bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantum fidelity for analyzing atoms and fragments in molecule: Application to similarity, chirality, and aromaticity
Authors: Luzanov Anatoliy V. 
Published: February 2010

AbstractQuantum information theory is applied to formulate a new technique for dealing with molecular similarity problems. In this technique, the so‐called quantum fidelity appears to be a counterpart of the conventional similarity measure due to Carbo (Carbo, R.; Leyda, L.; Arnau, M. Int J Quantum Chem 1980, 17, 1185). We define many‐body spin‐free density matrices for atoms and fragments in molecule, and compute corresponding fidelity measures for molecular subsystems. It allows us to treat the problem from the beginning within a many‐electron setting. The approach is employed for analyzing similarity between free atoms and atoms in molecule. A new chirality index, as based on the fidelity between molecule and its mirror image, is suggested to be an approximately additive nonnegative quantity. We also examine a local aromaticity by computing the fidelity measures for benzenoid fragments in polyaromatic hydrocarbons. A detailed study of the proposed indices is reported at the ab initio or semiempirical levels. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Amino acid δ13C analysis of hair proteins and bone collagen using liquid chromatography/isotope ratio mass spectrometry: paleodietary implications from intra‐individual comparisons
Authors: Raghavan Maanasa , McCullagh James S. O. , Lynnerup Niels , Hedges Robert E. M. 
Published: February 2010

AbstractWe report a novel method for the chromatographic separation and measurement of stable carbon isotope ratios (δ13C) of individual amino acids in hair proteins and bone collagen using the LC‐IsoLink system, which interfaces liquid chromatography (LC) with isotope ratio mass spectrometry (IRMS). This paper provides baseline separation of 15 and 13 of the 18 amino acids in bone collagen and hair proteins, respectively. We also describe an approach to analysing small hair samples for compound‐specific analysis of segmental hair sections.The LC/IRMS method is applied in a historical context by the δ13C analysis of hair proteins and bone collagen recovered from six individuals from Uummannaq in Greenland. The analysis of hair and bone amino acids from the same individual, compared for the first time in this study, is of importance in palaeodietary reconstruction. If hair proteins can be used as a proxy for bone collagen at the amino acid level, this validates compound‐specific isotope studies using hair as a model for palaeodietary reconstruction. Our results suggest that a small offset observed in the bulk δ13C values of the hair and bone samples may be attributed to two factors: (i) amino acid compositional differences between hair and bone proteins, and (ii) differential turnover rates of the tissues and the amino acid pools contributing to their synthesis. This application proposes that hair may be a useful complementary or alternative source of compound‐specific paleodietary information. Copyright © 2010 John Wiley & Sons, Ltd.
Effect of surface hydroxyl concentration on the bonding and morphology of aminopropylsilane thin films on austenitic stainless steel
Authors: Jussila P. , Ali‐Löytty H. , Lahtonen K. , Hirsimäki M. , Valden M. 
Published: February 2010

AbstractThe adsorption of 3‐aminopropyltrimethoxysilane thin films on Fe18Cr7Mn3Ni (austenitic stainless steel) was investigated by X‐ray photoelectron spectroscopy (XPS) and inelastic electron background analysis. The bonding and morphology of the films were strongly dependent on the surface hydroxyl concentration, which was controlled by the oxidation pretreatment of the substrate. In particular, an aminopropylsilane (APS) monolayer with high degree of bonding to the substrate was obtained on an electrochemically passivated surface with very high hydroxyl concentration. On the other hand, the deposition of weakly bound APS clusters was observed on substrates having relatively low hydroxyl concentrations. The adsorption occurred initially via hydrogen bonding, whereas heating to 373 K resulted in the formation of covalent SiOM bonds at the silane/metal oxide interface. The results of this study provide insight into the interaction between silanes and stainless steels surfaces, and can be applied for functionalization of stainless steel materials in an extensive range of applications. Copyright © 2010 John Wiley & Sons, Ltd.
A new stopping rule for surveys
Authors: Wagner James , Raghunathan Trivellore E. 
Published: February 2010

