bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cu(In,Ga)Se2 thin film solar cells prepared by selenization with van Doorn apparatus
Authors: Nakamura S. , Isihara T. , Takakura S. , Oka Y. , Kawamoto K. , Tanaka N. , Yamaguchi T. , Kunitsugu S. 
Published: May 2013

AbstractCu(In,Ga)Se2 (CIGS) thin films were prepared by selenization of metal precursors using van Doorn apparatus. The apparatus provides advantages such as superior Se pressure controllability and simplicity. XRD measurements revealed that the selenized films had a chalcopyrite structure. EDX measurements revealed that the Ga ratios decreased with increasing selenization temperature, while Se ratio increased. SEM measurements revealed that the films had relatively large grains and roughness. Voc= 495 V, Isc= 2.9 mA/cm2 and F.F.=0.24 were obtained. EQE spectrum indicated a small diffusion length of minority carriers for longer wavelength region. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Comparative study of Auger‐free luminescence of Rb2ZnCl4 crystals between experiment and calculation
Authors: Kitaura Mamoru , Watanabe Shinta , Ogasarawa Kazuyoshi , Ohnishi Akimasa , Sasaki Minoru 
Published: May 2013

AbstractIn this paper, we report a new type Auger‐free luminescence (AFL) of Rb2ZnCl4 crystals. Until now AFL has been reported in alkali and alkali‐earth halides. This luminescence originates from electon transitions from the valence band of halogen p orbitals to the top of outermost core levels of alkali or alkali‐earth p orbitals (p‐p transitions). On the other hand, the AFL of Rb2ZnCl4 is expected to be of p‐d type, in which the electronic transitions from Cl 3p orbitals are terminated by outermost Zn 3d core levels. The electronic states concerning are apparently different from those of alkali and alkali‐earth halides. The finding of such a peculiar AFL is achieved by comparison between results of spectroscopy experiment and cluster calculation. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Thermo‐optical constants of sesquioxide laser ceramics Yb3+:Ln2O3 (Ln=Y,Lu,Sc)
Authors: Snetkov I. L. , Silin D. E. , Palashov O. V. , Khazanov E. A. , Yagi H. , Yanagitani T. , Yoneda H. , Shirakawa A. , Ueda K. , Kaminskii A. A. 
Published: May 2013

AbstractParasitic thermal effects (thermal depolarization and thermal lens) of three Konoshima Chemical Co. laser‐ceramics samples Yb3+:Lu2O3(CYb≈1.8%), Yb3+:Y2O3(CYb≈1.8%), and Yb3+:Sc2O3(CYb≈2.5%) were measured in experiment at different pump power. The obtained results were used to calculate a number of thermo‐optical constants, which showed that sesquioxide ceramics are significantly superior to the widely used yttrium aluminum garnet Yb3+: Y3Al5O12(CYb≈10%). (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
An oblate‐spheroid geopotential approximation for global meteorology
Authors: Bénard P. 
Published: May 2013

AbstractThe spherical geopotential approximation used in most meteorological global models assumes a spherical shape for the Earth and its geopotential field. Consequently, the deviation of the geoid surface from a sphere, and the observed meridional variations of the apparent gravity are not represented. These two errors are small but their effect on medium or long‐term forecasts is debated because they are systematic and might have cumulative effects. Various formulations with spheroidal iso‐geopotential surfaces have been proposed recently, but none of them combines the advantages of an accurate description for the geopotential field and of horizontal/vertical orthogonal coordinate surfaces. This article proposes a spheroidal coordinate system which meets these two requirements. The transformation and metric factors are defined analytically. The coordinate system is defined as an approximation of orthogonal horizontal/vertical coordinates in which the vertical lines are not exactly orthogonal to true horizontal surfaces. The consequences of this deviation from orthogonality are quantified and upper bounds for the resulting errors are obtained mathematically, i.e. independently of any arbitrary numerical process. The precision of the coordinate can be made as large as desired by raising the truncation of the Taylor series used to approach its exact value, and it is shown that, in practice, truncation values in the range 5 to 8 are appropriate for global numerical weather prediction.
B‐preconditioned minimization algorithms for variational data assimilation with the dual formulation
Authors: Gürol S. , Weaver A. T. , Moore A. M. , Piacentini A. , Arango H. G. , Gratton S. 
Published: May 2013

