bluuebunny/crossref_metadata_2025 huggingface dataset:
Calculation of the H2+ rovibrational energies and spectroscopic constants in the 2pπ, 3dσ, 4dσ, 4fπ, 4fσ, 5gσ, and 6iσ electronic states
Authors: Vila Henrique Vieira Rivera , Leal Luciano Almeida , Fonseca A. L. A. , Gargano Ricardo
Published: April 2011

Starting with the Hamilton‐Jacobi equation, Campos et al. have applied Hylleraas' method along with the series obtained by Wind‐Jaffe to several molecular ions, among which the H2+ system, to determine their electronic energies in different states. In this work, we have fitted the potential energy curves for the 2pπ, 3dσ, 4dσ, 4fπ, 4fσ, 5gσ, and 6iσ electronic states of the H2+ ion employing the Rydberg generalized function. From these fittings, the spectroscopic constants and the rovibrational energies have been determined by two distinct methods: Dunham's and the discrete variable representation. The theoretically obtained results are in a satisfactory agreement and are expected to provide a comparison source to future works in the experimental field. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Theoretical study of hydrogen and deuterium bond in glutaric acid crystal dimer
Authors: Noureddine Issaoui , Houcine Ghalla , Brahim Oujia
Published: April 2011

In the spirit of the work of Blaise et al. [J Chem Phys, 2005, 122, 64306], we have extended their quantum theoretical approach by accounting for the intrinsic anharmonicity of the slow frequency mode, which is described by a Morse potential to reproduce the polarized infrared line shapes of glutaric acid dimer and its deuterium derivative at different temperatures. In this approach, the adiabatic approximation is performed for each separate H‐bond bridge of the dimer, and a strong nonadiabatic correction is introduced into the model via the resonant exchange between the fast mode excited states of the two moieties. Working within the strong anharmonic coupling theory, according to which the high‐frequency mode is anharmonically coupled to the H‐bond bridge, this approach incorporated the Davydov coupling between the excited states of the two moieties, the quantum direct and indirect dampings and the intrinsic anharmonicity of the H‐bond bridge. The spectral density was obtained within the linear response theory by Fourier transform of the damped autocorrelation functions. The numerical results show that the theoretical line shapes of the glutaric acid dimer are in fairly good agreement with the experimental ones. Using a minimum number of independent parameters, this theoretical approach fits correctly the experimental line shapes of the glutaric acid dimer. The effects of deuteration and temperature have been successfully reproduced by our calculations. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Evaluation of DFT methods to study reactions of benzene with OH radical
Authors: Scheiner Steve
Published: April 2011

Several density functional theory” (DFT) methods are applied to two different reaction channels involving OH• + C6H6, and the results compared with high‐level ab initio calculations. The OH• adds directly to one C atom in the first channel, first forming an encounter complex with the OH• poised above the aromatic plane. B3LYP, BH&HLYP, and MPW1K compute an accurate estimate of the overall exothermicity, whereas M05‐2X, PBE0, and PBEPBE overestimate this quantity to some degree. With the exceptions of PBEPBE and PBE0, the other methods produce an acceptable barrier to addition. All approaches except BH&HLYP correctly predict an exothermic H• abstraction, although PBEPBE is too exothermic. The BH&HLYP barrier to H• abstraction is too high while the MPW1K, PBE0, and B3LYP values are better, and M05‐2X the best. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Fault tolerant control using virtual actuators and set‐separation detection principles
Authors: Seron María M. , De Doná José A. , Richter Jan
Published: April 2011

In this paper we combine a set‐separation approach to fault detection and identification (FDI), recently proposed by the authors, with the virtual actuator approach to controller reconfiguration of Steffen and Lunze. The FDI approach is based on the separation of sets that characterize the system operation under different actuator fault situations that can occur in the plant. The derivation of these sets takes into account the closed‐loop system reconfigured by means of the virtual actuator under all considered actuator faults. Analytic conditions in terms of closed‐loop system parameters and bounds on external signals can be deduced from the required set separation which, in turn, guarantees closed‐loop stability, setpoint tracking, and optimal performance properties of the scheme under all considered fault situations. Thus, the main contribution of this paper is twofold. First, it provides an integrated strategy for fault tolerant control by adapting two existing techniques for FDI and for controller reconfiguration to work in combined form. Second, and more importantly, it endows the resulting combined scheme with guaranteed closed‐loop stability, setpoint tracking and optimal performance properties under actuator faults and in the presence of disturbances. Copyright © 2011 John Wiley & Sons, Ltd.
COMT Val158met genotype and striatal D2/3 receptor binding in adults with 22q11 deletion syndrome
Authors: Boot Erik , Booij Jan , Zinkstok Janneke R. , Baas Frank , Swillen Ann , Owen Michael J. , Murphy Declan G. , Murphy Kieran C. , Linszen Don H. , Van Amelsvoort Thérèse A.
Published: April 2011

Although catechol‐O‐methyltransferase (COMT) activity evidently affects dopamine function in prefrontal cortex, the contribution is assumed less significant in striatum. We studied whether a functional polymorphism in the COMT gene (Val158Met) influences striatal D2/3R binding ratios (D2/3R BPND) in 15 adults with 22q11 deletion syndrome and hemizygous for this gene, using single photon emission computed tomography and the selective D2/3 radioligand [123I]IBZM. Met hemizygotes had significantly lower mean D2/3R BPND than Val hemizygotes. These preliminary data suggest that low COMT activity may affect dopamine levels in striatum in humans and this may have implications for understanding the contribution of COMT activity to psychiatric disorders. Synapse, 2011. © 2011 Wiley‐Liss, Inc.
Prediction of preterm birth using the cervical consistency index
Authors: Parra‐Saavedra M. , Gómez L. , Barrero A. , Parra G. , Vergara F. , Navarro E.
Published: April 2011

Objectives

To assess the diagnostic power of a new cervical consistency index (CCI) obtained using transvaginal sonography for the prediction of spontaneous preterm birth (PTB) and to establish reference ranges for this new variable.