AbstractNon‐response is a problem for most surveys. In the sample design, non‐response is often dealt with by setting a target response rate and inflating the sample size so that the desired number of interviews is reached. The decision to stop data collection is based largely on meeting the target response rate. A recent article by Rao, Glickman, and Glynn (RGG) suggests rules for stopping that are based on the survey data collected for the current set of respondents. Two of their rules compare estimates from fully imputed data where the imputations are based on a subset of early responders to fully imputed data where the imputations are based on the combined set of early and late responders. If these two estimates are different, then late responders are changing the estimate of interest. The present article develops a new rule for when to stop collecting data in a sample survey. The rule attempts to use complete interview data as well as covariates available on non‐responders to determine when the probability that collecting additional data will change the survey estimate is sufficiently low to justify stopping data collection. The rule is compared with that of RGG using simulations and then is implemented using data from a real survey. Copyright © 2010 John Wiley & Sons, Ltd.
m‐JGRIM: a novel middleware for Gridifying Java applications into mobile Grid services
Authors: Mateos Cristian , Zunino Alejandro , Campo Marcelo 
Published: February 2010

AbstractThe benefits of Grids for building massively distributed applications have been broadly acknowledged. However, the high complexity of developing Grid applications compromises the widespread adoption of the paradigm. In a previous paper (Future Gener. Comput. Syst. 2008; 24(2):99–118), we have described JGRIM, a method for easily ‘gridifying’ Java applications, based on non‐invasively injecting Grid functionality into ordinary code through Dependency Injection (DI). DI is similar to the Inversion of Control notion of object‐oriented frameworks and allows external services providing certain functionality to be injected into application components that require these services without affecting the components' implementation. In this paper, we briefly revisit JGRIM and present m‐JGRIM, a novel Java middleware that materializes JGRIM concepts by transforming ordinary applications into entities called Mobile Grid Services, i.e. gridified applications with mobile capabilities that live within a Grid. We also provide an evaluation of the performance of m‐JGRIM. Grid practitioners should find this paper useful in having an assessment of the practical benefits and costs of gridifying applications with the middleware, and a down‐to‐earth description of JGRIM, whose advantages for Grid‐enabling applications from a software engineering perspective have been already evaluated in (Future Gener. Comput. Syst. 2008; 24(2):99–118). Copyright © 2010 John Wiley & Sons, Ltd.
Maternal cypermethrin exposure during lactation impairs testicular development and spermatogenesis in male mouse offspring
Authors: Wang Hua , Wang Su‐Fang , Ning Huan , Ji Yan‐Li , Zhang Cheng , Zhang Ying , Yu Tao , Ma Xing‐Hao , Zhao Xian‐Feng , Wang Qun , Liu Ping , Meng Xiu‐Hong , Xu De‐Xiang 
Published: February 2010

AbstractWithin the last decade, numerous epidemiological studies have demonstrated that endocrine disruptors are a possible cause for a decline in semen quality. Cypermethrin is a widely used pyrethroid insecticide, but little is known about its potentially adverse effects on male reproduction. In the present study, we investigated the effects of maternal cypermethrin exposure during lactation on testicular development and spermatogenesis in male offspring. Maternal mice were administered with cypermethrin (25 mg/kg) by gavage daily from postnatal day 0 (PND0) to PND21. Results showed that the weight of testes at PND21 was significantly decreased in pups whose mothers were exposed to cypermethrin during lactation. Maternal cypermethrin exposure during lactation markedly decreased the layers of spermatogenic cells, increased the inside diameter of seminiferous tubules, and disturbed the array of spermatogenic cells in testes of pups at PND21. In addition, maternal cypermethrin exposure during lactation markedly reduced mRNA and protein levels of testicular P450scc, a testosterone (T) synthetic enzyme. Correspondingly, the level of serum and testicular T at weaning was significantly decreased in pups whose mothers were exposed to cypermethrin during lactation. Although the expression of testicular T synthetic enzymes and serum and testicular T in adulthood had restored to control level, the decreased testicular weight and histological changes were irreversible. Importantly, the number of spermatozoa was significantly decreased in adult male offspring whose mothers were exposed to cypermethrin during lactation. In conclusion, maternal cypermethrin exposure during lactation permanently impairs testicular development and spermatogenesis in male offspring, whereas cypermethrin‐induced endocrine disruption is reversible. © 2010 Wiley Periodicals, Inc. Environ Toxicol 2011.
Umbilical cord cysts in the second and third trimesters: significance and prenatal approach
Authors: Zangen R. , Boldes R. , Yaffe H. , Schwed P. , Weiner Z. 
Published: February 2010

