bluuebunny/crossref_metadata_2025_split huggingface dataset:
Na2 Ground and Excited States by the Open‐Shell Coupled‐Cluster Method
Authors: Kaldor Uzi 
Published: November 2013

AbstractThe open‐shell coupled‐cluster method is used to calculate the potential functions of the five lowest states of Na2, at internuclear separation of 3.5 bohr ≤ R ≤ 10 bohr, with an 80—function contracted Gaussian basis. The usual complete model space calculation diverges, and a general, incomplete model space is used. Core (2s, 2p) correlation plays an important role. Very good agreement with experimentally known molecular constants is obtained when the 2s, 2p, and 3s electrons are correlated.
Different Orbitals for Different Spins: A Study of Bond Breaking in (H‐Li‐H)−
Authors: Mcweeny Roy 
Published: November 2013

AbstractCalculations of electronic structure in which electrons of different spin are assigned to different orbitals have always been handicapped by difficulties arising from orbital nonorthogonality. A very simple and general way of meeting such difficulties, within the framework of classical valence bond theory, is outlined and then used in an ab initio study of the dissociation of (H‐Li‐H)−, a system recently studied by more standard methods. Just two VB structures are found to be dominant over the whole range of geometries and to offer a simple and physically transparent interpretation of the bond‐breaking process.
Simple Iterative Procedures for Quantum‐Mechanical Bound States
Authors: Burrows Brian L. , Cohen Maurice , Feldman Tova 
Published: November 2013

AbstractIterative methods are developed to obtain approximate solutions for bound states of quantum‐mechanical systems. A sequence of 2 × 2 secular equations is solved, to yield a specified eigensolution to the N × N secular equation. Our simplest procedure ensures convergence only for certain states, but a generalisation appears to converge for any state. Some sample calculations are presented, both for model (anharmonic oscillator) systems and for a two‐electron atom.
COST‐EFFICIENCY AND OUTREACH OF MICROFINANCE INSTITUTIONS: TRADE‐OFFS AND THE ROLE OF OWNERSHIP
Authors: Abate Gashaw Tadesse , Borzaga Carlo , Getnet Kindie 
Published: November 2013

AbstractThe focus on achieving financial efficiency by microfinance institutions in recent years raises a natural concern on their social outcome, outreach to the poor. Using a stochastic frontier approach on sample microfinance providers in Ethiopia, this paper analysed the effect of an increasingly important efficiency requirement on the traditional social mission of microfinance. It also addressed whether the way ownership is organised and practiced affects the cost of microfinance delivery. The result indicates a trade‐off between the outreach to the poor and cost‐efficiency, suggesting the difficulty in trying to achieve the two goals simultaneously. Financial cooperatives are better in their cost containment compared with specialised microfinance institutions owned by shareholders. Copyright © 2013 John Wiley & Sons, Ltd.
Younger Dryas – early Holocene transition in the south‐eastern Iberian Peninsula: insights from land snail shell middens
Authors: YANES YURENA , GÓMEZ‐PUCHE MAGDALENA , ESQUEMBRE‐BEBIA MARCO A. , FERNÁNDEZ‐LÓPEZ‐DE‐PABLO JAVIER 
Published: November 2013

ABSTRACTThe land snail Sphincterochila candidissima from archeological records in Villena (SE Spain) was studied isotopically to estimate the Younger Dryas (YD)–early Holocene transition in the western Mediterranean. Live‐collected individuals exhibited body (−21.8 ± 1.6‰) and shell (−5.8 ± 1.4‰) δ13C values typical of a C3 plant diet, probably combined with carbonate ingestion. Calculations of a carbon flux balance‐mixing model suggest that living specimens experienced similar metabolic rates, with comparable ratio of input and output fluxes of bicarbonate from the snail hemolymph. All fossil shells showed comparable δ13C values among each other, but values were ∼2‰ higher than living specimens. This may be explained by higher water stress at the YD–Holocene transition or by the Suess effect. Shell δ18O values averaged +1.3 ± 0.8‰ for living individuals, −0.5 ± 0.8‰ for Holocene (8.4–10.2 cal ka BP) specimens and +0.4 ± 0.6‰ for YD (12.0–12.4 cal ka BP) snails. An oxygen flux balance‐mixing model suggests that YD shells precipitated during relative humidity (RH) values of ∼79–82%, after which RH increased gradually reaching maximum values of ∼87–88% at ∼8.4–8.6 cal ka BP and, from there, RH eventually declined to present values of ∼82%. Comparisons with other snail data suggest that the xerophilous Sphincterochila records different environmental signatures fro other contemporaneous taxa.
Does genotyping of risk‐associated single nucleotide polymorphisms improve patient selection for prostate biopsy when combined with a prostate cancer risk calculator?
Authors: Butoescu Valentina , Ambroise Jérôme , Stainier Annabelle , Dekairelle Anne‐France , Gala Jean‐Luc , Tombal Bertrand 
Published: November 2013