Methods

Included in this prospective cross‐sectional study were 1115 singleton pregnancies at 5–36 weeks of gestation. Anteroposterior cervical diameter was measured before (AP) and after (AP′) application of pressure on the cervix using the transvaginal probe. The index was calculated using the formula: CCI = ((AP′/AP) × 100). Cervical length was also measured. The outcomes evaluated were spontaneous PTB before 32, 34 and 37 weeks. Logistic regression and analysis of receiver–operating characteristics (ROC) curves were performed to evaluate the diagnostic power of CCI and cervical length (adjusted for gestational age). Intraclass correlation coefficients (ICCs) and Bland–Altman analysis were used to evaluate intra‐ and interobserver variability.

Results

In the 1031 women with follow‐up, the rate of spontaneous PTB before 32 weeks was 0.87%, before 34 weeks was 2.13% and before 37 weeks was 7.76% (n = 80). There were 31 (3.01%) iatrogenic PTBs before 37 weeks. An inverse linear correlation between gestational age and CCI was observed, with regression equation: CCI (in %) = 89.8 − 1.35× (GA in weeks); r2 = 0.66, P < 0.001. Cervical length showed an inverse quadratic, though non‐significant, relationship with gestational age: CL (in mm) = 31.084 − 0.0278× (GA in weeks)2 + 1.0772× (GA in weeks); r2 = 0.076, P < 0.14. The intra‐ and interobserver ICCs for CCI were 0.99 (95% CI, 0.988–0.994) and 0.98 (95% CI, 0.973–0.987), respectively. The area under the ROC curve for CCI in the prediction of spontaneous PTB before 32 weeks was 0.947, for spontaneous PTB before 34 weeks it was 0.943 and for spontaneous PTB before 37 weeks it was 0.907. For a 5% screen‐positive rate, CCI had a sensitivity of 67%, 64% and 45% for prediction of spontaneous PTB before 32, 34 and 37 weeks, respectively, with equivalent values of 11%, 9% and 11% for cervical length.

Conclusions

CCI shows a clear inverse linear relationship with GA. Assessment of CCI is reproducible and is effective in the prediction of spontaneous PTB. This new variable appears to provide better prediction of spontaneous PTB than does cervical length. Copyright © 2011 ISUOG. Published by John Wiley & Sons, Ltd.
GI‐RADS reporting system for ultrasound evaluation of adnexal masses in clinical practice: a prospective multicenter study
Authors: Amor F. , Alcázar J. L. , Vaccaro H. , León M. , Iturra A.
Published: April 2011

Objective

To assess the clinical usefulness of a structured reporting system based on ultrasound findings for management of adnexal masses.

Methods

This was a prospective multicenter study comprising 432 adnexal masses in 372 women (mean age, 44.0 (range, 13–78) years) over a 36‐month period. Ninety‐three (25%) women were postmenopausal and 279 (75%) women were premenopausal. Patients were evaluated with transvaginal ultrasound by one of three examiners expert in gynecological ultrasound. Reporting was provided to referring clinicians according to the Gynecologic Imaging Report and Data System (GI‐RADS) classification. A predetermined management protocol was offered to referral clinicians. It was suggested that patients classified as GI‐RADS 2 be managed with follow‐up scan, patients classified as GI‐RADS 3 undergo laparoscopic surgery and patients classified as GI‐RADS 4 or 5 be referred to a gynecologic oncologist. Definitive histologic diagnosis was available in 370 cases and 62 additional cases were considered as benign because of spontaneous resolution during follow‐up. These outcomes were used as the gold standard for calculating the sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV), positive likelihood ratio (LR+) and negative likelihood ratio (LR−) of GI‐RADS classification for identifying adnexal masses at high risk of malignancy, considering GI‐RADS 4 and 5 as being malignant.

Results

Of the 432 tumors, 112 were malignant and 320 benign. The GI‐RADS classification rate was as follows: GI‐RADS 2, 92 (21%) cases; GI‐RADS 3, 184 (43%) cases; GI‐RADS 4, 40 (9%) cases; GI‐RADS 5, (27%) 116 cases. Sensitivity for this system was 99.1% (95% CI, 95.1–99.8%), specificity was 85.9% (95% CI, 81.7–89.3%), LR+ was 7.05 (95% CI, 5.37–9.45) and LR− was 0.01 (95% CI, 0.001–0.07). PPV and NPV were 71.1% and 99.6%, respectively.

Conclusions

The GI‐RADS reporting system performed well in identifying adnexal masses at high risk of malignancy and seems to be useful for clinical decision‐making. Copyright © 2011 ISUOG. Published by John Wiley & Sons, Ltd.
Cervical length measurement for the prediction of preterm birth in multiple pregnancies: a systematic review and bivariate meta‐analysis
Authors: Lim A. C. , Hegeman M. A. , Huis In ‘T Veld M. A. , Opmeer B. C. , Bruinse H. W. , Mol B. W. J.
Published: April 2011

Objectives

To review the literature on cervical length as a predictor of preterm birth in asymptomatic women with a multiple pregnancy.

Methods

We searched MEDLINE, Embase and reference lists of included articles to identify all studies that reported on the accuracy of cervical length for predicting preterm birth in asymptomatic women with a multiple pregnancy. We scored study characteristics and study quality, and extracted data in order to construct two‐by‐two tables cross‐classifying cervical length and preterm delivery. Meta‐analysis using a bivariate model was performed. Summary receiver–operating characteristics (ROC) curves were generated for various test characteristics and outcome definitions.

