published: July 2012

AbstractAn acyclic edge coloring of a graph G is a proper edge coloring such that no bichromatic cycles are produced. The acyclic chromatic index of G is the smallest integer k such that G has an acyclic edge coloring using k colors. Fiamik (Math. Slovaca 28 (1978), 139–145) and later Alon et al. (J Graph Theory 37 (2001), 157–167) conjectured that for any simple graph G with maximum degree Δ. In this article, we confirm this conjecture for planar graphs of girth at least 4.
A Sufficient Condition for Edge Chromatic Critical Graphs to Be Hamiltonian—An Approach to Vizing's 2‐Factor Conjecture
Authors: Luo Rong , Zhao Yue 
Published: July 2012

AbstractIn this article, we consider Vizing's 2‐Factor Conjecture which claims that any Δ‐critical graph has a 2‐factor, and show that if G is a Δ‐critical graph with n vertices satisfying , then G is Hamiltonian and thus G has a 2‐factor. Meanwhile in this article, we also consider long cycles of overfull critical graphs and obtain that if G is an overfull Δ‐critical graph with n vertices, then the circumference of G is at least min.© 2012 Wiley Periodicals, Inc. J. Graph Theory 00: 1‐14, 2012
Molecular Docking Study Based on Pharmacophore Modeling for Novel PhosphodiesteraseIV Inhibitors
Authors: Çifci Gülşah , Aviyente Viktorya , Akten E. Demet 
Published: July 2012

AbstractIn this study, pharmacophore modelling was carried out for novel PhosphodiesteraseIV (PDEIV) inhibitors. A pharmacophore‐based virtual screening, which resulted in 1959 hit compounds was performed with six chemical databases. The pharmacophore screening was proven to be successful in discriminating active and inactive inhibitors using a set of compounds with known activity obtained from ChEMBL database. Furthermore, the Lipinski’s rule of five was applied for physicochemical filtering of the hit molecules and this yielded 1840 compounds. Three docking software tools, AutoDock 4.0, AutoDock Vina, and Gold v5.1 were used for the docking process. All 1840 compounds and the known selective inhibitor, rolipram, were docked into the active site of the target protein. A total of 234 compounds with all three scoring values higher than those of rolipram were determined with the three docking tools. The interaction maps of 14 potent inhibitors complexed with PDEIV B and D isoforms have been analyzed and seven key residues (Asn 395, Gln 443, Tyr 233, Ile 410, Phe 446, Asp 392, Thr 407) were found to interact with more than 80 % of the potent inhibitors. For each one of the 234 hit compounds, using the bound conformation with the highest AutoDock score, the interacting residues were determined. 117 out of 234 compounds are found to interact with at least five of the seven key residues and these were selected for further evaluation. The conformation with the highest AutoDock score for each 117 compounds were rescored using the DSX scoring function. This yielded a total of 101 compounds with better score values than the natural ligand rolipram. For ADME/TOX calculations, the FAF‐Drugs2 server was used and 32 out of 101 compounds were found to be non‐toxic.
Promoting role of cholecystokinin 2 receptor (CCK2R) in gastrointestinal stromal tumour pathogenesis
Authors: Quattrone Anna , Dewaele Barbara , Wozniak Agnieszka , Bauters Marijke , Vanspauwen Vanessa , Floris Giuseppe , Schöffski Patrick , Chibon Frederic , Coindre Jean‐Michel , Sciot Raf , Debiec‐Rychter Maria 
Published: July 2012