AbstractVariational data assimilation problems in meteorology and oceanography require the solution of a regularized nonlinear least‐squares problem. Practical solution algorithms are based on the incremental (truncated Gauss–Newton) approach, which involves the iterative solution of a sequence of linear least‐squares (quadratic minimization) sub‐problems. Each sub‐problem can be solved using a primal approach, where the minimization is performed in a space spanned by vectors of the size of the model control vector, or a dual approach, where the minimization is performed in a space spanned by vectors of the size of the observation vector. The dual formulation can be advantageous for two reasons. First, the dimension of the minimization problem with the dual formulation does not increase when additional control variables are considered, such as those accounting for model error in a weak‐constraint formulation. Second, whenever the dimension of observation space is significantly smaller than that of the model control space, the dual formulation can reduce both memory usage and computational cost.In this article, a new dual‐based algorithm called RestrictedB‐preconditioned Lanczos (RBLanczos) is introduced, whereBdenotes the background‐error covariance matrix. RBLanczos is the Lanczos formulation of the RestrictedB‐preconditioned Conjugate Gradient (RBCG) method. RBLanczos generates mathematically equivalent iterates to those of RBCG and the correspondingB‐preconditioned Conjugate Gradient and Lanczos algorithms used in the primal approach. All these algorithms can be implemented without the need for a square‐root factorization ofB. RBCG and RBLanczos, as well as the corresponding primal algorithms, are implemented in two operational ocean data assimilation systems and numerical results are presented. Practical diagnostic formulae for monitoring the convergence properties of the minimization are also presented.
Mathematical modeling of folate metabolism
Authors: Panetta John C. , Paugh Steven W. , Evans William E. 
Published: May 2013

Folate metabolism is a complex biological process that is influenced by many variables including transporters, cofactors, and enzymes. Mathematical models provide a useful tool to evaluate this complex system and to elucidate hypotheses that would be otherwise untenable to test in vitro or in vivo. Forty years of model development and refinement along with enhancements in technology have led to systematic improvement in our biological understanding of these models. However, increased complexity does not always lead to increased understanding, and a balanced approach to modeling the system is often advantageous. This approach should address questions about sensitivity of the model to variation and incorporate genomic data. The folate model is a useful platform for investigating the effects of antifolates on the folate pathway. The utility of the model is demonstrated through interrogation of drug resistance, drug‐drug interactions, drug selectivity, and drug doses and schedules. Mathematics can be used to create models with the ability to design and improve rationale therapeutic interventions. WIREs Syst Biol Med 2013, 5:603–613. doi: 10.1002/wsbm.1227This article is categorized under:

Models of Systems Properties and Processes > Mechanistic Models
Biological Mechanisms > Metabolism
Translational, Genomic, and Systems Medicine > Therapeutic Methods
Comparative physiology and fermentation performance of Saaz and Frohberg lager yeast strains and the parental species Saccharomyces eubayanus
Authors: Gibson Brian R. , Storgårds Erna , Krogerus Kristoffer , Vidgren Virve 
Published: May 2013

AbstractTwo distinct genetic groups (Saaz and Frohberg) exist within the hybrid Saccharomyces pastorianus (S. cerevisiae × S. eubayanus) taxon. However, physiological/technological differences that exist between the two groups are not known. Fermentative capability of the parental S. eubayanus has likewise never been studied. Here, 58 lager strains were screened to determine which hybrid group they belonged to, and selected strains were characterized to determine salient characteristics. In 15 °P all‐malt wort fermentations at 22 °C, Frohberg strains showed greater growth and superior fermentation (80% apparent attenuation, 6.5% alcohol by volume in 3–4 days) compared to all other strains and maintained highest viability values (>93%). Fermentation with S. eubayanus was poor at the same temperature (33% apparent attenuation, 2.7% alcohol by volume at 6 days and viability reduced to 75%). Saaz strains and S. eubayanus were the least sensitive to cold (10 °C), though this did not translate to greater fermentation performance. Fermentation with S. eubayanus was poor at 10 °C but equal to or greater than that of the Saaz strains. Performance of Saaz yeast/S. eubayanus was limited by an inability to use wort maltotriose. [14C]‐Maltotriose transport assays also showed negligible activity in these strains (≤0.5 µmol min−1 g−1 dry yeast). Beers from Saaz fermentations were characterized by two‐ to sixfold lower production of the flavour compounds methyl butanol, ethyl acetate and 3‐methylbutyl acetate compared to Frohberg strains. Higher alcohol and ester production by S. eubayanus was similar to that of Frohberg strains. Copyright © 2013 John Wiley & Sons, Ltd.
Structure and Chemical Bonding of ScNiB4
Authors: Eickerling Georg , Scherer Wolfgang , Fickenscher Thomas , Rodewald Ute Ch. , Pöttgen Rainer 
Published: May 2013