Results

We found 21 studies reporting on 2757 women. There was a large variation in gestational age at measurement, cut‐off point for cervical length and definition of preterm birth. The summary ROC curve indicated a good predictive capacity of short cervical length for preterm birth. Summary estimates of sensitivity and specificity for preterm birth before 34 weeks’ gestation were 78% and 66%, respectively, for 35 mm, 41% and 87% for 30 mm, 36% and 94% for 25 mm and 30% and 94% for 20 mm.

Conclusions

In women with a multiple pregnancy, second‐trimester cervical length is a strong predictor of preterm birth. In the absence of effective preventive strategies, there is currently no place in clinical practice for cervical length measurement in this population. However, future studies should evaluate preventive interventions in women with multiple pregnancies and a short cervix, and cervical length should be measured in any trial studying preventive strategies in multiple pregnancies. Copyright © 2011 ISUOG. Published by John Wiley & Sons, Ltd.
Prenatal sonographic assessment and perinatal course of ichthyosis prematurity syndrome
Authors: Blaas H. G. K. , Salvesen K. Å. , Khnykin D. , Jahnsen F. L. , Eik‐Nes S. H.
Published: April 2011

All cases of ichthyosis prematurity syndrome (IPS), registered at the National Center for Fetal Medicine in Trondheim, Norway between 1987 and 2010 were identified and the findings analyzed. Five fetuses with IPS were identified between 1988 and 2000. All five developed polyhydramnios between 28 and 31 weeks. The fetal stomach appeared to be empty in four cases, and was not described in one case. The fetal skin was described as ‘uneven’ at ultrasound examination in two cases. Separation of chorionic and amniotic membranes with a peculiar appearance of echo‐free fluid in the chorionic cavity and echogenic sediment in the amniotic cavity were observed between 28 + 5 and 32 + 3 weeks in all cases. All fetuses were delivered prematurely between 30 and 34 weeks. All neonates had difficulties in breathing, two developed aspiration pneumonia, and one had bilateral pneumothorax after intubation and died at 6 months because of pulmonary and cardiac sequelae. Prenatal sonographic signs of IPS are separation of the membranes, echogenic amniotic fluid and echo‐free chorionic fluid occurring between 28 and 32 weeks' gestation. Delivery occurs at 30–34 weeks and, as there is a high risk of asphyxia, an experienced neonatal intensive care unit team should be present at delivery. Copyright © 2012 ISUOG. Published by John Wiley & Sons, Ltd.
Use of a high‐frequency linear transducer and MTI filtered color flow mapping in the assessment of fetal heart anatomy at the routine 11 to 13 + 6‐week scan: a randomized trial
Authors: Votino C. , Kacem Y. , Dobrescu O. , Dessy H. , Cos T. , Foulon W. , Jani J.
Published: April 2011

Objective

To prospectively assess the contribution of a high‐frequency linear transducer and of moving target indicator (MTI) filtered color flow mapping in the visualization of cardiac fetal anatomy at the routine 11 to 13 + 6‐week scan.

Methods

This was a cross‐sectional prospective study, including 300 singleton fetuses at 11 to 13 + 6 weeks' gestation. Patients were randomized into four groups and a detailed fetal cardiac examination was conducted transabdominally using either a conventional curvilinear transducer, a conventional curvilinear transducer and MTI filtered color flow mapping, a high‐frequency linear transducer or a high‐frequency linear transducer and MTI filtered color flow mapping. Regression analysis was used to investigate the effect on the ability to visualize different cardiac structures of the following parameters: gestational age at ultrasound examination; fetal crown–rump length (CRL); maternal body mass index (BMI); transducer–heart distance; the technique used at ultrasound; and the position of the placenta.

Results

The four‐chamber view was visualized in 89.0% of fetuses and regression analysis showed this rate was correlated with CRL and the use of MTI filtered color flow mapping during ultrasonography, and inversely correlated with BMI and transducer–heart distance. Use of a conventional curvilinear transducer and MTI filtered color flow mapping allowed visualization of the four‐chamber view in 97.3% of fetuses, while this was only possible in 84.0% of fetuses using a high‐frequency linear transducer. The left and right outflow tracts were visualized in 62.3 and 57.7% of fetuses, respectively. Regression analysis showed that the ability to visualize the left or the right outflow tract was correlated with the use of MTI filtered color flow mapping during scanning and was inversely correlated with transducer–heart distance. The use of a conventional curvilinear transducer and MTI filtered color flow mapping allowed visualization of the left and right outflow tracts in 96.0 and 97.3% of fetuses, respectively, while this was only possible in 37.3 and 26.7% of fetuses using a high‐frequency linear transducer.

Conclusions

During the routine 11 to 13 + 6‐week scan, the use of MTI filtered color flow mapping but not of a high‐frequency linear transducer, improves visualization of cardiac anatomy. Copyright © 2012 ISUOG. Published by John Wiley & Sons, Ltd.
A standardized measurement technique may improve the reliability of measurements of endometrial thickness and volume
Authors: Martins W. P. , Raine‐Fenning N. J. , Leite S. P. , Ferriani R. A. , Nastri C. O.
Published: April 2011

Objective

To investigate whether standardization of the multiplanar view (SMV) when evaluating the uterus using three‐dimensional ultrasonography (3D‐US) improves intra‐ and interobserver reliability and agreement with regard to endometrial measurement.

Methods

Two‐dimensional (2D) and 3D‐US was used to measure endometrial thickness by two observers in 30 women undergoing assisted reproduction treatment. Endometrial volume was measured with Virtual Organ Computer‐aided AnaLysis (VOCAL™) in the longitudinal (A) and coronal (C) planes using an unmodified multiplanar view (UMV) and a standardized multiplanar view (SMV). Measurement reliability was evaluated by intraclass correlation coefficient (ICC) and agreement was examined using Bland–Altman plots with limits of agreement (LoA). The ease of outlining the endometrial–myometrial interface was compared between the A‐ and C‐planes using subjective assessment.