AbstractThe cholecystokinin 2 receptor (CCK2R/CCKBR) is expressed in gastrointestinal stromal tumours (GISTs). We sought to investigate the role of CCK2R in GIST pathogenesis. Molecular characterization of CCK2R was performed on a heterogeneous cohort of 50 GISTs. In addition, CCK2R expression was evaluated by immunohistochemistry (IHC), using tissue microarray (TMA) containing 292 GISTs, two cases of hyperplasia of interstitial Cajal's cells (ICC) and six gastric microscopic GISTs. Mono‐allelic loss of the CCK2R/11p15 allele was identified in 13.7% of GISTs, having no impact on the level of CCK2R transcript expression. No CCK2R mutations were found. The CCK2Ri4sv, CCK2R splice variant with retention of intron 4 was detected in six of 20 tumours analysed. Wild‐type CCK2R transcripts were commonly expressed (57.1% of cases) and this expression was highly correlated with gastric primary site of GISTs (p < 0.001). At the protein level, expression of CCK2R in incidental ICC hyperplasia and early stages of gastric GIST development was documented, and its gastric association was confirmed on GIST‐TMA by IHC. To explore the in vivo effect of CCK2R activation on tumour growth, gastrin versus placebo was administered intraperitoneally in nude mice carrying human GIST xenografts. The tumour volume was followed for 10 weeks. The effect of this stimulation on tumour cell proliferation/apoptosis was assessed by IHC and KIT/PKC‐θ signalling was evaluated by western blotting (WB). In vivo experiments showed a two‐fold increase in the volume of tumours which were exposed to gastrin in comparison with non‐exposed controls (p = 0.03), with a significant increase in mitotic activity (p = 0.04) and Ki‐67 proliferation index (p = 0.008). By WB, gastrin stimulation resulted in hyper‐activation of KIT and PKC‐θ kinases, and in evident PI3K‐AKT pathway over‐activation. Our results indicate a promoting role of CCK2R on GIST tumourigenesis, particularly in tumours of gastric origin. Copyright © 2012 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Transcriptional profiling of human glioblastoma vessels indicates a key role of VEGF‐A and TGFβ2 in vascular abnormalization
Authors: Dieterich Lothar C , Mellberg Sofie , Langenkamp Elise , Zhang Lei , Zieba Agata , Salomäki Henriikka , Teichert Martin , Huang Hua , Edqvist Per‐Henrik , Kraus Theo , Augustin Hellmut G , Olofsson Tommie , Larsson Erik , Söderberg Ola , Molema Grietje , Pontén Fredrik , Georgii‐Hemming Patrik , Alafuzoff Irina , Dimberg Anna 
Published: July 2012

AbstractGlioblastoma are aggressive astrocytic brain tumours characterized by microvascular proliferation and an abnormal vasculature, giving rise to brain oedema and increased patient morbidity. Here, we have characterized the transcriptome of tumour‐associated blood vessels and describe a gene signature clearly associated with pleomorphic, pathologically altered vessels in human glioblastoma (grade IV glioma). We identified 95 genes differentially expressed in glioblastoma vessels, while no significant differences in gene expression were detected between vessels in non‐malignant brain and grade II glioma. Differential vascular expression of ANGPT2, CD93, ESM1, ELTD1, FILIP1L and TENC1 in human glioblastoma was validated by immunohistochemistry, using a tissue microarray. Through qPCR analysis of gene induction in primary endothelial cells, we provide evidence that increased VEGF‐A and TGFβ2 signalling in the tumour microenvironment is sufficient to invoke many of the changes in gene expression noted in glioblastoma vessels. Notably, we found an enrichment of Smad target genes within the distinct gene signature of glioblastoma vessels and a significant increase of Smad signalling complexes in the vasculature of human glioblastoma in situ. This indicates a key role of TGFβ signalling in regulating vascular phenotype and suggests that, in addition to VEGF‐A, TGFβ2 may represent a new target for vascular normalization therapy. Copyright © 2012 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Matrix Solid‐phase Dispersion Extraction for Chromatographic Analysis of Labdane Diterpenoids in Coleus forskohlii
Authors: Yin Jiajun , Wang Yaqin , Tan Bo , Kang Yun , Xie Daotao , Tian Lulu , Huang Jianming 
Published: July 2012