AbstractThe ternary polyboride ScNiB4was synthesized from the elements by arc‐melting and subsequent annealing for crystal growth. The structure of ScNiB4was investigated by X‐ray diffraction on powder and a single crystal (high‐resolution data up to 2θ = 140°, Mo‐Kαradiation): YCrB4type,Pbam,a= 578.7(2),b= 1120.7(3),c= 327.2(1) pm,R1 = 0.0477 (1286F2values withI≥ 2(I)),wR2 = 0.1137 (all 2225F2values), and 38 variables. The four crystallographically independent boron sites build up planar layers which consist of almost regular pentagons and heptagons which sandwich the nickel and scandium atoms, respectively. Within the two‐dimensional [B4] networks each boron atom has slightly distorted trigonal planar boron coordination with B–B distances in the range 171–181 pm. A topological analysis of the electron density reveals the differences between the bonding situation of the scandium atoms in the heptagonal prismatic environment on the one hand and the Ni atoms in the pentagonal prismatic environment on the other hand.
New Synthetic Routes to Metal‐Sulfur Clusters Relevant to the Nitrogenase Metallo‐Clusters
Authors: Ohki Yasuhiro , Tatsumi Kazuyuki 
Published: May 2013

AbstractThe nitrogenase metallo‐clusters, namely P‐cluster and FeMo‐cofactor, have been attracting considerable interests because they are indispensable for biological reduction of N2 to ammonia. These clusters contain eight transition metals and several sulfur atoms in the core, and represent the most complex class of the active sites of metallo‐enzymes. The complexity of these metallo‐clusters should be associated with their roles in the nitrogenase reaction, whereas the relationship between their structures and functions still remains unclear. Mutagenesis studies and spectroscopic techniques are useful to provide insights into properties of the P‐cluster and the FeMo‐cofactor. A complementary approach to gain better understanding of these clusters would be the chemistry of their molecular models based on inorganic synthesis. This review summarizes the recent progresses in the synthesis and properties of metal‐sulfur clusters relevant to the P‐cluster or the FeMo‐cofactor of nitrogenase. Although synthesis of reliable models of FeMo‐cofactor is still a matter of substantial challenges, the synthetic analogues of P‐cluster are approaching the stage that enables the comparison of the structures and properties with the native cluster.
Pyridine vs. Bipyridine Coordination in PtCl2 Complexes of 4‐tButyl‐4'‐(4‐pyridinyl)‐2, 2'‐bipyridine
Authors: Rank Matthias , Zabel Manfred , Winter Rainer F. 
Published: May 2013

AbstractThe reaction of the new terpyridine ligand 4‐tbutyl‐4'‐(4‐pyridinyl)‐2, 2'‐bipyridine L with various sources of “PtCl2” selectively yields either trans‐[PtCl2(L)2] (1) with L bonded in a monodentate fashion via its pendant 4‐pyridyl ring or cis‐[PtCl2(L)] (2), where L coordinates in a bidentate fashion through its 2, 2'‐bipyridine subunit. The molecular structures of L and of complex 1 were determined by X‐ray crystallography and exhibit intra‐ and intermolecular hydrogen bonding. We have also converted the dichloro complex 2 into the bis(coumarin thiolate) complex 3. Owing to their free imine coordination sites, complexes 1–3 constitute interesting building blocks for multimetal structures in a “complexes as ligands” approach. The reductive behaviour of L and of complexes 1–3 has been investigated by cyclic and square wave voltammetry.
Morphologic Change in Computed Tomography of Aldosterone-Producing Adenoma after Radiofrequency Ablation
Authors: Lee Ryan K.L. , Liu Shirley Y.W. , Tong Cina S.L. , Lee Paul S.F. , Ng Enders K.W. , Ahuja Anil T. 
Published: May 2013