Results

Endometrial volume measurements using the SMV and A‐plane were more reliable (intra‐ and interobserver ICCs, 0.979 and 0.975, respectively) than were measurements of endometrial thickness using 2D‐US (intra‐ and interobserver ICCs, 0.742 and 0.702, respectively) or 3D‐US (intra‐ and interobserver ICCs, 0.890 and 0.784, respectively). The LoAs were narrower for SMV than for UMV. Reliability and agreement were not much different between the A‐ and C‐planes. However the observers agreed that delineating the endometrial–myometrial interface using the A‐plane was easier (first and second observer, 50.0 and 46.7%, respectively) or ‘comparable’ (50 and 53.3%, respectively), but never more difficult than using the C‐plane.

Conclusions

Endometrial volume measurements are more reliable than endometrial thickness measurements and are best performed using SMV and the A‐plane. Copyright © 2011 ISUOG. Published by John Wiley & Sons, Ltd.
Gaussian elimination
Authors: Higham Nicholas J.
Published: April 2011

As the standard method for solving systems of linear equations, Gaussian elimination (GE) is one of the most important and ubiquitous numerical algorithms. However, its successful use relies on understanding its numerical stability properties and how to organize its computations for efficient execution on modern computers. We give an overview of GE, ranging from theory to computation. We explain why GE computes an LU factorization and the various benefits of this matrix factorization viewpoint. Pivoting strategies for ensuring numerical stability are described. Special properties of GE for certain classes of structured matrices are summarized. How to implement GE in a way that efficiently exploits the hierarchical memories of modern computers is discussed. We also describe block LU factorization, corresponding to the use of pivot blocks instead of pivot elements, and explain how iterative refinement can be used to improve a solution computed by GE. Other topics are GE for sparse matrices and the role GE plays in the TOP500 ranking of the world's fastest computers. WIREs Comp Stat 2011 3 230–238 DOI: 10.1002/wics.164

This article is categorized under:

Applications of Computational Statistics > Computational Mathematics

Algorithms and Computational Methods > Numerical Finite Arithmetic

Algorithms and Computational Methods > Numerical Methods
Synthesis, Crystal Structure, and Ru/Ir Site Preference in the Complex Boride Series Ti2FeRu5–xIrxB2 and Zr2Fe1–δRu5–x+δIrxB2 (x = 1–4, δ < 0.15)
Authors: Hermus Martin , Fokwa Boniface P. T.
Published: April 2011

Polycrystalline samples and single crystals of the complex boride series Ti2FeRu5–xIrxB2 and Zr2Fe1–δRu5–x+δIrxB2 (x = 1–4, δ < 0.15) were synthesized by arc melting the elements and characterized by powder and single‐crystal X‐ray diffraction as well as energy dispersive spectroscopy. All quinary phases could be synthesized in the titanium series, whereas only the first two ruthenium‐rich phases are stable and both are always present in nearly all synthetic targets of the zirconium series. These compounds crystallize in the tetragonal space group P4/mbm (Z = 2) and they represent the first quinary substitutional variants of the Ti3Co5B2‐type structure containing a mixture of 4d/5d transition metals. Their structures consist of layers of ruthenium and iridium atoms, building trigonal, tetragonal, and pentagonal prisms, in which the other elements are located. The trigonal prisms are filled with boron and the pentagonal prisms accommodate either titanium or zirconium. The tetragonal prisms are filled either with iron (in the Ti series) or with an iron‐rich Fe/Ru mixture (in the Zr series). Ruthenium and iridium share two sites in these structures leading to a strong size‐dependent site preference in both series.
The Non‐Centrosymmetric Crystal Structure of Molybdenum(VI) Oxide Bromide MoO2Br2
Authors: Schustereit Tanja , Schleid Thomas , Hartenbach Ingo
Published: April 2011

Red, transparent single crystals of molybdenum(VI) dioxide dibromide MoO2Br2 emerged as by‐product after thermal analyses of reaction mixtures comprising REBr3 (RE = La or Gd) and MoO3. The structure of this highly water sensitive compound can be described in the non‐centrosymmetric monoclinic space group Cc with the lattice constants a = 1522.33(15) pm, b = 390.61(4) pm, c = 771.09(8) pm, β = 104.394(7)° and four formula units per unit cell. Crystallographically unique Mo6+ cations are surrounded by four oxide and twobromide anions in the shape of distorted octahedra withthe two Br– ligands situated in trans position to each other. These octahedra are interconnected by the four O2– anions via vertices to form ${2}\atop{{\infty}}${MoO${v}\atop{4/2}$Br${t}\atop{2/1}$} layers parallel to the bc plane, whereas the bromide anions remain terminal. These sheets are piled along [100] with the Br– anions pointing towards the center of square voids of adjacent layers.
The Complex Amide K2[Zr(NH2)6]
Authors: Kraus Florian , Baer Sebastian A. , Karttunen Antti J.
Published: April 2011

We present the low‐temperature synthesis of potassium hexaamido zirconate(IV) from the transition metal tetrafluoride and thealkali metal dissolved in liquid ammonia at –40 °C. Potassium hexaamido zirconate(IV) K2[Zr(NH2)6] is the first ternary amide reported for elements of group 4 of the periodic table It crystallizes with a novel structure type in the trigonal space group R$\bar{3}$c with a = 6.5422(2) Å, c = 32.824(2) Å, V = 1216.66(9) Å3, Z = 6 and c/a = 5.017. The structure can be derived from the K2PtCl6 type. The compound contains discrete D3‐symmetric [Zr(NH2)6]2– anions which differ significantly from octahedral shape. Quantum chemical calculations show the distortion to arise from a splitting of degenerate d‐orbitals on the zirconium atom leading to a significant gain in energy.
Metallboranate und Boranatometallate. IX [1]; Äther‐Addukte von Tris(boranato)‐titan(III) und dimere Alkoxy‐bis(boranato)‐titan(III)‐Verbindungen
Authors: Franz K. , Fusstetter H. , Nöth H.
Published: April 2011