AbstractObjectivesThis study was carried out to determine the prognosis, and the clinical approach, in fetuses with umbilical cord cysts, during the second and third trimesters of gestation, according to our experience and data in the current literature.MethodsWe identified 10 fetuses with umbilical cord cysts that were diagnosed during the second and third trimesters of pregnancy at three referral centers. All underwent detailed ultrasound evaluation at the time of diagnosis and during follow‐up. Prenatal karyotype testing was offered to all women. A MEDLINE review of the literature published from 1980 to 2009 was carried out to identify previous studies and case reports of fetuses with umbilical cord cysts.ResultsIn our series of 10 cases, significant additional abnormalities were observed in two during a detailed sonogram. In one case, trisomy 18 was diagnosed, leading to pregnancy termination, and in the other case a neonate with heart defects and a normal karyotype was born. These results differ from those reported in the literature, in which the association between second‐ and third‐trimester umbilical cord cysts and fetal anomalies ranged from 38 to 100%.ConclusionsIn our study, as in other publications, an association was found between the presence of second‐ and third‐trimester umbilical cord cysts and fetal anomalies. The strong association between second‐ and third‐trimester umbilical cord cysts and aneuploidy in the literature seems to be biased, mainly because of the tendency to report abnormal cases. When these findings are accompanied by additional sonographic abnormalities, the association with aneuploidy is clear and should be an indication for fetal karyotype testing. Copyright © 2010 ISUOG. Published by John Wiley & Sons, Ltd.
Cervicovaginal fistula presenting during miscarriage
Authors: Grotegut C. A. , Moore N. L , Reddick K. L. , Canzoneri B. J. , Boyd B. K. , Brown H. L. 
Published: February 2010

AbstractCervicovaginal fistula is a recognized complication of induced mid‐trimester termination of pregnancy, but more recently it has also been recognized as representing a complication of prior cervical cerclage. We report the ultrasound findings of prolapse of the amniotic sac through a cervicovaginal fistula in a woman with prior cervical cerclage. A woman with cervical incompetence and prior failed McDonald cerclage presented for prophylactic Shirodkar cerclage. Before the procedure, transvaginal ultrasonography revealed a live intrauterine pregnancy at 14 weeks' gestation. Upon further ultrasound examination, the amniotic sac appeared to protrude through the posterior wall of the cervix into the vaginal vault. Pelvic examination verified prolapse of the amniotic sac through a cervicovaginal fistula. The patient underwent an uncomplicated dilatation and evacuation. Women with a history of cervical cerclage are at risk for the development of cervicovaginal fistula, the detection of which is important to prevent potential morbidity. Copyright © 2010 ISUOG. Published by John Wiley & Sons, Ltd.
Reliability of fetal cardiac volumetry using spatiotemporal image correlation: assessment of in‐vivo and in‐vitro measurements
Authors: Uittenbogaard L. B. , Haak M. C. , Tromp C. H. N. , Terwee C. B. , Van Vugt J. M. G. 
Published: February 2010