ABSTRACTIntroductionThe quality of Coleus forskohlii is often evaluated by high performance liquid chromatography (HPLC), using bioactive labdane diterpenoids as chemical markers. However, the existing sample preparation methods for the analysis of diterpenoids in C. forskohlii are generally labour‐intensive, time‐consuming and require large volumes of solvents.ObjectiveTo establish an efficient matrix solid‐phase dispersion (MSPD) extraction method for the simultaneous analysis of five bioactive diterpenoids in C. forskohlii by HPLC.MethodologyHerbal samples were prepared by an optimised MSPD procedure using C18 as the sorbent. The quantification of the diterpenoids was achieved by HPLC with evaporative light scattering detector (ELSD), and the identification of the five compounds was performed by HPLC with tandem mass detector (MS/MS). The efficiency of the MSPD method was also compared with other extraction techniques including Soxhlet extraction, heat reflux extraction, ultrasonic‐assisted extraction and microwave‐assisted extraction.ResultsThe MSPD extracted five diterpenoids with satisfactory recoveries ranging from 98.36% to 102.08%. Compared with other extraction methods, the proposed MSPD method had the advantages of combining extraction and clean‐up into a single step, consuming less time and requiring lower solvent volumes.ConclusionThe MSPD method is simple, rapid and efficient for the extraction of labdane diterpenoids from C. forskohlii. The MSPD procedure coupled with HPLC–ELSD or HPLC–MS/MS is suitable for the quantification and identification of the diterpenoids in C. forskohlii. Copyright © 2012 John Wiley & Sons, Ltd.
Impact of physician preferences for homeopathic or conventional medicines on patients with musculoskeletal disorders: results from the EPI3‐MSD cohort
Authors: Rossignol Michel , Begaud Bernard , Engel Pierre , Avouac Bernard , Lert France , Rouillon Frederic , Bénichou Jacques , Massol Jacques , Duru Gerard , Magnier Anne‐Marie , Guillemot Didier , Grimaldi‐Bensouda Lamiae , Abenhaim Lucien ,   for the EPI3‐LA‐SER group
Published: July 2012

ABSTRACTObjectiveThe objective of this study was to assess the effect of physician practicing preferences (PPP) in primary care for homeopathy (Ho), CAM (Complementary and alternative medicines) with conventional medicine (Mx) or exclusively conventional medicine (CM) on patients with musculoskeletal disorders (MSDs), with reference to clinical progression, drug consumption, side effects and loss of therapeutic opportunity.MethodsThe EPI3‐MSD study was a nationwide observational cohort of a representative sample of general practitioners (GP) and their patients in France. Recruitment of GP was stratified by PPP, which was self‐declared. Diagnoses and comorbidities were recorded by GP at inclusion. Patients completed a standardized telephone interview at inclusion, one, three and twelve months, including MSD‐functional scales and medication consumption.Results1153 MSD patients were included in the three PPP groups. Patients did not differ between groups except for chronicity of MSDs (>12 weeks), which was higher in the Ho group (62.1%) than in the CM (48.6%) and Mx groups (50.3%). The twelve‐month development of specific functional scores was identical across the three groups after controlling for baseline score (p > 0.05). After adjusting for propensity scores, NSAID use over 12 months was almost half in the Ho group (OR, 0.54; 95%CI, 0.38–0.78) as compared to the CM group; no difference was found in the Mx group (OR, 0.81; 95% CI: 0.59–1.15).ConclusionMSD patients seen by homeopathic physicians showed a similar clinical progression when less exposed to NSAID in comparison to patients seen in CM practice, with fewer NSAID‐related adverse events and no loss of therapeutic opportunity. Copyright © 2012 John Wiley & Sons, Ltd.
Thermal expansion of Cu(II)O nano‐ and micro‐particles and composites at cryogenic temperatures
Authors: Neely Lauren A. , See Erich M. , Robinson Hans D. , Kochergin Vladimir 
Published: July 2012

AbstractA systematic study of the thermal expansion of copper oxide (CuO) nanoparticles and copper oxide‐based composites, prepared by a range of techniques, was performed at cryogenic temperatures in the effort to reproduce recently reported giant negative coefficient of thermal expansion (CTE) of CuO nanoparticles. Chemically synthesized CuO nanoparticles, nanoparticles formed by ball milling of CuO material, CuO nanoparticles with differing surface functionalization, particles subjected to post‐treatments such as electron irradiation, and embedded into various resins or compacted at high pressures were studied by dilatometry and X‐ray diffraction (XRD) at temperatures between 20 and 300 K. None of the samples exhibited large negative CTE in the examined temperature range.
On the stability of elastic nanoparticles
Authors: Petrov M. I. , Melehin V. G. , Lipovskii A. A. 
Published: July 2012

AbstractRecent studies aimed at modification and destruction of metal nanoparticles via laser pulse and DC electric field treatment require careful analyses of charge and field instability of metal nanoparticles. Though the stability bounds of liquid drops are known well, the stability conditions of rigid nanoparticle surrounded by elastic media are still not clear. In this work we have revealed the boundaries of charge and electric field stability for rigid nanoparticles.magnified image
Charge‐field stability bounds of silver nanoparticle embedded in glass.