Objective To evaluate the morphologic changes of aldosterone-producing adenoma (APA) on computed tomography (CT) before and after radiofrequency ablation (RFA) and to assess the factors that are important in determining successful complete ablation of these tumours. Method Between August 2004 and August 2011, 24 consecutive patients with APA undergoing CT-guided percutaneous RFA were identified from our prospective database. The pre-RFA and post-RFA CT appearances of these APAs that showed positive biochemical response were reviewed retrospectively for their 3-dimensional size, tumour volume, and CT attenuation in terms of Hounsfield units (HU). A comparison of these parameters before and after RFA was performed. Results In this study, there were 23 APAs in these 24 patients that showed biochemical cure of primary aldosteronism after RFA. When comparing post-RFA to pre-RFA CTs, there was no significant change in tumour size (14.5 mm vs 14.6 mm: P = .83) and tumour volume (1.55 cm3 vs 1.59 cm3; P = .41) after RFA. In nonenhanced CT images, there was no significant reduction in HU from pre-RFA to post-RFA measurements (4.4 HU vs 7.9 HU; P = .52). In contrast-enhanced CTs, there was a significant drop in HU after RFA (from 48.3 HU to 14.7 HU; P = .03). None of the included cases showed a focal region of contrast enhancement to suggest residual tumour. Conclusion A change in tumour size, tumour volume, and HU in nonenhanced CT were unreliable in defining radiologic treatment success. Only changes in HU in contrast-enhanced CT was useful in confirming a positive treatment response after RFA for APA.
A case–control study of risk factors for ileus and bowel obstruction following benign gynecologic surgery
Authors: Antosh Danielle D. , Grimes Cara L. , Smith Aimee L. , Friedman Sarah , Mcfadden Brook L. , Crisp Catrina C. , Allen Arielle M. , Gutman Robert E. , Rogers Rebecca G. ,   Fellows' Pelvic Research Network
Published: May 2013

AbstractObjectiveTo identify risk factors leading to the development of postoperative ileus and small‐bowel obstruction (SBO) after benign gynecologic surgery.MethodsIn a multicenter case–control study across the United States, data were examined from women with International Classification of Diseases 9 (ICD‐9) and Current Procedural Terminology (CPT) codes who underwent benign gynecologic surgery between January 2005 and June 2010 and subsequently developed an ileus or SBO. Each patient with ileus or SBO was matched to 2 control women who underwent the same benign gynecologic procedure but did not develop ileus or SBO.ResultsDuring the study period, 144 cases and 288 controls were identified. By conditional multivariate logistic regression, risk factors for ileus or SBO included cystotomy (odds ratio [OR], 8.7; 95% confidence interval [CI], 1.48–51.47), concomitant bowel surgery (OR, 4.3; 95% CI, 1.18–15.78), perioperative transfusion (OR, 2.9; 95% CI, 1.44–5.95), and lysis of adhesions (OR, 1.7; 95% CI, 1.03–2.83).ConclusionLysis of adhesions, concomitant bowel surgery, and perioperative complications such as blood transfusion and cystotomy were found to be risk factors for the development of ileus and/or SBO after benign gynecologic surgery.
Chemostratigraphy of the Vendian–Cambrian carbonate sedimentary cover of the Tuva-Mongolian microcontinent
Authors: Vishnevskaya I.A. , Letnikova E.F. 
Published: May 2013

Abstract
The carbonate sediments from the Vendian–Cambrian shelf of the Tuva-Mongolian microcontinent were dated by Sr and C isotope chemostratigraphy. Analysis of the Sr-isotopic characteristics (0.70725–0.70873) and δ13C variations (+10.5 to –3.5‰), as well as their comparison with the data on the key sections of Siberia, Africa, Central Asia, Australia, South America, and Spitsbergen, showed that the carbonate sedimentary cover of the Tuva-Mongolian microcontinent accumulated at 600–520 Ma and the carbonate sediments of the Muren Formation and the basal beds of the Bokson Group near the Ukha-Gol River are the oldest. Their sedimentation followed the Marinoan global glaciation.
The Shakhtama porphyry Mo ore-magmatic system (eastern Transbaikalia): age, sources, and genetic features
Authors: Berzina A.P. , Berzina A.N. , Gimon V.O. , Krymskii R.Sh. , Larionov A.N. , Nikolaeva I.V. , Serov P.A. 
Published: May 2013

