bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mono‐ and Dimethyl‐1,2,4‐Triazolate as Ligands for the Mercuric Ion in the Cationic Three‐dimensional Coordination Polymer of [Hg2(Mmt)(Dmt)2](NO3)(H2O)
Authors: Nockemann Peter , Pantenburg Ingo , Meyer Gerd 
Published: December 2007

AbstractColourless crystals of [Hg2(Mmt)(Dmt)2](NO3)(H2O) were obtained from a reaction of mercuric nitrate with monomethyl‐ and dimethyl‐1,2,4‐triazolate (Mmt− and Dmt−, respectively). In the crystal structure (monoclinic, C2/c (no. 15), a = 2579.4(4), b = 1231.1(2), c = 1634.8(2) pm, β = 128.32(1)°, V = 4073.3(11)·106·pm3, Z = 8, R1 [I0 > 2σ(I0)]: 0.0355), half of the mercuric ions are essentially two‐coordinate (Hg–N: 210‐215 pm), the other half are tetrahedrally surrounded by N‐donor atoms (Hg–N: 221, 225 pm) of the Mmt− and Dmt− anions. These three‐N ligands construct a three‐dimensional framework.
Crystal Structures and Spectral Studies of [Ph3Sn(O2AsMe2)], [Bu2ClSn(O2AsMe2)] and [PhClSn(O2AsMe2)(μ‐OMe)]2
Authors: Shihada Abdel‐Fattah , Weller Frank 
Published: December 2007

Abstract[Ph3Sn(O2AsMe2)] (1) and [PhClSn(O2AsMe2)(μ‐OMe)]2 (3) have been synthesized by treatment of Ph3SnCl and Ph2SnCl2 with Na(O2AsMe2) in methanol, respectively. [Bu2ClSn(O2AsMe2)] (2) has been prepared by the reaction of Bu2SnCl2 with HO2AsMe2 in methanol. X‐ray diffraction studies show 1 to crystallize in the monoclinic space group P21/n with a = 699.8(1), b = 1961.4(2), c = 1433.6(2) pm, β = 95.17(1)°, and Z = 4. 2 also crystallizes monoclinic in the space group P21/m, the cell parameters being a = 480.6(1), b = 1992.7(2), c = 808.8(1) pm, β = 103.726(5)°, and Z = 2. Both compounds form infinite chains with alternating (Me2AsO2)− and (R3Sn)+ or (R2ClSn)+ units. The dimer 3 consists of 8‐membered (OSnOAs)2 rings in which the tin atoms are bridged by methanolate bridges. It crystallizes triclinic in the space group $\rm P{\bar 1}$ with a = 822.8(2), b = 910.4(2), c = 929.2(2) pm, α = 77.04(3)°, β = 82.35(3)°, γ = 68.69(3)°, and Z = 1 for the dimer. The vibrational and mass spectra of 1, 2 and 3 are given and discussed.
Do psychosocial factors predict disability and health at a 3‐year follow‐up for patients with non‐acute musculoskeletal pain? A validation of the Örebro Musculoskeletal Pain Screening Questionnaire
Authors: Westman A. , Linton S.J. , Öhrvik J. , Wahlén P. , Leppert J. 
Published: December 2007

AbstractPurpose: Early identification and intervention with those that run the risk of developing long‐term disability would offer a great opportunity for reducing costs and personal suffering associated with long‐term work absenteeism. The Örebro Musculoskeletal Pain Screening Questionnaire (ÖMPSQ) has been used and validated in several studies for participants with mainly acute pain problems. The aim of this study was to validate the ÖMPSQ for patients with non‐acute pain problems (e.g. 1–6 months sick leave) and compare to other relevant questionnaires.Method: One hundred and fifty‐eight patients with musculoskeletal pain and disability recruited to a multidisciplinary rehabilitation project completed a battery of questionnaires at baseline and at 3‐year follow‐up visits. The main analysis involved the relationship between risk levels in the questionnaire and sick leave and perceived health after 3 years.Results: The ÖMSPQ predicted future sick leave and health and was found to have six factors. The function and pain factors were the best predictors of sick leave after 3 years, while the distress factor was the best predictor of perceived mental health and return to work‐expectancy was borderline significant. Perceived physical health at 3 years was best predicted by the function and pain factors with the fear‐avoidance factor being marginally significant.Conclusion: The results demonstrate that psychosocial factors as measured by ÖMPSQ are related to work disability and perceived health even 3 years after treatment for patients with non‐acute pain problems. The ÖMSPQ was a good predictor of outcome.
Executive deficits in psychotic and bipolar disorders – Implications for our understanding of schizoaffective disorder
Authors: Szoke Andrei , Meary Alexandre , Trandafir Anca , Bellivier Frank , Roy Isabelle , Schurhoff Franck , Leboyer Marion 
Published: December 2007

