bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Concerted Approach for the Determination of Molecular Conformation in Ordered and Disordered Materials
Authors: Sehnert Jan , Senker Jürgen 
Published: May 2007

AbstractWe present the successful application of a concerted approach for the investigation of the local environment in ordered and disordered phases in the solid state. In this approach we combined isotope labeling with computational methods and different solid‐state NMR techniques. We chose triphenylphosphite (TPP) as an interesting example of our investigations because TPP exhibits two crystalline modifications and two different amorphous phases one of which is highly correlated. In particular we analyzed the conformational distribution in three of these phases. A sample of triply labeled 1‐[13C]TPP was prepared and 1D MAS as well as wide‐line 13C NMR spectra were measured. Furthermore we acquired 2D 13C wide‐line exchange spectra and used this method to derive highly detailed information about the phenyl orientation in the investigated TPP phases. For linkage with a structure model a DFT analysis of the TPP molecule and its immediate environment was carried out. The ab initio calculations of the 13C chemical shift tensor in three‐ and six‐spin systems served as a base for the calculation of 1D and 2D spectra. By comparing these simulations to the experiment an explicit picture of all phases could be drawn on a molecular level. Our results therefore reveal the high potential of the presented approach for detailed studies of the mesoscopic environment even in the challenging case of amorphous materials.
The First Direct Enzymatic Hydrolysis of Alicyclic β‐Amino Esters: A Route to Enantiopure cis and trans β‐Amino Acids
Authors: Forró Enikõ , Fülöp Ferenc 
Published: May 2007

AbstractThe first direct enzymatic method is reported for the synthesis of cis and trans β‐amino acid enantiomers through the lipase‐catalyzed enantioselective hydrolysis of alicyclic β‐amino esters in organic media. High enantioselectivities (E usually >100) were observed when the Candida antarctica lipase B catalyzed reactions were performed with H2O (0.5 equivalents) in iPr2O at 65 °C. The resolved products, obtained in good yields (≥42 %), could be easily separated.
Formation Process and Thermodynamic Poperties of Calcite
Authors: Nan Zhao‐Dong , Shi Zuo‐Yi , Qin Mei , Hou Wan‐Guo , Tan Zhi‐Cheng 
Published: May 2007

AbstractThe fast mixing of aqueous solutions of calcium chloride and sodium carbonate resulted in crystalline forms of vaterite and calcite under vigorous stirring. Then, the vaterite was transformed to pure calcite within about 180 min. The crystalline forms all grew with experimental time increase. Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT‐IR), and X‐ray diffraction spectroscopy (XRD) techniques were employed to characterize the as‐prepared samples. The heat capacity of the stable as‐synthesized calcite was determined by means of an adiabatic calorimeter from 80 to 390 K. The thermodynamic functions of the calcite were derived based on the relationships among the thermodynamic functions and the function of the measured heat capacity with respect to temperature.
A Novel Synthesis of Alkaline Earth Silicate Phosphor Sr3MgSi2O8:Eu2+,Dy3+
Authors: Pan Wen , Ning Gui‐Ling , Wang Jing‐Hui , Lin Yuan 
Published: May 2007

AbstractA novel method for synthesizing long afterglow silicate phosphor Sr3MgSi2O8:Eu2+,Dy3+using TEOS and inorganic powders as reactants was reported. Acetic acid as a catalyzer controlled the hydrolysis of TEOS by adjusting pH value of the system. The morphologies of precursor were characterized by transmission electron microscope (TEM). The structure and optical properties of the phosphor powders were systematically investigated by means of X‐ray diffraction and spectrofluorometry. TEM images have reflected the core‐shell structure and quasi‐spherical morphology of the precursor particles. It was found that the single‐phase Sr3MgSi2O8 crystalline structures were obtained at 1050 and 1250 °C for the samples prepared with the nano‐coating method and the solid state reaction, respectively. The emission intensities of the phosphors prepared by the present method were higher than those by the conventional process. Also, the afterglow characteristic was better than that prepared by solid‐state reaction in the comparable condition.
Spectral Studies on the Interaction between Mercuric Ion and ApoCopC
Authors: Zheng Xiao‐Yan , Pang Er‐Guo , Li Hui‐Qing , Zhao Ya‐Qin , Yang Bin‐Sheng 
Published: May 2007