AbstractBACKGROUNDGenome‐wide association studies have identified single nucleotide polymorphisms (SNPs) associated with higher risk of prostate cancer (PCa). This study aimed to evaluate whether published SNPs improve the performance of a clinical risk‐calculator in predicting prostate biopsy result.METHODSThree hundred forty‐six patients with a previous prostate biopsy (191 positive, 155 negative) were enrolled. After literature search, nine SNPs were selected for their statistically significant association with increased PCa risk. Allelic odds ratios were computed and a new logistic regression model was built integrating the clinical risk score (i.e., prior biopsy results, PSA level, prostate volume, transrectal ultrasound, and digital rectal examination) and a multilocus genetic risk score (MGRS). Areas under the receiver operating characteristic (ROC) curves (AUC) of the clinical score alone versus the integrated clinic‐genetic model were compared. The added value of the MGRS was assessed using the Integrated Discrimination Improvement (IDI) and Net Reclassification Improvement (NRI) statistics.RESULTSPredictive performance of the integrated clinico‐genetic model (AUC = 0.781) was slightly higher than predictive performance of the clinical score alone (AUC = 0.770). The prediction of PCa was significantly improved with an IDI of 0.015 (P‐value = 0.035) and a continuous NRI of 0.403 (P‐value < 0.001).CONCLUSIONSThe predictive performance of the clinical model was only slightly improved by adding MGRS questioning the real clinical added value with regards to the cost of genetic testing and performance of current inexpensive clinical risk‐calculators. Prostate 74:365–371, 2014. © 2013 Wiley Periodicals, Inc.
Achs- und rotationsgerechte Positionierung des bikondylären Femurschlittens
Authors: Schläfer H. , Schläfer M. 
Published: November 2013

ZusammenfassungHintergrundKlinisches Ergebnis und Haltbarkeit bikondylärer Oberflächenersatzprothesen sind von einer exakten Positionierung der Femurprothese abhängig. Diese sollte senkrecht zur mechanischen Femurachse und parallel zur Transepikondylarachse unter Sicherstellung einer harmonischen Ligamentbalance implantiert werden.MethodeWeder die mechanische Femurachse noch die Transepikondylarachse sind intraoperativ ohne Hilfsmittel eindeutig definierbar. In der dargestellten Methode werden diese Achsen indirekt über die distale bzw. dorsale Femurkondylentangente bestimmt. Beide Tangenten sind sowohl prä- als auch intraoperativ exakt definierbar. Für die mechanische Femurachse wird präoperativ eine Röntgenaufnahme des gesamten Femurs, für die Transepikondylarachse ein Dünnschicht-CT benötigt. Die intraoperative Umsetzung erfordert Steckhülsen für den 4-in-1-Block von 0 bis 13° und einen speziellen Winkelmesser.ErgebnisseDiese Methode wurde bei 783 Patienten angewendet, 38 Patienten wurden nachuntersucht. Die Abweichung der Senkrechten zur mechanischen Femurachse betrug durchschnittlich 0,32°, die Abweichung von der Parallelen zur Transepikondylarachse 1,04°.SchlussfolgerungBei der dargestellten Vorgehensweise handelt es sich um eine sichere und preiswerte Methode, die zudem die Operationszeit deutlich reduziert.
Is Vocal Cord Asymmetry Seen on Transcutaneous Laryngeal Ultrasonography a Significant Predictor of Voice Quality Changes After Thyroidectomy?
Authors: Wong Kai‐Pun , Lang Brian Hung‐Hin , Ng Sze‐How , Cheung Chung‐Yeung , Chan Christina Tin‐Yan , Chan Miu‐Yee 
Published: November 2013