Inhaltsübersicht. Die Umsetzung von TiCl4 mit LiBH4 in Äther liefert flüchtiges Ti(BH4)3 · O(C2H5)2, dessen Äther durch stärkere Basen (Tetrahydrofuran (THF), Dimethoxyäthan, o‐Dimethoxybenzol, Pyridin) verdrängt wird. Mit THF entsteht je nach Molverhältnis ein 1:1‐ oder ein 1:2‐Addukt. Pyridin gibt ein 1:2‐Addukt und entfernt außerdem BH3‐Gruppen aus Ti(BH4)3. Ti(BH4)3 · 2 THF erhält man am besten aus Ti(OiC3H7)4 und Diboran in THF. In Äther durchgeführt, bleibt die Reaktion auf der Stufe von Isopropyloxybis(boranato)titan(III) stehen. Nach demselben Verfahren wurden die Äthyloxy‐, butyloxy‐ und tert.‐butyloxy‐Verbindungen erhalten, die sich alle als dimer erwiesen. Versuche zur Darstellung von CH3OTi(BH4)2 werden beschrieben.

Die NMR‐, IR‐ und UV‐Spektren der Verbindungen werden diskutiert.

Metal Tetrahydroborates and Tetrahydroboratometallates. IX. Ether Adducts of Tris‐(tetrahydroborato)titanium(III) and Dimeric Alkoxy‐bis(tetrahydroborato)titanium(III) Compounds

Abstract. The reaction of TiCl4 with LiBH4 in ether solution yields volatile Ti(BH4)3 · O(C2H5)2, the ether of which can be displaced by stronger bases (tetrahydrofurane (THF), dimethoxyethane, o‐dimethoxybenzene, pyridine). Depending on the molar ratio used 1:1‐ and 1:2 adducts of THF were formed. Pyridine yields a 1:2 adduct and removes BH3 groups from Ti(BH4)3.

Ti(BH4)3 · 2 THF is best obtained from Ti(OiC3H7)4 and diborane in THF. This reaction carried out in ether solution, stops at the intermediate isopropyloxy‐bis(tetrahydroborato)titanium(III). The same procedure yields the ethyloxy‐, butyloxy‐ and the tert.‐butyloxy compound, all of them proved to be dimeric. Experiments for preparing CH3OTi(BH4)2 are described also.

The n.m.r., i.r. and u.v. spectra of the compounds are discussed.
Das Verhalten von Mono‐ und Diorganylphosphansulfiden gegenüber Metallcarbonylsystemen. VIII [1]; Die Kristall‐ und Molekülstruktur von Pentacarbonyl(dimethylmercaptophosphan)‐chrom
Authors: Meier W.‐P. , Strähle J. , Lindner E.
Published: April 2011

Inhaltsübersicht. Die S‐verknüpfte Verbindung (OC)3CrSPH(CH3)2 isomerisiert sich oberhalb 25°C zu dem Mercaptophosphan‐Komplex (OC)5CrP(CH3)2SH. Dieser kristallisiert monoklin in der Raumgruppe P21/c mit den Citterkonstanten a = 6,882, b = 13,290, c = 13,224 Å, β = 91,60° und vier Molekeln in der Elementarzelle. In der Kristallstruktur (R = 0,085) sind die Chromatome pseudooktaedrisch koordiniert von fünf CO‐Gruppen und dem Mercaptophosphanliganden (Cr—P = 2,344 Å).

The Behaviour of Mono‐ and Diorganylphosphane Sulphides towards Metal Carbonyl Systems. VIII. Crystal and Molecular Structure of Pentacarbonyl(dimethylmereaptophosphane) chromium

Abstract. The S‐linked compound (OC)5CrSPH(CH3)2 isomerizes to the mercaptophosphane complex (OC)5CrP(CH3)2SH above 25°C. The latter crystallizes monoclinic in the space group P21/c with the lattice constants a = 6.882, b = 13.290, c = 13.224 Å, β = 91.60° and four molecules per unit cell. In the crystal structure (R = 0.085) the chromium atoms are pseudooctahedrally coordinated by five CO groups and the mercaptophosphane ligand (Cr—P) = 2.344 Å).
121Sb‐Mössbauer‐Spektren sechsfach koordinierter Antimon(V)‐Verbindungen
Authors: Pebler J. , Schmidt K. , Nadler H.‐G. , Dehnicke K.
Published: April 2011

Inhaltsübersicht. Die bei 4,2 K erhaltenen 121Sb‐Mössbauer‐Spektren von 7 verbrückten zweikernigen sowie einem einkernigen Antimon(V)‐Komplex werden mitgeteilt und die der Isomerieverschiebung und der Quadrupolaufspaltung zu entnehmenden Informationen mit den Struktur‐ und Bindungsverhältnissen korreliert.

121Sb Mössbauer Spectra of Sixfold Coordinated Antimony(V) Compounds

Abstract. The resonance absorption of the 37.2keV line of 121Sb was investigated in seven organometallic binuclear, bridged Sb complexes together with a mononuclear Sb complex at 4.2 K. The isomeric chemical shift and the quadrupole splittings were measured and informations were obtained on the structure of the compounds and the nature of the chemical bond.
Über Blei(II)‐oxid‐ und ‐hydroxidchloride
Authors: Tavernier B. H. , De Jaeger N. C.
Published: April 2011

Inhaltsübersicht. Bei der Reaktion von tetragonalem Blei(II)‐oxid in wäßriger Suspension mit Calciumchlorid oder mit Ammoniumchlorid lassen sich für molare Verhältnisse Cl–/PbO bis zu 4/1 nur drei kristalline basische Blei(II)‐chloride in der festen Phase mit den Pb/Cl‐Verhältnissen von 3,5, 2,0 bzw. 1,0 nachweisen.