AbstractThe interaction between mercuric ion and apoCopC in the absence or presence of cupric ion was investigated through difference UV spectra in Hepes buffer (10 mmol·L−1) at pH 7.4. The results suggest that mercuric ion can bind to C‐ and N‐terminal binding sites of apoCopC, and the conditional binding constants were calculated to bekN=(6.79±1.12)×106 mol−1·L and kC=(3.06±0.05)×105 mol−1·L. Using urea as a chemical agent, the conformational stabilities of apoCopC and Hg2+N‐CopC‐Hg2+C were monitored by fluorescence spectrum in Hepes buffer (50 mmol·L−1) at pH 7.4. The free energy of stabilization is (14.69±0.85) and (16.66±0.55) kJ·mol−1, respectively. Hg2+N‐CopC‐Hg2+C is more stable than apoCopC.
Synthesis and Characterization of Ordered Mesoporous Aluminosilicate Molecular Sieves with High Stability in High‐Temperature Steam
Authors: Luo Yong‐Ming , Hou Zhao‐Yin , Jin Ding‐Feng , Zheng Xiao‐Ming 
Published: May 2007

AbstractThe ordered mesoporous aluminosilicate molecular sieve (MASMS‐1) stable in the high‐temperature steam has been successfully synthesized from the assembly of diluted ZSM‐5‐type precursor with mesoporous MCM‐41. The material was characterized by XRD, N2 adsorption‐desorption, FE‐SEM, TEM, FT‐IR spectroscopy and 27Al MAS NMR techniques. This mesoporous material shows high stability in the high‐temperature steam [H2O (ψ=20%) in N2 at 800 °C for 4 h], which might be ascribed to the synergistic effect of both thick walls containing zeolite‐like five‐membered ring subunits and highly condensed surface silanol groups.
Fatty Acid Composition of Tobacco Seed Oil and Synthesis of Alkyd Resin
Authors: Mukhtar Azam , Ullah Habib , Mukhtar Hamid 
Published: May 2007

AbstractThe fatty acid composition of tobacco seed oil revealed that the oil is rich in unsaturated fatty acids, having linoleic acid (71.63%), oleic acid (13.46%) and palmitic acid (8.72%) as the most abundant unsaturated and saturated fatty acids respectively. So the tobacco oil was characterized as semi‐drying type on the basis of fatty acid composition. The synthesis of alkyd resin was carried out by alcoholysis or monoglyceride process using an alkali refined tobacco seed oil, pentaerythritol, cis‐1,2,3,6‐tetrahydrophthalic anhydride along with lithium hydroxide as catalyst. The alkyd resin so prepared was found to be bright and of low color with high gloss. The drying and hardness properties and adhesion of the tobacco seed oil derived alkyd resin were also found a bit superior to those of other alkyd resins of the same oil length. In addition, the water and acid resistance of the said alkyd was also found comparable to the other alkyds.
Pretransplant positive positron emission tomography/gallium scans predict poor outcome in patients with recurrent/refractory Hodgkin lymphoma
Authors: Jabbour Elias , Hosing Chitra , Ayers Gregory , Nunez Rodolfo , Anderlini Paolo , Pro Barbara , Khouri Issa , Younes Anas , Hagemeister Fredrick , Kwak Larry , Fayad Luis 
Published: May 2007

AbstractBACKGROUNDThe objective was to determine the prognostic value of functional imaging (FI) in predicting outcome of patients with recurrent/refractory Hodgkin lymphoma (HL) before undergoing high‐dose chemotherapy with autologous stem cell transplantation (ASCT).METHODSClinical and imaging data were retrospectively reviewed in 211 consecutive patients treated with ASCT from February 1993 to May 2004. The FI results were correlated with progression‐free survival (PFS) and overall survival (OS) using Kaplan‐Meier survival analysis.RESULTSResponses were assessed by conventional criteria and evaluated by positron emission tomography (PET) (n = 68) and gallium scans (n = 144) before ASCT. A complete response (CR) or unconfirmed CR (CRu) was seen in 51% of patients, a partial response (PR) in 41% of patients, and stable or progressive disease in 7% of patients. FI was positive in only 6 of 110 (5%) of CR/CRu patients, in 48 of 86 (56%) of PR patients, and in all 3 patients with progressive disease. The 3‐year PFS was 69% for patients with negative FI versus 23% for patients with positive FI (P < .0001). The 3‐year OS rates were 87% and 58%, respectively (P < .0001). The 3‐year PFS for patients in PR with negative FI was 51% comparable to patients in CR (76%) versus 27% for patients in PR with positive FI (P < .0001). In a multivariate model, positive FI was found to be independently prognostic of PFS.CONCLUSIONSPretransplant FI status predicts outcome in patients with recurrent/refractory HL. Positive FI confers a poor prognosis, independent of other traditional presalvage prognostic factors. Cancer 2007. © 2007 American Cancer Society.
1,4‐Dimethylenespiropentane: A Unique Model System for Studying Fermi Resonance in Raman Optical Activity
Authors: Hug Werner , Haesler Jacques , Kozhushkov Sergei I. , de Meijere Armin 
Published: May 2007