AbstractBackground
Vocal cord asymmetry (VCA) on laryngoscopic examination (LE) may suggest voice impairment after thyroidectomy, but LE may cause patient discomfort. We aimed to correlate the presence of postoperative VCA assessed by noninvasive transcutaneous laryngeal ultrasonography (TLUSG) with voice quality changes after thyroidectomy.
MethodsA total of 169 patients scheduled for thyroidectomy completed two validated voice symptoms questionnaires—the GRBAS (grade, roughness, breathiness, asthenia, strain) scale and the voice impairment score (VIS)—and underwent TLUSG and LE at 1 day before and 7–10 days after thyroidectomy. Postoperative VCA was apparent in 51 patients on TLUSG (group I), whereas there was no VCA in the other 118 patients (group II, controls). The GRBAS scale and VIS results were compared between the groups.ResultsBefore operation, the two groups had comparable preoperative GRBAS and VIS status. After operation, the “grade” and “roughness” components on the GRBAS scale were significantly worse in group I than in group II: 0.24 versus 0.07 (p = 0.016) and 0.33 versus 0.14 (p = 0.022), respectively. “Grade” and “roughness” in the GRBAS scale significantly worsened after the operation in group I: from 0.04 to 0.24 (p = 0.008) and from 0.02 to 0.33 (p = 0.001), respectively. They did not change in group II. Also, the overall VIS was significantly worse after thyroidectomy in group I: 4.97 versus 12.97 (p < 0.001).ConclusionsVCA seen on TLUSG significantly correlated with “grade” and “roughness” components on the GRBAS scale and the overall VIS. Thus, VCA might be used as a surrogate of postoperative voice changes.
The Influence of Silicone Softeners on Fabric Stain Removal and Whiteness Maintenance During Home Laundry
Authors: Pei Liujun , Ge Huayun , Wang Dawei , Zhong Qi , Wang Jiping 
Published: November 2013

AbstractThe influence of silicone softeners applied in textile mills on fabric stain removal and whiteness maintenance during home laundry are investigated using amino and polyether silicones. It is observed that fabrics treated with amino silicones have reduced stain removal performance. On the other hand, fabrics treated with polyether silicones have improved performance over both amino silicones treated and untreated fabrics. In general, amino silicones reduce the fabric whiteness because they influence the intensity of textile brightener and its maximum emission wavelength. With analysis of fabric surface energy, Si content, wash fastness and silicone–stain interaction, the influence of the silicone on the performance of fabric stain removal can be concluded as follows: (1) the higher the surface energy of fabric treated with silicone, the better is the fabric stain removal; (2) cationic charges of amino silicones create a strong interaction between silicones and stains, leading to poor stain removal index; (3) due to silicone–stain interaction, stains may be washed away with silicone on the fabric surface. Therefore, poor silicone wash fastness may lead to better fabric stain removal.
Proterozoic Crustal Scale Shearing in the Bundelkhand Massif with Special Reference to Quartz Reefs
Authors: Bhattacharya A. R. , Singh S. P. 
Published: November 2013

Abstract
Quartz reefs that constitute the most spectacular feature of the Bundelkhand massif of Central India are as yet riddled with controversy. We consider the NE-SW trending quartz reefs and the NE-SW trending brittle-ductile shear system developed outside the quartz reefs to constitute a single tectonic fabric of the massif. The study of structural features of the quartz reefs and the associated NE-SW trending shear zones coupled with the mineralogical and structural features suggests that the quartz reefs represent strike-slip dominated vertical to subvertical shear zones with dominantly sinistral sense of shear. The loci of the quartz reefs constitute the large scale fractures developed as a consequence of extensional processes in this part of Central India. These fractures were the sites for later emplacement of siliceous magmatic melt, commonly known as quartz reef that was also responsible for the mineralization of some base metals as well as pyrophyllite and diaspore. The lithotectonic system of these quartz reefs thus developed was later on subjected to strike-slip movements. A generalized model of large scale extensional tectonics during the Proterozoic times has thus been suggested for the development of the NE-SW tectonic fabric of the Bundelkhand massif.
Petrochemistry of Crater Facies Tokapal Kimberlite Pipe, Bastar Craton, Central India and its Orangeitic Affinities
Authors: Dhote P. S. , Dongre Ashish N. , Subbarao D. V. 
Published: November 2013

Abstract
Tokapal kimberlite is the only well preserved crater facies kimberlite intruded within sedimentary sequence of Indravati basin in Bastar craton of central India. We present detailed petrographical and whole rock geochemical studies, carried out on ten samples collected from different locations from Tokapal kimberlite to constrain its genesis and also the mantle processes involved in the origin of this earlier characterized Group I kimberlite. Geochemical studies show that only SiO2 content and the mobile trace elements Ba, Sr, and K vary in the crater facies while rest others show restricted range and can be successfully used in evaluating the petrogenetic processes. Very low abundances of Rb (&lt;2 ppm), Sr (&lt;28 ppm), Ba (&lt;52 ppm) and Cs (0.02-3 ppm) are observed which show possible effects of late-stage alteration rather than significant crustal contamination. The LREE enriched REE pattern, absence of positive Eu anomalies and HREE depletion also provide further additional evidence against crustal contamination considerably modifying magma composition. We infer the presence of less enriched (metasomatised) mantle source regions and comparatively greater degrees of partial melting responsible for the genesis of Tokapal kimberlite. Present study also suggests that crater facies Tokapal kimberlite intruding the Indravati basin, Bastar craton has a Group II kimberlite (orangeite) affinity. This finding is important in light of recent identification of Mainpur kimberlites of Bastar craton as orangeites.
Imaging of Sand Lens at a Barrage Site in the Indian Himalaya – A Case Study using Cross-hole Seismic Tomography
Authors: Nelliat S. , Jha P. C. , Mohanty P. R. 
Published: November 2013