Lead(II) Oxide and Hydroxide Chloride

Abstract. In the reaction between tetragonal lead(II) oxide in aqueous suspension and calcium chloride, or ammonium chloride, and for molar ratios of Cl–/PbO up to 4/1 only three kinds of crystalline basic lead chlorides are detectable in the solid phase with Pb/Cl ratios of 3.5, 2.0 and 1.0, respectively.
Dünnschichtchromatographie der Cyclophosphazene auf Silicagel. III; Zur Trennung der Oligomeren Bromo‐Cyclophosphazene (NPBr2)n (n =3–16)
Authors: Novobilský V.
Published: April 2011

Inhaltsübersicht. Es wurde eine Methode der Trennung von Bromo‐Cyclophosphazengemischen mittels Dünnschichtchromatographie auf Silicagel ausgearbeitet, wobei zur Entwicklung das System Cyclohexan‐Benzol (9:1) und zum Nachweis ein Pyridin‐Anilin (1:2) Gemisch angewendet wird. Durch die beschriebene Methode können in dem Reaktionsgemisch, das bei der Herstellung von Bromo‐Cyclophosphazenen anfällt, bis 15 Stoffe festgestellt werden.

Thin Layer Chromatography of Cyclophosphazenes. III. Separation of Bromo‐Cyclophosphazenes (NPBr2)n (n = 3–16)

Abstract. This paper presents a separation study of bromo‐cyclophosphazenes by means of thin layer chromatography on silica gel using a solvent composed of cyclohexan and benzene (9:1). The spots were located by pyridine‐aniline (1:2) mixture. There were found 15 substances in the mixture of bromo‐cyclophosphazenes with this characteristic colour reaction.
Complex and Rare Fracture Patterns in Perilunate Dislocations
Authors: Apostolides John G. , Lifchez Scott D. , Christy Michael R.
Published: April 2011

Introduction

The wrist represents a complex anatomic region in the upper extremity and a highly functional and intricate structural joint. Perilunate injuries have classically been described as involving a greater or lesser arc as described by Mayfield and imply a specific pattern of force transmission. The greater and lesser arc classifications do not include descriptions of when non-scaphoid carpal fractures occur as part of a perilunate injury.

Methods/Results

We present three cases of complex and rare perilunate fracture dislocation patterns and discuss the surgical management as a treatment model for these complex wrist injuries: the trans-scaphoid, trans-capitate perilunate dislocation, the trans-scapholunate ligament, trans-capitate dislocation, and the trans-scaphoid, transtriquetral perilunate dislocation.

Discussion

Although there is a low incidence of injury to non-scaphoid carpal bones, it is beneficial to understand the approach to the perilunate reduction and scaphoid fixation through a combined volar and dorsal approach, which will also allow for the reduction and fixation of more rare and complex carpal fractures.
Dietary Saury Oil Reduces Hyperglycemia and Hyperlipidemia in Diabetic KKAy Mice and in Diet‐Induced Obese C57BL/6J Mice by Altering Gene Expression
Authors: Yang Zhi‐Hong , Miyahara Hiroko , Takemura Shuhei , Hatanaka Akimasa
Published: April 2011

We investigated the effect of saury oil on the alleviation of metabolic syndrome in mice. Saury oil contains 18% (w/w/) n‐3 polyunsaturated fatty acids (n‐3 PUFA) and 35% (w/w) monounsaturated fatty acids (MUFA). Diabetic KKAy mice were fed a 10% soybean oil diet (control) or a 10% saury oil diet for 4 weeks, and diet‐induced obese C57BL/6J mice were fed a high‐fat diet containing 32% lard (control) or 22% lard plus 10% saury oil for 6 weeks. After the intervention periods, the levels of glucose, insulin and lipids in plasma had decreased significantly for the saury oil diet group, and insulin sensitivity had improved. These favorable changes may be attributed to the increased adiponectin and decreased TNFα and resistin levels in plasma. The saury oil diet also resulted in downregulated expression of the lipogenic genes (SREBP‐1, SCD‐1, FAS, and ACC) as well as upregulation of the fatty acid oxidative gene, CPT‐1, and the energy expenditure‐related genes (PGC1α and PGC1β) in white adipose tissue for the diet‐induced obese C57BL/6J mice. An increase in n‐3 PUFA levels and the concomitant decrease in the n‐6/n‐3 PUFA level ratio in serum, white adipose tissue, and liver with a saury oil diet are likely to be involved in the beneficial changes to the metabolic indicators. MUFA may also play a positive role in remodeling lipid composition. Based on these mice models, our results suggest a potential use for saury oil for improving metabolic abnormalities.
Antinomien des (neuen) Urbanismus. Henri Lefebvre, die HafenCity Hamburg und die Produktion des posturbanen Raumes: eine Forschungsskizze
Authors: Dörfler Thomas
Published: April 2011

The article examines some paradoxes of urban planning by referring to Lefebvre’s concept of space. It shows how one of the most prestigious projects of waterfront development and new urban planning in Europe struggles with the complexity of urbanity. The latter is taken as a spontaneous, non-instrumental experience of urban spaces which is strongly related to Lefebvre’s espace vécu and is hardly to establish within the rationales of modern planning. To show this, the article examines empirical data, pictoral representations and pieces of the masterplan to develop the idea that planned urbanity is an antinomy in the Žižekian sense: it makes urbanity impossible. Some insights are given into this problem which is regarded as a severe restriction of—albeit reflexive and well informed—urban redevelopment projects. In getting aware of these antinomies, further critical thinking on enhancing urban performances is hopefully fostered.
Can metabolic plasticity be a cause for cancer? Warburg–Waddington legacy revisited
Authors: Bhat Paike Jayadeva , Darunte Lalit , Kareenhalli Venkatesh , Dandekar Jaswandi , Kumar Abhay
Published: April 2011