AbstractThe C2‐symmetric title compound, a small, rigid hydrocarbon molecule with two distinct, strongly interacting vibrational chromophores, represents a unique model system for testing computational approaches to Raman optical activity (ROA) beyond the isolated molecule and the harmonic approximation. We show that the experimental Raman and ROA spectra are marked by the presence of strong Fermi resonances, and that the shape and relative size of the bands which we attribute to such resonances strongly depend on the solvent environment of the molecule. On the other hand, the dominant computed ROA couplet, arising from the CC stretching vibrations, is absent in the spectra measured in the condensed phase. The strong dependence of the computed size of the couplet on the description of the diffuse part of the electron distribution suggests that this absence is due to nonspecific interactions in the condensed phase.
Rapid Intersystem Crossing in Closely‐Spaced but Orthogonal Molecular Dyads
Authors: Harriman Anthony , Mallon Laura J. , Ulrich Gilles , Ziessel Raymond 
Published: May 2007

AbstractA borondipyrromethene (bodipy) dye is equipped with a 4‐pyridine residue attached via the meso position. The strong fluorescence inherent to this class of dye is extinguished on protonation of the pyridine N atom. For the corresponding N‐methylpyridinium derivative, fluorescence from the dye fragment is also extensively quenched due to the onset of a light‐induced charge‐shift reaction. The resultant charge‐transfer state (CTS) is weakly fluorescent and decays primarily by way of population of the triplet excited state localized on the bodipy dye. Time‐resolved spectral studies provide rate constants for all the steps involved in the forward and reverse charge‐shift reactions. An interesting feature is that the lifetime of the CTS, around 1 ns, correlates with the viscosity of the solvent as might be expected if the rate‐limiting step involves a substantial change in geometry. There is an unexpectedly small activation energy for the reverse charge‐shift reaction, even allowing for the fact that this involves triplet formation. Local fluorescence is restored on cooling to 77 K.
MOCVD of BiFeO3 Thin Films on SrTiO3
Authors: Thery J. , Dubourdieu C. , Baron T. , Ternon C. , Roussel H. , Pierre F. 
Published: May 2007

AbstractBi‐Fe‐O thin films are grown by liquid‐injection metal‐organic (MO)CVD on (001) SrTiO3 substrates using two different bismuth precursors, Bi(tmhd)3 and Bi(mmp)3. The precursor Bi(mmp)3 is found to be more effective for Bi incorporation in the films. Epitaxial BiFeO3 films are obtained and no evidence for secondary phases such as Fe2O3 or Bi2O3 is found by X‐ray diffraction (XRD) or transmission electron microscopy (TEM) studies. However, the presence of a multiple binding environment for Fe3+ is shown from the X‐ray photoelectron spectroscopy (XPS) analyses. Moreover, XPS shows evidence of a Fe2+/Fe3+ valence mixed state. A saturation magnetization of 70 emu cm–3 is measured. This value is much higher than that reported for the bulk BiFeO3 material. Both the double valence for Fe ions and the enhanced magnetization may originate in the presence of non‐fully‐oxidized γ‐Fe2O3.
CVD of Metals Using Alcohols and Metal Acetylacetonates, Part I: Optimization of Process Parameters and Electrical Characterization of Synthesized Films
Authors: Premkumar P.A. , Bahlawane N. , Kohse‐Höinghaus K. 
Published: May 2007

AbstractA new successful strategy is developed for the production of Ni, Cu, and Co films using commercially available metal acetylacetonates as precursors. Pulsed spray evaporation (PSE) CVD is applied utilizing only alcohols as solvents and reducing agents. The efficiency of the process, with respect to controlling parameters such as pulse width, pulsing frequency, carrier gas flow rate, and concentration of the precursors in the feedstock, is optimized. The growth of metal films as a function of substrate temperature, deposition pressure, and duration of deposition, is examined. Results demonstrate that the metal films grow on various substrates, including glass and SiC, without any incubation time and do not need a seed layer. Resulting resistivities are close to those of the bulk materials for Ni and Cu films, while a value of 150 μΩ cm, which improves upon annealing, is measured for Co films.
Automated screening versus manual screening: A comparison of the ThinPrep® imaging system and manual screening in a time study
Authors: Schledermann Doris , Hyldebrandt Tina , Ejersbo Dorthe , Hoelund Berit 
Published: May 2007