Abstract
Drilling at the barrage site of a hydropower project usually gives a reasonable picture of the sub-surface rock mass condition. However, when the overburden (OB) comprising river borne materials is very thick and the basement rock is deep, the drilling results become unreliable. In the present case, the depth to the granitic gneiss basement is 45m from the river level and the height of the proposed diversion barrage is only 24.5 m. For this reason, stripping of the overburden up to the basement is not considered feasible. Cross-borehole seismic tomography (CST) was carried out at the barrage site to investigate the inclusions and structure of the OB material in order to facilitate a foundation design suitable for permeable formation. Three sets of CST surveys were carried out up to a depth of 30 m between the three vertical boreholes that were prepared at the vertices of an equilateral triangle with a separation of 17.8 m. The tomograms precisely imaged the nature and disposition of the different constituents of the overburden material. A lens shaped low velocity layer (LVL) with seismic velocity Vp=2000-2500 ms-1 was mapped at a depth of 14.5m from the surface. Hence, it was recommended to shift the barrage axis by 50 m towards the downstream side of the proposed axis. The outcome of this study proved valuable for the designer who finalised the foundation design. Successful application of CST in OB characterisation has reiterated the need of such studies for barrage site investigations particularly in the Himalayan terrain.
Effect of Saline Water Bodies on the Hydrogeochemical Evaluation of Groundwater at Kalpakkam Coastal Site, Tamil Nadu
Authors: Seshadri H. , Kaviyarasan R. , Sasidhar P. , Balasubramaniyan V. 
Published: November 2013

Abstract
Geochemical signatures of groundwater in Kalpakkam plant site were used to identify the geochemistry of the unconfined coastal aquifer. Ground water samples collected from 14 borewells around the study area were studied for four different seasons viz. Summer, South-west monsoon, North-east monsoon and Post-monsoon to identify the major geochemical processes activated in the study area. Data obtained through chemical analyses of groundwater samples were used for graphical plots and geochemical calculations. Piper, Chloro alkaline indices and Chadda’s diagram were determined for geochemical classification of the groundwaters. Identified geochemical processes were verified and quantified using hydrogeochemical aqueous speciation model, PHREEQC to find out the Saturation Indices (SI) of the possible minerals of the study area. It was observed that majority of the bore well samples were under saturated with respect to minerals such as Gypsum, Aragonite and oversaturated with respect to dolomite and calcite. Parameters such as ion exchange and reverse ion exchange, saline water incursion were observed due to the presence of saline water bodies in addition to dissolution of minerals.
Abrasive-free polishing of hard disk substrate with H2O2-C4H10O2-Na2S2O5 slurry
Authors: Zhang Weitao , Lei Hong 
Published: November 2013

Abstract
The effect of tert-butyl hydroperoxide-sodium pyrosulfite ((CH3)3COOH-Na2S2O5) as an initiator system in H2O2-based slurry was investigated for the abrasive-free polishing (AFP) of a hard disk substrate. The polishing results show that the H2O2-C4H10O2-Na2S2O5 slurry exhibits a material removal rate (MRR) that is nearly 5 times higher than that of the H2O2 slurry in the AFP of the hard disk substrate. In addition, the surface polished by the slurry containing the initiator exhibits a lower surface roughness and has fewer nano-asperity peaks than that of the H2O2 slurry. Further, we investigate the polishing mechanism of H2O2-C4H10O2-Na2S2O5 slurry. Electron spin-resonance spectroscopy and auger electron spectrometer analyses show that the oxidizing ability of the H2O2-C4H10O2-Na2S2O5 slurry is much greater than that of the H2O2 slurry. The results of potentiodynamic polarization measurements show that the hard disk substrate in the H2O2-C4H10O2-Na2S2O5 slurry can be rapidly etched, and electrochemical impedance spectroscopy analysis indicates that the oxide film of the hard disk substrate formed in the H2O2-C4H10O2-Na2S2O5 slurry may be loose, and can be removed easily during polishing. The better oxidizing and etching ability of H2O2-C4H10O2-Na2S2O5 slurry leads to a higher MRR in AFP for hard disk substrates.
A secondary analysis of the WHO Global Survey on Maternal and Perinatal Health for antibiotics used in vaginal deliveries
Authors: Liabsuetrakul Tippawan , Lumbiganon Pisake , Mori Rintaro , Gülmezoglu Metin , Souza João Paulo ,   WHO Global Survey on Maternal and Perinatal Health
Published: November 2013