AbstractObjectiveTo assess the reliability of measurement of fetal cardiac ventricular volume, stroke volume, and ejection fraction with four‐dimensional ultrasound using spatiotemporal image correlation (STIC).MethodsVolume datasets were collected from two sources: 24 from fetuses over a range of gestational ages and 12 from a miniature balloon model. Datasets were analyzed by three observers, repeatedly in 12 fetal datasets and all balloon datasets. Volume calculations were obtained by manually tracing multiple parallel slices (three‐dimensional (3D) slice method). Measurement error was assessed by calculating standard errors of measurement (SEM) and coefficients of variation (CV). Reliability was assessed by calculating interobserver and intraobserver intraclass correlation coefficients (ICC).ResultsMeasurement errors of balloon volumes were small and reliability was good (SEM ≤ 0.07 mL, ICC 0.98–1.00). Fetal ventricle volume measurement error ranged from 0.09 to 0.20 mL and CV from 14.6 to 28.3%. Ventricular volume reliabilities for intra‐ and interobserver comparisons were greater than or equal to 0.94 and 0.75, respectively. Fetal stroke volume measurement error (SEM 0.17 mL), CV (21.9%) and reliability were measured (intraobserver ICC: left ventricle stroke volume (LVSV), 0.93 vs. right ventricle stroke volume (RVSV), 0.88; interobserver ICC: LVSV, 0.75 vs. RVSV, 0.86). The measurement error decreased with increasing operator experience. The reliability of ejection fraction calculations was poor (ICC < 0.7) for intra‐ and interobserver comparisons.ConclusionsVolume measurements obtained with STIC and 3D slice methods using a balloon model were reliable. In the fetus, measurement errors decreased with increasing operator experience, and reliability was better for stroke volume than for ejection fraction. Copyright © 2010 ISUOG. Published by John Wiley & Sons, Ltd.
Tei index to assess fetal cardiac performance in fetuses at risk for fetal inflammatory response syndrome
Authors: Letti Müller A. L. , Barrios P. De M. , Kliemann L. M. , Valério E. G. , Gasnier R. , Magalhães J. A. De A. 
Published: February 2010

AbstractObjectivesTo examine, in patients with premature rupture of the amniotic membranes (PROM) at < 34 weeks of gestation, the relationship between fetal myocardial performance measured by the Tei index and fetal inflammatory response syndrome (FIRS).MethodsA case–control study was conducted including 15 preterm PROM patients with gestational age between 24 and 33 weeks admitted to Hospital de Clínicas de Porto Alegre, and 15 controls with the same gestational age range. Fetal echocardiography with Doppler was performed at admission for the preterm PROM group, with serial examinations every 7–10 days thereafter until delivery, and at the time of inclusion in the control group. Flow velocity waveforms were obtained for the left ventricle, from which the Tei index was calculated. Placental histopathology and perinatal outcome were compared between the groups.ResultsThe left ventricular Tei index was significantly greater in fetuses with preterm PROM compared with controls (0.63 ± 0.13 vs. 0.51 ± 0.10, P = 0.007). While there was no difference in isovolumetric times, the left ventricular ejection time was significantly shorter in the preterm PROM group (164 ± 17 ms vs. 184 ± 16 ms, P = 0.003). In the preterm PROM group, neonatal sepsis was diagnosed in 73.3%, and funisitis and chorionic vasculitis confirmed FIRS in 53.3%, compared with 6.7% for these three diagnoses in controls (P = 0.001).ConclusionsThese data provide further evidence that cardiac dysfunction is present in the setting of preterm PROM. The study of myocardial performance with the Tei index is a novel non‐invasive approach to assess cardiac function and monitor the fetus affected with FIRS. Copyright © 2010 ISUOG. Published by John Wiley & Sons, Ltd.
Prophylactic Cholecystectomy in Midgut Carcinoid Patients
Authors: Norlén Olov , Hessman Ola , Stålberg Peter , Åkerström Göran , Hellman Per 
Published: February 2010