AbstractObjectiveSchizoaffective disorder could be considered as a form of schizophrenia, a form of bipolar disorder, an independent disorder or a disorder intermediate between bipolar disorder and schizophrenia, within a psychotic continuum. The study of cognitive deficits in subjects with those diagnoses could help differentiate between these possibilities.MethodsWe compared cognitive performances of schizoaffective (SZAff) subjects with those of subjects with schizophrenia (SZ), bipolar disorder with psychotic symptoms (life-time) (BDP), bipolar disorder without life-time occurrence of psychotic symptoms (BD) and normal controls (NC). We used two tests of executive functions – the Wisconsin Card Sorting Test (WCST) and the Trail-making Test (TMT) – that are known to be impaired in those disorders.ResultsThe number of perseverative errors on WCST was highest in SZ subjects and gradually decreased in SZAff, BDP and, finally in BD subjects. By contrast, SZ and SZAff subjects obtained similar scores in the TMT, as did BD and BDP patients.ConclusionsThese results suggest that, for some deficits, there may be a continuum between SZ, SZAff and affective disorders, whereas SZAff patients most closely resemble SZ patients for other deficits. This implies that different conceptual views about schizoaffective disorder should be seen as complementary, rather than mutually exclusive.
Assessing changes in composition of intestinal microbiota in neonatal BALB/c mice through cluster analysis of molecular markers
Authors: Fujiwara Reiko , Watanabe Jun , Sonoyama Kei 
Published: December 2007

The present study introduced a molecular biological approach to demonstrate changes in the composition of intestinal microbiota in neonatal mice. Female BALB/c mice were fed either a control diet or a diet supplemented with fructo-oligosaccharide (FOS) at 50 g/kg diet, and then mated to male mice. A cultivation-independent approach, denaturing gradient gel electrophoresis (DGGE) of the PCR-amplified 16S rRNA gene, was performed to characterise changes in intestinal microbial populations in pups at 0, 7, 14 and 21 d old and their dams. Comparisons of DGGE profiles were performed using the Dice similarity coefficient and the unweighted pair group method with arithmetic mean (UPGMA) cluster analysis based on numbers, positions and intensities of bands. DGGE profiles differed between dams fed control and FOS-supplemented diets. Although profiles in pups on the day of birth showed a high similarity with dams, profiles in 7-d-old pups differed from dams and showed high similarity to littermates. In 14- and 21-d-old pups, profiles again showed high similarity with dams. DGGE profiles in pups were divided into two large clusters of control and FOS-supplemented diet groups in the range of 0- to 21-d-old, suggesting modulation of intestinal microbiota in infants by manipulation of microbiota in dams. The present study shows a useful technique for demonstrating changes in intestinal microbiota and provides a mouse model for modulation of intestinal microbiota in neonatal life.
Concentration of chemokines in peripheral blood in first trimester of diabetic pregnancy
Authors: WENDER‐OZEGOWSKA E. , MICHAŁOWSKA‐WENDER G. , ZAWIEJSKA A. , PIETRYGA M. , BRAZERT J. , WENDER M. 
Published: December 2007