AbstractObjectiveTo assess the rate of antibiotic administration following vaginal delivery and to determine whether maternal characteristics and healthcare system features affected antibiotic use during or immediately after delivery using data from the WHO Global Survey on Maternal and Perinatal Health in Latin America, Africa, and Asia.MethodsThe study included women who delivered vaginally without any obvious infection, diabetes, HIV, cardiorenal or respiratory disease, urinary tract infection, or rupture of membranes. The proportion of women receiving antibiotics within and across regions was determined and associated factors of prophylactic use were analyzed using generalized linear mixed models.ResultsOf the 171 676 women giving birth vaginally, 47.3% received antibiotics, with half of these women receiving antibiotics during and/or immediately after delivery for prophylaxis. Among 131 554 women given prophylactic or no antibiotics, 31.2% received prophylactic antibiotics but the rate varied among regions. Women with an operative vaginal delivery (compared with those who delivered spontaneously) and women with third‐ or fourth‐degree laceration were more likely to receive prophylactic antibiotics.ConclusionAntibiotic use following vaginal delivery varies widely across geographic regions; however, approximately one‐third of women undergoing vaginal delivery without documented indication for antibiotic administration appear to have received antibiotics.
Counter-gradient heat transport in two-dimensional turbulent Rayleigh–Bénard convection
Authors: Huang Yong-Xiang , Zhou Quan 
Published: November 2013

AbstractWe present high-resolution numerical investigations of heat transport by two-dimensional (2D) turbulent Rayleigh–Bénard (RB) convection over the Rayleigh number range$1{0}^{8} \leqslant Ra\leqslant 1{0}^{10} $and the Prandtl number range$0. 7\leqslant Pr\leqslant 10$. We find that there exists strong counter-gradient local heat flux with magnitude much larger than the global Nusselt number$Nu$of the system. Two mechanisms for generating counter-gradient heat transport are identified: one is due to the bulk dynamics and the other is due to the competition between the corner-flow rolls and the large-scale circulation (LSC). While the magnitude of the former is found to increase with increasing Prandtl number, that of the latter maximizes at medium$Pr$. We further reveal that the corner–LSC competition leads to the anomalous$Nu$–$Pr$relation in 2D RB convection, i.e. $Nu(Pr)$minimizes, rather than maximizes as in the three-dimensional cylindrical case, at$Pr\approx 2\sim 3$for moderate$Ra$.
Phenotypic trait changes in laboratory – reared colonies of the maize herbivore,Diabrotica virgifera virgifera
Authors: Li H. , Guillemaud T. , French B. W. , Kuhlmann U. , Toepfer S. 
Published: November 2013

AbstractThe North American and European maize pestDiabrotica virgifera virgiferaLeConte (Coleoptera: Chrysomelidae) was used to assess whether conditions of the natal field, subsequent laboratory rearing, or genetic population origin affect phenotypic traits of fitness, activity, or morphometrics. Standardized laboratory bioassays with large sample sizes revealed that none of the 16 tested traits, except crawling behaviours, appeared consistently stable across all seven tested colonies. Environmental conditions in the natal field of theF0generation affected trait averages of the subsequently rearedF1generation in laboratory inca.47% of cases, and trait variability in 67% of cases. This was apparent for fitness and morphometrics, but less obvious for activity traits. Early generation laboratory rearing affected trait averages inca.56% of cases: morphometrics changed; fecundity and egg survival increased fromF1toF2. Trait variability increased or decreased in 38% of cases. Laboratory rearing for over more than 190 generations affected the trait averages in 60% of cases, reflected by decreases in flight activity and increases in body size, weight, and fecundity to some extent. It had little effect on trait variability, especially so for morphometric variability. The genetic population origin affected average levels of 55% and variability of 63% of phenotypic traits. A comparison amongD. v. virgiferastudies might be difficult if they use different populations or laboratory colonies. It is advised to consider possible effects of original field conditions, laboratory rearing, and population genetics when planning comparative studies targeting fitness, activity, or morphometric questions regardingDiabroticaspecies.