AbstractBackgroundPatients with midgut carcinoid (MGC) tumors are commonly treated with somatostatin analogs. Adverse effects of these drugs include impairment of gallbladder function, formation of gallstones, and cholecystitis. Prophylactic cholecystectomy has been advocated, but data to support this recommendation are sparse. We have analyzed a cohort of 235 patients with MGC focusing on the risk for gallstone formation and complications thereof.MethodsForty‐eight of the 235 patients had been cholecystectomized before surgery for MGC. Of the remaining 187 patients, 144 were treated with somatostatin analogs. Eighteen of the 187 patients had their gall bladder removed during the primary carcinoid surgery.ResultsTwenty‐two of the 144 somatostatin–analog‐treated patients developed complications, such as gallbladder empyema (n = 1), cholangitis (n = 2), acute cholecystitis (n = 6), acute pancreatitis (n = 1) or acute pancreatitis and cholecystitis (n = 1), or biliary colic (n = 11). Ninety‐two of the 144 were examined during surgery, by computed tomography, or by ultrasound, most for reasons other than gallbladder‐related indications, and 63% (58/92) of these examinations revealed gallstones. Of the 43 patients not treated with somatostatin analogs, only 3 patients suffered from biliary colic and underwent cholecystectomy.ConclusionsIn our study the incidence of gallstone‐related complications seems to be higher than in the general population. We recommend that prophylactic cholecystectomy is liberally performed during laparotomy for MGC if patients are planned to undergo treatment with somatostatin analogs.
Five‐Year Follow‐up of a Randomized Clinical Trial of Unilateral Thyroid Lobectomy with or Without Postoperative Levothyroxine Treatment
Authors: Barczyński Marcin , Konturek Aleksander , Gołkowski Filip , Hubalewska‐Dydejczyk Alicja , Cichoń Stanisław , Nowak Wojciech 
Published: February 2010

AbstractBackgroundThe aim of this study was to compare the prevalence of recurrent nodular goiter in the contralateral thyroid lobe among patients after unilateral thyroid lobectomy for unilateral multinodular goiter (MNG) receiving versus not receiving postoperative prophylactic levothyroxine (LT4) treatment.MethodsFrom January 2000 through December 2003, 150 consenting patients underwent a unilateral thyroid lobectomy for unilateral MNG at our institution. They were randomized to two groups with 75 patients in each group. Patients in group A received prophylactic LT4 treatment postoperatively (dose range 75–125 μg/day to maintain thyroid‐stimulating hormone values below 1.0 mU/L), whereas patients in group B received no postoperative LT4 treatment. All the patients underwent ultrasonographic, cytologic, and biochemical follow‐up for at least 60 months postoperatively. The primary outcome was the prevalence of recurrent goiter in the contralateral thyroid lobe. The secondary outcome was the reoperation rate for recurrent goiter. The outcomes were stratified according to individual iodine metabolism status assessed by urinary iodine excretion.ResultsDuring the 5‐year follow‐up, among patients receiving vs. not receiving LT4, recurrent goiter within the contralateral thyroid lobe was found in 1.4% vs. 16.7% of patients, respectively (p = 0.001). Moreover, 1.4% vs. 8.3%, respectively, of patients receiving vs. not receiving LT4 required contralateral thyroid lobe surgery (p = 0.05). LT4 decreased the recurrence rate among iodine‐deficient patients (3.4% vs. 36%, respectively; p = 0.002) but not among iodine‐sufficient patients (0% vs. 6.4%, respectively; p = 0.09).ConclusionsProphylactic LT4 treatment significantly decreased the recurrence rate of nodular goiter in the contralateral thyroid lobe and the need for completion thyroidectomy, mostly among patients with iodine deficiency.
Inadequate identification of small‐for‐gestational‐age fetuses at an urban teaching hospital
Authors: Mattioli Kathleen Powell , Sanderson Maureen , Chauhan Suneet P. 
Published: February 2010

AbstractObjectiveTo ascertain the likelihood of identifying small for gestational age (SGA) neonates prenatally (below the 10th percentile for gestational age).MethodsOn admission for delivery, the charts of singletons with reliable gestational age (GA) were reviewed to determine whether intrauterine growth restriction (IUGR) was suspected, clinically or sonographically. Multiple logistic regression analysis was used with the accurate identification of SGA as the dependent variable and 13 independent variables.ResultsOver 10 months, 1502 pregnant women met the inclusion criteria and 16% of neonates were born SGA. Before delivery, only 10% (95% confidence interval 6%–14%) of newborns identified as SGA were detected, and 7% weighed below the 5th percentile. Multiple logistic regression analysis identified 4 factors that made a significant independent contribution to the detection of SGA: younger maternal age, size less than date, sonographic examination within 4 weeks of delivery, and a history of substance abuse.ConclusionsBecause we failed to identify 90% of SGA with fundal height measurements, the likelihood of detecting most growth‐restricted fetuses clinically is low. If other investigators confirm these findings, a paradigm shift is warranted to improve the detection of IUGR.