AbstractBackground. Several types of regulators (i.e. chemokines and metalloproteinases) are considered to play a crucial role in pregnancy by local modulation of the immune system at the level of peripheral leukocytes. The aim of this study was to determine whether changes in chemokines (interferon‐gamma‐inducible protein (IP‐10), monocyte chemotactic peptide‐1 (MCP‐1), cytokines regulated upon activation normal T cell expressed and secreted (RANTES) and matrix metalloproteinase‐9 (MMP‐9)) concentrations in diabetic patients could affect the course of pregnancy. Methods. The study group consisted of 65 diabetics in the first trimester of pregnancy. Some 47 pregnancies were successfully continued to delivery, 18 were terminated with spontaneous miscarriages. Twenty healthy women matched for gestational age served as a control group. Results. Glycated haemoglobin (HbA1C), vascular complications and lipoproteins (cholesterol, HDL‐cholesterol, low density lipoprotein (LDL)‐cholesterol and triglicerides) concentrations in maternal blood did not influence the chemokines concentrations. Lower RANTES level and higher MMP‐9 concentrations were found in diabetic women. MCP‐1 and RANTES levels differed significantly between pregnancies with good and poor perinatal outcome. A logistic regression model revealed that not only duration of diabetes, age of patients, HbA1C and insulin requirements, but also MMP‐9, RANTES, MCP‐1 and LDL‐cholesterol levels seem to be involved in first trimester metabolism. Conclusions. Our results suggest the possible role of chemokines in early pregnancy development, especially in well‐controlled diabetic patients, when hyperglycaemia is unlikely to be the main reason for an unfavourable outcome. Our results show that MCP‐1 and RANTES might serve as predictive factors for an unfavourable outcome in diabetic pregnancy, whereas MMP‐9 seems to be a marker of immunological changes related to mild hyperglycaemia. However, the open question of how the modulation of chemokines concentrations might be applied to prevent miscarriage in diabetic patients remains.
Stage I small cell carcinoma of the endometrium: survival and management options
Authors: KORCUM AYLIN FIDAN , AKSU GAMZE , OZDOGAN MUSTAFA , ERDOGAN GULGUN , TASKIN OMUR 
Published: December 2007

AbstractSmall cell carcinoma (SCC) of the endometrium is a rare but aggressive disease with early systemic involvement. Patient survival is short. To date, no effective treatment protocol has been established. Surgery, radiotherapy, and chemotherapy have been used either alone or in combination. The case of a patient with stage IB endometrial SCC is presented with an overview based on all reported cases of SCC of the endometrium and its treatment with particular reference to stage I cases.
Preinduction cervical ripening with prostaglandin E2 at preterm
Authors: MELAMED NIR , YOGEV YARIV , HADAR ERAN , HOD MOSHE , BEN‐HAROUSH AVI 
Published: December 2007

AbstractObjective. To evaluate the efficacy of prostaglandin E2 (PGE2) for cervical ripening at preterm and to identify factors predicting ripening failure. Design. A retrospective study of women admitted for preinduction cervical ripening with PGE2 vaginal tablets at preterm (n = 444). PGE2 vaginal tablets were administered at 6–8 h intervals until cervical ripening was achieved (Bishop score ≥7) or ripening failed (Bishop score <7 after administration of 4 PGE2 tablets). Data were compared with a control group of women admitted for preinduction cervical ripening with PGE2 vaginal tablets at term (n = 1,029). A multivariate logistic regression analysis was performed to detect factors predicting ripening failure. Results. Women at preterm required a significantly higher number of PGE2 tablets compared to women at term (2.0±1.1 versus 1.6±0.9, p<0.001). Overall rates of ripening failure and caesarean section due to failed induction were significantly higher in preterm than term gestations (11.4 versus 1.1% and 9.7 versus 0.4%, p <0.001), and were inversely related to gestational age. Nulliparity, lower gestational age at delivery, lack of cervical dilatation, and higher maternal age were significant predictors of ripening failure at preterm. Conclusion. The use of PGE2 for preinduction cervical ripening at preterm may be associated with an increased risk of ripening failure and caesarean section compared with term gestations. This information may be useful when consulting women regarding the available options when premature delivery is necessary.
Ultrasonographic assessment of tape location following tension‐free vaginal tape and transobturator tape procedure
Authors: LONG CHENG‐YU , HSU CHUN‐SHUO , LO TSIA‐SHU , LIU CHENG‐MIN , CHEN YUNG‐HUNG , TSAI EING‐MEI 
Published: December 2007

AbstractBackground. The purpose of this study was to perform an ultrasonographic comparison of tension‐free vaginal tape (TVT) and the TVT‐obturator (TVT‐O) procedure in women with stress urinary incontinence (SUI). Methods. We retrospectively reviewed 159 women with SUI undergoing either TVT (n = 91) or TVT‐O (n = 68). All subjects underwent perineal ultrasonographies, pelvic examination, urinalyses, 1‐h pad tests, multichannel urodynamic studies and a personal interview using the Bristol Female Lower Urinary Tract Symptoms Questionnaire before and 1 year after surgery. Results. At rest or during Valsalva, the middle of the TVT‐O tape localised more distally than the TVT on ultrasound (p<0.01). A higher rate of urethral kinking during straining was observed in the TVT group compared with the TVT‐O group after surgery (86.9 versus 23.9%, p<0.01). Mean operative time was significantly shorter in the TVT‐O group (16.2 versus 28.6 min, p<0.01). The rate of objective cure was comparable for the TVT and TVT‐O groups (94.5 versus 88.2%, p<0.05). However, subjective cure rate was significantly lower for the TVT‐O than the TVT group (82.4 versus 93.4%, p = 0.042). There was no statistical difference between the 2 groups regarding patient characteristics and complication rates. Conclusions. TVT‐O tape results in a less acute angle and localises to a more distal part of the urethra, resulting in less urethral compression and a lower rate of urethral dynamic kinking.
Group B streptococcal carriage in Sweden: a national study on risk factors for mother and infant colonisation
Authors: HÅKANSSON STELLAN , AXEMO PIA , BREMME KATARINA , BRYNGELSSON ANNA‐LENA , WALLIN MARIE CARLSSON , EKSTRÖM CARL‐MAGNUS , GRANLUND MARGARETA , JACOBSSON BO , KÄLLÉN KARIN , SPETZ EVA , TESSIN INGEMAR ,   SWEDISH WORKING GROUP FOR THE PREVENTION OF PERINATAL GROUP B STREPTOCOCCAL INFECTIONS
Published: December 2007