Fermentation of glucose to lactate in the presence of sufficient oxygen, known as aerobic glycolysis or Warburg effect, is a universal phenotype of cancer cells. Understanding its origin and role in cellular immortalization and transformation has attracted considerable attention in the recent past. Intriguingly, while we now know that Warburg effect is essential for tumor growth and development, it is thought to arise because of genetic and/or epigenetic changes. In contrast to the above, we propose that Warburg effect can also arise due to normal biochemical fluctuations, independent of genetic and epigenetic changes. Cells that have acquired Warburg effect proliferate rapidly to give rise to a population of heterogeneous progenitors of cancer cells. Such cells also generate more lactate and alter the fitness landscape. This dynamic fitness landscape facilitates evolution of cancer cells from its progenitors, in a fashion analogous to Darwinian evolution. Thus, sporadic cancer can also occur first by the acquisition of Warburg effect, then followed by mutation and selection. The idea proposed here circumvents the inherent difficulties associated with the current understanding of tumorigenesis, and is also consistent with many experimental and epidemiological observations. We discuss this model in the context of epigenetics as originally enunciated by Waddington.
Using cell phones to collect postpartum hemorrhage outcome data in rural Ghana
Authors: Andreatta Pamela , Debpuur Domatilla , Danquah Abraham , Perosky Joseph
Published: April 2011

Objective

To evaluate the use of cell phones by professional and traditional birth attendants in rural Africa for reporting postpartum hemorrhage (PPH) data.

Methods

Ten birth attendants from the remote Sene District of Ghana participated in the study. Subjects were trained to send Short Message Service text messages from cell phones using a simple numeric protocol to report data regarding PPH: maternal age; PPH; use of bimanual uterine compression; maternal and neonatal mortality; and prenatal care. Participants sent texts to a pre‐programmed number to report data for all births they attended over a 90‐day period.

Results

In total, 425 births and 13 (3.1%) cases of PPH were reported during the 90‐day period after training. All attendants followed the reporting protocol correctly, although with uncertain data integrity.

Conclusion

The results indicate that it is possible to train professional and traditional birth attendants to use cell phones to report health‐related outcome data via a specified protocol. Reporting from rural‐based providers may present a more accurate picture of what occurs in remote communities because it happens in real time. These findings could be exportable to other program evaluation or population‐monitoring applications (healthcare and other) where rural outcome tracking is necessary.
Conscientious commitment to women's health
Authors: Dickens Bernard M. , Cook Rebecca J.
Published: April 2011

Conscientious commitment, the reverse of conscientious objection, inspires healthcare providers to overcome barriers to delivery of reproductive services to protect and advance women's health. History shows social reformers experiencing religious condemnation and imprisonment for promoting means of birth control, until access became popularly accepted. Voluntary sterilization generally followed this pattern to acceptance, but overcoming resistance to voluntary abortion calls for courage and remains challenging. The challenge is aggravated by religious doctrines that view treatment of ectopic pregnancy, spontaneous abortion, and emergency contraception not by reference to women's healthcare needs, but through the lens of abortion. However, modern legal systems increasingly reject this myopic approach. Providers’ conscientious commitment is to deliver treatments directed to women's healthcare needs, giving priority to patient care over adherence to conservative religious doctrines or religious self‐interest. The development of in vitro fertilization to address childlessness further illustrates the inspiration of conscientious commitment over conservative objections.
EFFECT OF SEED PRIMING AND MICRO-DOSING OF FERTILIZER ON SORGHUM AND PEARL MILLET IN WESTERN SUDAN
Authors: AUNE JENS B. , OUSMAN ABDELRAHMAN
Published: April 2011

The effect of seed priming and micro-dosing (the application of small amounts of mineral fertilizers) was studied in sorghum and pearl millet in on-station and on-farm experiments for three seasons under rainfed conditions in the North Kordofan State, western Sudan. Seed priming consists of soaking the seeds for eight hours in water prior to sowing. Seed priming increased sorghum grain yield in the on-station experiments across three seasons from 482 kg ha−1 to 807 kg ha−1. Micro-dosing of 0.3 g, 0.6 g and 0.9 g NPK fertilizer (17-17-17) per pocket increased sorghum grain yield by 50.4, 68.8 and 109.7% respectively compared to the control. Seed priming did not significantly increase pearl millet yield while the micro-doses of 0.3, 0.6 and 0.9 g fertilizer increased millet yield by 31.3, 30.7 and 47% respectively. On-farm seed priming increased sorghum yields by 32.6% while seed priming plus 0.3 g fertilizer increased yields by 69.5%. For millet, the corresponding yields increased by 29.8% and 71% respectively. Fertilizer use efficiency for both crops increased remarkably with seed priming, although this effect was more apparent in sorghum than in millet. In sorghum, seed priming and the application of 0.9 g fertilizer per pocket increased the gross margin from 49.5 to 206.5 US$/ha. For millet, the gross margin increased from 44.9 in the control to 90.0 US$/ha with the combination of seed priming and 0.3 g fertilizer per pocket. These technologies are simple to apply; they offer low financial cost and low risk and are affordable for resource-poor farmers.
EFFECT OF SEED PRIMING AND MICRO-DOSING OF FERTILIZER ON GROUNDNUT, SESAME AND COWPEA IN WESTERN SUDAN
Authors: OUSMAN ABDELRAHMAN , AUNE JENS B.
Published: April 2011