AbstractThe ThinPrep Imaging System (TIS) is an automated system that assists cytotechnologists in the primary screening of ThinPrep liquid based cervical samples. Between June 1, 2004, and April 1, 2005, four experienced cytotechnologists participated in the study in which the duration of the screening procedure was timed for each of the 11,354 slides included. In every slide 22 fields of view were reviewed, and the samples that contained potentially abnormal cells were fully screened. The screening time was reduced by 42% (mean) (p < 0.001). By manual rescreening of the negative TIS samples, abnormal cells were found in 10 samples (false negative rate 0.14%). In every case the abnormal cells had been identified by the scanner, but misinterpreted by the cytotechnologist. These findings stressed the importance of carefulness in the interpretation of the marked fields and beyond that helped the cytotechnologists and pathologists to have more confidence in the automated system. Diagn. Cytopathol. 2007;35:348–352. © 2007 Wiley‐Liss, Inc.
Primary Ewing sarcoma/PNET of the kidney: Fine‐needle aspiration, histology, and dual color break apart FISH Assay
Authors: Kang Steven H. , Perle Mary Ann , Nonaka Daisuke , Zhu Hongfa , Chan Wai , Yang Grace C. H. 
Published: May 2007

AbstractA 34‐year‐old previously healthy Hispanic man presented with lower back pain. CT scan revealed an 8‐cm space‐occupying lesion in the superior pole of the left kidney with numerous small lytic lesions in the skull, vertebrae, ribs, and pelvic bones. CT‐guided fine‐needle aspiration biopsy revealed a high‐grade primitive small round cell tumor with the tumor cells being strongly positive for CD99 and vimentin. The patient subsequently underwent a left nephrectomy. Fluorescence in situ hybridization analysis using a DNA probe for the Ewing Sarcoma breakpoint region 1 (EWSR1) on chromosome 22g12 revealed a rearrangement of the EWSR1 locus. The diagnosis of primary Ewing sarcoma/primitive neuroectodermal tumor of the kidney was established. Diagn. Cytopathol. 2007;35:353–357. © 2007 Wiley‐Liss, Inc.
Weight overestimation as an indicator of disordered eating behaviors among young women in the United States
Authors: Conley Amanda , Boardman Jason D. 
Published: May 2007

AbstractObjective:This paper examines the association between weight overestimation and symptoms of disordered eating behaviors using a nationally representative sample of young women.Method:We use data from Wave III of the National Longitudinal Study of Adolescent Health to compare self‐reported weight (in pounds) to measure weight obtained by interviewers using a scale. Focusing on normal weight women between the ages of 18 and 24 (n = 2,805) we compare the discrepancy in self‐reported and measured weight among women with and without any disordered eating behaviors.Results:Women who over report their weight by at least five percent are significantly more likely than those who either under report or accurately report their weights to exhibit disordered eating behaviors. These results persist despite controlling for distorted body image.Conclusion:Our findings support both motivational and perceptual bias explanations for overestimating weight among those who exhibit disordered eating behaviors. We argue that weight over‐estimation, together with other important information regarding women's nutrition, exercise, mental health, and health‐related behaviors, should be treated as a potential indicator for the diagnosis of an eating disorder among young normal weight women. © 2007 by Wiley Periodicals, Inc. Int J Eat Disord 2007
B‐1a cells are imprinted by the microenvironment in spleen and peritoneum
Authors: Stoermann Britta , Kretschmer Karsten , Düber Sandra , Weiss Siegfried 
Published: May 2007