AbstractBackground. To study group B streptococcus (GBS) colonisation in parturients and infants in relation to obstetric outcome and to define serotypes and antibiotic resistance in GBS isolates acquired. Methods. A population‐based, national cohort of parturients and their infants was investigated. During 1 calendar week in 2005 all women giving birth (n = 1,754) were requested to participate in the study. Results. A total of 1,569 mother/infant pairs with obstetric and bacteriological data were obtained. Maternal carriage rate was 25.4% (95% confidence interval (CI): 23.3–27.6). In GBS‐positive mothers with vaginal delivery and no intrapartum antibiotics, the infant colonisation rate was 68%. Some 30% of infants were colonised after acute caesarean section, and 0% were colonised after an elective procedure. Duration of transport of maternal recto/vaginal swabs of more than 1 day impeded culture sensitivity. Infant mMales were more frequently colonised than females (76.9 versus 59.8%, odds ratio (OR): 2.16; 95% CI: 1.27–3.70), as were infants born after rupture of membranes ≥24 h (p =0.039). Gestational age, birth weight and duration of labor did not significantly influence infant colonisation. Some 30% of parturients with at least one risk factor for neonatal disease received intrapartum antibiotics. The most common GBS serotypes were type III and V. Some 5% of the isolates were resistant to clindamycin and erythromycin, respectively. Conclusions. Maternal GBS prevalence and infant transfer rate were high in Sweden. Males were more frequently colonised than females. The sensitivity of maternal cultures decreased with the duration of sample transport. Clindamycin resistance was scarce. The use of intrapartum antibiotics was limited in parturients with obstetric risk factors for early onset group B streptococcal disease.
A short history ofSHELX
Authors: Sheldrick George M. 
Published: December 2007

An account is given of the development of theSHELXsystem of computer programs fromSHELX-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation inSHELX, a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long.SHELXLis the most widely used program for small-molecule refinement andSHELXSandSHELXDare often employed for structure solution despite the availability of objectively superior programs.SHELXLalso finds a niche for the refinement of macromolecules against high-resolution or twinned data;SHELXPROacts as an interface for macromolecular applications.SHELXC,SHELXDandSHELXEare proving useful for the experimental phasing of macromolecules, especially because they are fast and robust and so are often employed in pipelines forhigh-throughputphasing. This paper could serve as a general literature citation when one or more of the open-sourceSHELXprograms (and the Bruker AXS versionSHELXTL) are employed in the course of a crystal-structure determination.
On wine, chirality and crystallography
Authors: Derewenda Zygmunt S. 
Published: December 2007

As the first centennial of X-ray diffraction is inevitably drawing closer, it is tempting to reflect on the impact that this fascinating discipline has had on natural sciences and how it has changed the world we live in. Also, next year is the 160th anniversary of the fateful April afternoon when Louis Pasteur separated D- from L-tartrate crystals, an event that many science historians recognize as the birth of stereochemistry, and the first step that the barely nascent field of crystallography took on the road to elucidate a fundamental phenomenon of chemistry and biology – chirality. Many great minds – Pasteur, Van 't Hoff, Fischer, Lord Kelvin, the Braggs, Astbury and Bijvoet, to mention just a few – contributed along the way. But one central inanimate character was there at all times – an inconspicuous somewhat obscure organic compound found in wine: tartaric acid. This is the story of its contribution to science.
Characterizing the Mycobacterium tuberculosis Rv2707 protein and determining its sequences which specifically bind to two human cell lines
Authors: Chapeton‐Montes Julie A. , Plaza David F. , Curtidor Hernando , Forero Martha , Vanegas Magnolia , Patarroyo Manuel E. , Patarroyo Manuel A. 
Published: December 2007