Abstract
Two intrusive complexes are recognized at the Shakhtama deposit: Shakhtama and ore-bearing porphyry. The U–Pb zircon dates (SHRIMP II) are 161.7 ± 1.4 and 161.0 ± 1.7 Ma for the monzonites and granites of the Shakhtama complex and 159.3 ± 0.9 and 155.0 ± 1.7 Ma for the monzonite- and granite-porphyry of the ore-bearing complex. The igneous complexes formed in a complex geodynamic setting in the late Middle Jurassic and early Late Jurassic, respectively. The setting combined the collision of continents during the closure of the Mongol-Okhotsk ocean and the influence of mantle plume on the lithosphere of the Central Asian orogenic belt. The intrusion of the Shakhtama granitoids took place at the end of the collision, and the intrusion of porphyry of the ore-bearing complex, during the change of the geodynamic setting by a postcollisional (rifting) one. The complexes are composed of monzonite–granite series with similar geochemical characteristics of rocks. The performed geological, geochemical, and isotope-geochemical studies suggest that the sources of magmas were juvenile crust and Precambrian metaintrusive bodies. The juvenile mafic crust is considered to be the predominant source of fluid components and metals of the Shakhtama ore-magmatic system. The granitoids of both complexes include calc-alkalic high-K rocks with typical geochemical characteristics and with characteristics of K-adakites. These geochemical features indicate that the parental melts of the former rocks were generated at depths shallower than 55 km, and the melts of the latter, at depths of 55–66 km. K-adakite melts resulted from the melting of crust submerged into the mantle during the lithosphere delamination, which was caused by the crust thickening as a result of the repeated inflow of basic magma into the basement of the crust and tectonic deformations in its upper horizons. The high-Mg monzonitic magma produced under these conditions ascended and was mixed with melts generated in the upper horizons, which accounts for the high Mg contents of the Shakhtama granitoids. The similar compositions and petrogeochemical characteristics of the granitoids of the Shakhtama and porphyry complexes point to the same sources, transport paths, and evolution trend of their parental melts. This indicates that the igneous rocks of both complexes are products of the same long-living magmatic system, which produced Mo mineralization at the final stage. The favorable conditions for the ore production in the magmatic system during the formation of the porphyry complex appeared as early as the preceding stage—during the formation of the Shakhtama complex, which we regard as a preparatory stage in the evolution of the ore-magmatic system.
Influence of natural organic acids on the Mg/Ca ratio in the bottom sediments of highly mineralized lakes
Authors: Gas’kova O.L. , Sklyarova O.A. 
Published: May 2013

Abstract
Thermodynamic modeling of equilibria in the system water–rock–organic acids was used to study the influence of organic acids on Ca and Mg redistribution between a solution and a solid phase in connection with the use of calcites of variable composition CaxMg1–xCO3 as indicators of paleoclimatic environments. In the thermodynamic model, high-molecular humic substances (fulvic + humic acids) were represented by a set of independent metal-binding centers. Therefore, their number was preset based on the given density of proton- or metal-binding sites. The numerical implementation of several geochemical situations involving the dissolution/deposition of calcites with different Mg contents showed that the main effect of fulvic and humic acids is the acidification of solutions and the reduction of carbonate stability. Although humic substances can play an important role in fixing Ca and Mg and removing them from solution, their actual concentrations in natural media (&lt;&lt;1 g/L) do not cause significant changes in the composition of CaxMg1–xCO3 phases. On the other hand, there is quantitative evidence that variations in the Mg/Ca ratio in a solution and a solid phase are significantly influenced by the evaporative concentration of Mg-oversaturated solutions, alkalization/acidification during their evolution, or CO2 content variations owing to changes in climate and lake activity.
Aspects of metabolic changes in first-episode drug-naïve schizophrenic patients
Authors: Uzbekov Marat G. , Misionzhnik Eduard , Gurovich Isaak , Shmukler Alexander , Moskvitina Tatjana 
Published: May 2013

AimThe aim of the study was to investigate the state of parameters characterising different sites of metabolism and the degree of endogenous intoxication in first-episode drug-naïve schizophrenic [first episode of schizophrenia (FES)] patients. It is hypothesised that the FES is the initial step in the development of pathologically disturbed biochemical status that is characteristic of chronic schizophrenia.MethodsPlatelet monoamine oxidase (MAO) and serum semicarbazide-sensitive amine oxidase (SSAO) activities, serum concentrations of middle-mass endotoxic molecules (MMEM) and malondialdehyde and parameters of the serum albumin functional state were measured in 26 FES patients and 15 age-matched healthy controls.ResultsSeverity of disorder before the treatment was 75.5 ± 2.2, according to Positive and Negative Syndrome Scale score. FES patients were characterised by significant increase in MAO activity (99%) and MMEM concentration (124%) and significant decrease in SSAO activity (26%) as compared with controls. Changes of all other parameters were insignificant. Regression analysis has showed a significant relationship of three parameters – MAO, SSAO and MMEM, with values of PANNS score. Two methods of extraction of factor analysis revealed that MAO and SSAO belonged to Factor 1, whereas MMEM and albumin functional parameters belonged to Factor 2.ConclusionComparing our earlier data on chronic schizophrenic patients with present data, we hypothesise that FES patients are at the stage that leads to a stable, pathological state of metabolism.