AbstractB‐1a cells are found mainly in the peritoneal cavity of mice but are also present in the spleen. Gene expression profiling defined many genes differentially expressed in B‐1a cells from these two sites. To see whether this gene expression pattern was imprinted by the particular microenvironment, peritoneal or spleen cells from recombinant L2 mice mainly consisting of B‐1a cells were adoptively transferred into Rag1–/– mice. Re‐isolated peritoneal and splenic B‐1a cells were analyzed for expression of three indicator genes – vcam‐1, adamdec1 and spi‐c. The expression of these genes was up‐regulated in splenic and down‐regulated in peritoneal cells. This particular pattern was observed for peritoneal or splenic donor cells transferred either intraperitoneally or intravenously. Similar results were obtained when levels of surface IgM or frequencies of Mac‐1+ B‐1 cells were compared after transfer. This suggests that the environment induces the particular genetic program of B‐1a cells and argues against an independent ontogeny.
High‐Yield Synthesis of a New Layered High‐Nuclearity Carbonyl Osmium‐Rhodium Cluster Complex – Synthesis, Structural Characterization, and Electrochemistry of [PPN][Os9Rh3(μ‐CO)2(CO)26]
Authors: Po‐Kwan Lau Jasmine , Gu Yan‐Juan , Wong Wing‐Tak 
Published: May 2007

AbstractA direct and high‐yield synthetic route for a novel dodecanuclear osmium‐rhodium mixed‐metal cluster is presented. The redox properties of the cluster were examined, and it was found that the anion behaves as an “electron reservoir”. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Identification of novel alternatively spliced BRCA1‐associated RING domain (BARD1) messenger RNAs in human peripheral blood lymphocytes and in sporadic breast cancer tissues
Authors: Lombardi Grazia , Falaschi Elisabetta , Cristofano Claudio Di , Naccarato Antonio Giuseppe , Sensi Elisa , Aretini Paolo , Roncella Manuela , Bevilacqua Generoso , Caligo Maria Adelaide 
Published: May 2007

AbstractBARD1 (BRCA1‐associated RING domain) is the dominant binding partner of BRCA1 in vivo. The BARD1 gene has been reported to be mutated in a subset of breast and ovarian cancer patients and BARD1 germ‐line mutations have been identified in breast cancer patients negative for BRCA1 or BRCA2 gene alterations. In the present study, we show by RT‐PCR and direct sequencing analysis the occurrence of seven novel and one previously identified BARD1 splicing variants in human lymphocytes and breast cancers. Two of the eight variants (BARD1δ and BARD1 ΔRIN) preserve a correct open reading frame and could encode BARD1 internally deleted proteins, while the remaining six variants display premature stop codons. Characterization of the relative expression of BARD1 FL, BARD1δ, and BARD1 ΔRIN using quantitative PCR analysis indicated that the mean expression levels of BARD1 FL, BARD1δ, and BARD1 ΔRIN were significantly higher in tumors than in morphologically normal tissues and lymphocytes. However, we were unable to identify either qualitatively or quantitatively tumor‐specific expression patterns of the identified BARD1 splicing variants. © 2007 Wiley‐Liss, Inc.
Levels of error processing in Huntington's disease: A combined study using event‐related potentials and voxel‐based morphometry
Authors: Beste Christian , Saft Carsten , Konrad Carsten , Andrich Jürgen , Habbel Anne , Schepers Inga , Jansen Andreas , Pfleiderer Bettina , Falkenstein Michael 
Published: May 2007

AbstractHuntington's Disease (HD) is a neurogenetic disorder accompanied by an atrophy of the striatum and hence of the dopaminergic (DA) system. Neural processes subserving error processing presumably depend on the DA system. We assessed error processing in manifest HD and in presymptomatic HD‐gene‐mutation‐carriers (pHD) with event‐related potentials reflecting error processing (the error negativity or error‐related negativity and the error positivity derived from a flanker‐task. We found a reduction of the Ne in the case of HD compared to pHD reflecting dopamine system pathology. Despite the Ne being reduced in HD, behavioral adaptation was possible. In addition, the error‐rates did not differ between the groups. Optimized voxel‐based morphometry revealed that grey matter volume in the medial frontal gyrus is correlated with the Ne amplitude in symptomatic patients. In addition, the effect of a Ne‐reduction was related to the grey matter underneath the medial frontal gyrus, which is in line with two theories of the Ne. In contrast, the Pe did not differ between the groups, suggesting that the Pe is decoupled from the DA system. Interestingly we found a reduction of a late slow negativity on correct responses, which possibly reflects decreased preparatory processes in HD compared to pHD as induced by the DA alterations in HD. In conclusion a deterioration in error processing in HD compared to pHD is mainly reflected by the Ne. The deterioration might rely on two factors: a neurofunctional and a neuroanatomical. Hum Brain Mapp 2008. © 2007 Wiley‐Liss, Inc.