AbstractThe Rv2707 gene encoding a putative alanine‐ and leucine‐rich protein was found to be present in all Mycobacterium tuberculosis complex strains (by PCR) and its transcription was shown by RT‐PCR in all but M. bovis and M. microti. Antibodies raised against Rv2707 peptides specifically recognized the native protein by Western blot and were able to locate this protein on the M. tuberculosis membrane by immunoelectron microscopy. A549 and U937 cells lines were used in binding assays involving synthetic peptides covering the whole Rv2707 protein. High A549 cell‐binding peptide 16083 (281QEEWPAPATHAHRLGNWLKAY300) was identified. Peptides 16072 (61LFGPDTLPAIEKSALSTAHSY80) and 16084 (301RIGVGTTTYSSTAQHSAVAA320) presented high specific binding to both A549 and U937 cells. Cross‐linking assays revealed that peptide 16084 specifically bound to a 40‐kDa and a 50‐kDa U937 cell membrane protein. High activity binding peptides (HABPs) 16083 and 16084 were able to inhibit M. tuberculosis invasion of A549 cells. Our results suggest that these sequences could be part of the binding sites used by the bacillus for interacting with target cells, and thus represent good candidates to be tested in a future subunit‐based, multiepitope, antituberculosis vaccine.
LTHREADER: Prediction of extracellular ligand–receptor interactions in cytokines using localized threading
Authors: Pulim Vinay , Bienkowska Jadwiga , Berger Bonnie 
Published: December 2007

AbstractIdentification of extracellular ligand–receptor interactions is important for drug design and the treatment of diseases. Difficulties in detecting these interactions using high‐throughput experimental techniques motivate the development of computational prediction methods. We propose a novel threading algorithm, LTHREADER, which generates accurate local sequence‐structure interface alignments and integrates various statistical scores and experimental binding data to predict interactions within ligand–receptor families. LTHREADER uses a profile of secondary structure and solvent accessibility predictions with residue contact maps to guide and constrain alignments. Using a decision tree classifier and low‐throughput experimental data for training, it combines information inferred from statistical interaction potentials, energy functions, correlated mutations, and conserved residue pairs to predict interactions. We apply our method to cytokines, which play a central role in the development of many diseases including cancer and inflammatory and autoimmune disorders. We tested our approach on two representative families from different structural classes (all‐α and all‐β proteins) of cytokines. In comparison with the state‐of‐the‐art threader RAPTOR, LTHREADER generates on average 20% more accurate alignments of interacting residues. Furthermore, in cross‐validation tests, LTHREADER correctly predicts experimentally confirmed interactions for a common binding mode within the 4‐helical long‐chain cytokine family with 75% sensitivity and 86% specificity with 40% gain in sensitivity compared to RAPTOR. For the TNF‐like family our method achieves 70% sensitivity with 55% specificity with 70% gain in sensitivity. LTHREADER combines information from multiple complex templates when such data are available. When only one solved structure is available, a localized PSI‐BLAST approach also outperforms standard threading methods with 25%–50% improvements in sensitivity.
Identification of transient hub proteins and the possible structural basis for their multiple interactions
Authors: Higurashi Miho , Ishida Takashi , Kinoshita Kengo 
Published: December 2007

AbstractProteins that can interact with multiple partners play central roles in the network of protein–protein interactions. They are called hub proteins, and recently it was suggested that an abundance of intrinsically disordered regions on their surfaces facilitates their binding to multiple partners. However, in those studies, the hub proteins were identified as proteins with multiple partners, regardless of whether the interactions were transient or permanent. As a result, a certain number of hub proteins are subunits of stable multi‐subunit proteins, such as supramolecules. It is well known that stable complexes and transient complexes have different structural features, and thus the statistics based on the current definition of hub proteins will hide the true nature of hub proteins. Therefore, in this paper, we first describe a new approach to identify proteins with multiple partners dynamically, using the Protein Data Bank, and then we performed statistical analyses of the structural features of these proteins. We refer to the proteins as transient hub proteins or sociable proteins, to clarify the difference with hub proteins. As a result, we found that the main difference between sociable and nonsociable proteins is not the abundance of disordered regions, in contrast to the previous studies, but rather the structural flexibility of the entire protein. We also found greater predominance of charged and polar residues in sociable proteins than previously reported.