The effect of seed priming and micro-dosing in groundnut, cowpea and sesame was studied for three years in on-farm and on station experiments under rainfed agriculture in North Kordofan, Sudan. The on-station trials showed that seed priming increased groundnut pod and hay yields by 18% and 20% respectively. Micro-dosing of 0.3, 0.6 and 0.9 g fertilizer per pocket increased groundnut pod yield across the three years by 36.7, 67.6 and 50.8% respectively compared to the control. The highest yield increases were consistently obtained when micro-dosing was combined with seed priming. A combination of seed priming and micro-dosing of 0.6 g increased groundnut yield by 106%. Priming alone did not significantly affect sesame seed or hay yield, but micro-dosing of 0.6 g per pocket increased the grain yield by 38% over the control. Cowpea grain yield in the on-station experiments was not significantly affected by seed priming or micro-dosing. However, both seed priming and micro-dosing increased cowpea hay yield. In the on-farm trials, seed priming increased groundnut and cowpea yields by 18.2 and 25.5% respectively, and seed priming combined with 0.3 g fertilizer increased their yields by 42.2 and 54.5% respectively compared to the control. For sesame the yield increase after 0.3 g fertilizer per pocket was 46.3%. The economic analyses of the on-station experiments showed that the highest gross margin was obtained when combining seed priming with 0.6 g micro-dosing for all the crops. These results show that the combination of micro-dosing and seed priming has the potential to increase productivity and improve net return in the crops tested.
Ellipsoidal capsules in simple shear flow: prolate versus oblate initial shapes
Authors: WALTER J. , SALSAC A.-V. , BARTHÈS-BIESEL D.
Published: April 2011

The large deformations of an initially-ellipsoidal capsule in a simple shear flow are studied by coupling a boundary integral method for the internal and external flows and a finite-element method for the capsule wall motion. Oblate and prolate spheroids are considered (initial aspect ratios: 0.5 and 2) in the case where the internal and external fluids have the same viscosity and the revolution axis of the initial spheroid lies in the shear plane. The influence of the membrane mechanical properties (mechanical law and ratio of shear to area dilatation moduli) on the capsule behaviour is investigated. Two regimes are found depending on the value of a capillary number comparing viscous and elastic forces. At low capillary numbers, the capsule tumbles, behaving mostly like a solid particle. At higher capillary numbers, the capsule has a fluid-like behaviour and oscillates in the shear flow while its membrane continuously rotates around its deformed shape. During the tumbling-to-swinging transition, the capsule transits through an almost circular profile in the shear plane for which a long axis can no longer be defined. The critical transition capillary number is found to depend mainly on the initial shape of the capsule and on its shear modulus, and weakly on the area dilatation modulus. Qualitatively, oblate and prolate capsules are found to behave similarly, particularly at large capillary numbers when the influence of the initial state fades out. However, the capillary number at which the transition occurs is significantly lower for oblate spheroids.
Popular Participation in State Formation: Land Reform in Revolutionary Mexico
Authors: BAITENMANN HELGA
Published: April 2011

Land reform efforts during the armed phase of the Mexican revolution (1910–20) remain largely overshadowed by the more dramatic events of the period. Based on records held in the Archivo General Agrario in Mexico City, this article shows how villagers in different parts of Mexico negotiated their claims to land with various revolutionary regimes during the armed struggle, with particular attention to the local committees created to measure land boundaries, conduct village censuses and distribute land. These negotiations between agrarian officials and villagers laid the foundations for the first post-revolutionary national administration. The emergent federal agrarian offices doubled as a legislative branch of government, assumed quasi-judicial functions and restricted the role of municipal and state governments – qualities that would characterise Mexico's agrarian reform for the next 70 years. In highlighting the ways that early land reform efforts contributed to state formation, this article questions the current social science inclination to ‘decentre’ Mexico's post-revolutionary regime.
Chachawarmi: Silence and Rival Voices on Decolonisation and Gender Politics in Andean Bolivia
Authors: BURMAN ANDERS
Published: April 2011

This article addresses the ‘coloniality of gender’ in relation to rearticulated indigenous Aymara gender notions in contemporary Bolivia. While female indigenous activists tend to relate the subordination of women to colonialism and to see an emancipatory potential in the current process of decolonisation, there are middle-class advocates for gender equality and feminist activists who seem to fear that the ‘decolonising politics’ of the Evo Morales administration would abandon indigenous women to their ‘traditional’ silenced subordination within male-dominated structures. From the dynamics of indigenous decolonial projections, feminist critiques, middle-class misgivings and state politics, the article explores the implications of these different discourses on colonialism, decolonisation and women's subordination.
Quetzaltenango's First Mayan Mayor: Transforming Political Culture and the Politics of Belonging?
Authors: RASCH ELISABET DUEHOLM
Published: April 2011

Against the backdrop of ethnic political mobilisation in Latin America, this article examines how, as Quetzaltenango's first Mayan mayor, Rigoberto Quemé Chay transformed two interrelated dimensions of citizenship: political culture and the politics of belonging. It analyses the way in which citizenship is constituted at three levels. The first is within Xel-jú as an indigenous political organisation whose practices contrast withladinoways of doing politics. The second is in relation to internal divisions between the militant indigenous line and the intercultural group. The third is within Xel-jú as a city-centred, middle-class-oriented indigenous organisation rather than a rural, indigenous community organisation. This article argues that transformations in citizenship are limited by the political, economic and ethnic context, and that overlapping systems of repression still prevent the participation of marginalised groups in Quetzaltenango.
Large-time dynamics for the one-dimensional Schrödinger equation
Authors: Burq Nicolas
Published: April 2011

Famous results by Rademacher, Kolmogorov and Paley and Zygmund state that random series on the torus enjoy better Lp bounds that the deterministic bounds. We present a natural extension of these harmonic analysis results to a partial-differential-equations setting. Specifically, we consider the one-dimensional nonlinear harmonic oscillator i∂tu + Δu − |x|2u = |u|r−1u, and exhibit examples for which the solutions are better behaved for randomly chosen initial data than would be predicted by the deterministic theory. In particular, on a deterministic point of view, the nonlinear harmonic oscillator equation is well posed in L2(ℝ) if and only if r ≤ 5. However, we shall prove that, for all nonlinearities |u|r−1u, r > 1, not only is the equation well posed for a large set of initial data whose Sobolev regularity is below L2, but also the flows enjoy very nice large-time probabilistic behaviour.

These results are joint work with Laurent Thomann and Nikolay Tzvetkov.