bluuebunny/crossref_metadata_2025_split huggingface dataset:
Kinetic mobility and connectivity in nanopore networks
Authors: Wang Fu Yang , Zhu Zhong Hua , Massarotto Paul , Rudolph Victor 
Published: February 2011

AbstractExperimental results for methane and carbon dioxide diffusion in coal, as reported in the literature, often lead to diffusion rates of CO2 appearing to be much greater than that of CH4. The interpretation sometimes offered that the diffusion coefficient for CO2 is 1–2 orders of magnitude higher than that of CH4, violates fundamental principles. Nevertheless, the experimental observations require explanation. In this article, we: (a) Develop simplified models for the fast estimation of transport coefficients. These are compared with comprehensive grand canonical Monte Carlo (GCMC) and molecular dynamic (MD) simulations, collectively defined as molecular simulations (MS), which provide theoretical adsorption isotherms and various transport coefficients based on multicenter potential energy equations. The simplified models are shown to have acceptable accuracies. (b) Use the simplified models to compare diffusivities of CO2 and CH4 in carbon nanopores. For all cases examined, the diffusivity of CH4 is always larger than that of CO2. (c) Offer two explanations for the apparently contradictory experimental observations (that CO2 sometimes appears to diffuse much faster than the CH4 molecule, even though CH4 is lighter and has smaller adsorption affinity): (i) CH4 mobility could be significantly reduced by directional forces resulting from irregular pore geometries; and (ii) if pores contain throats with sizes close to the CH4 molecular diameter, the energy barrier that the methane molecules must overcome to proceed through is much larger than that required for CO2. (d) Demonstrate that both mobility and connectivity issues can be addressed using kinetic theory in association with percolation analysis. Furthermore, this method of understanding pore networks provides a number of important quantitative measures including percolation threshold, size of largest cluster, shortest path and tortuosity. Separating different transport mechanisms, as we propose here, provides improved insights into the complex transport phenomena that occur in carbonaceous porous media. In many cases, diffusivities reported in the literature with mixed mechanisms are better named “apparent transport coefficients,” because they lump in other unrelated phenomena, violating the fundamental basis of, or mathematical assumptions imposed on, the definition of diffusion. © 2011 American Institute of Chemical Engineers AIChE J, 2012
Argininosuccinate lyase deficiency—Argininosuccinic aciduria and beyond
Authors: Erez Ayelet , Nagamani Sandesh C. Sreenath , Lee Brendan 
Published: February 2011

AbstractThe urea cycle consists of six consecutive enzymatic reactions that convert waste nitrogen into urea. Deficiencies of any of these enzymes of the cycle result in urea cycle disorders (UCD), a group of inborn errors of hepatic metabolism that often result in life threatening hyperammonemia. Argininosuccinate lyase (ASL) is a cytosolic enzyme which catalyzes the fourth reaction in the cycle and the first degradative step, that is, the breakdown of argininosuccinic acid to arginine and fumarate. Deficiency of ASL results in an accumulation of argininosuccinic acid in tissues, and excretion of argininosuccinic acid in urine leading to the condition argininosuccinic aciduria (ASA). ASA is an autosomal recessive disorder and is the second most common UCD. In addition to the accumulation of argininosuccinic acid, ASL deficiency results in decreased synthesis of arginine, a feature common to all UCDs except argininemia. Arginine is not only the precursor for the synthesis of urea and ornithine as part of the urea cycle but it is also the substrate for the synthesis of nitric oxide, polyamines, proline, glutamate, creatine, and agmatine. Hence, while ASL is the only enzyme in the body able to generate arginine, at least four enzymes use arginine as substrate: arginine decarboxylase, arginase, nitric oxide synthetase (NOS) and arginine/glycine aminotransferase. In the liver, the main function of ASL is ureagenesis, and hence, there is no net synthesis of arginine. In contrast, in most other tissues, its role is to generate arginine that is designated for the specific cell's needs. While patients with ASA share the acute clinical phenotype of hyperammonemia, encephalopathy, and respiratory alkalosis common to other UCD, they also present with unique chronic complications most probably caused by a combination of tissue specific deficiency of arginine and/or elevation of argininosuccinic acid. This review article summarizes the clinical characterization, biochemical, enzymatic, and molecular features of this disorder. Current treatment, prenatal diagnosis, diagnosis through the newborn screening as well as hypothesis driven future treatment modalities are discussed. © 2011 Wiley‐Liss, Inc.
Gender and population history: Sex bias revealed by studying genetic admixture of Ngazidja population (Comoro Archipelago)
Authors: Gourjon Géraud , Boëtsch Gilles , Degioanni Anna 
Published: February 2011

AbstractThe peopling of Comoro Archipelago is defined by successive waves of migration from three main areas: the East African Coast (Bantu‐speaking populations), the Persia and Arabian Peninsula, and Southeast Asia (especially Indonesia). It follows an apparent classic trihybrid admixture model. To better understand the Comorian population admixture dynamics, we analyzed the contributions of these three historical parental components to its genetic pool. To enhance accuracy and reliability, we used both classical and molecular markers. Samples consist of published data: blood group frequencies, 14 KIR genes, 19 mitochondrial DNA SNPs (to highlight female migrations), 14 Y chromosome SNPs (male migrations). We revealed distinct admixture patterns for autosomal and uniparental markers. KIR gene frequencies had never been used to estimate admixture rates, this being a first assessment of their informative power in admixture studies. To avoid major methodological and statistical bias, we determined admixture coefficients through nine well‐tried estimators and their associated software programs (ADMIX95, ADMIX, admix 2.0, LEA, LEADMIX, and Mistura). Results from mtDNA and Y chromosome markers point to an important sex‐bias in the admixture event. The original Bantu gene pool received a predominant male‐mediated contribution from the Arabian Peninsula and Persia, and a female‐mediated contribution from Southeast Asia. Admixture rates estimated from autosomal KIR gene markers point also to an unexpected elevated Austronesian contribution. Am J Phys Anthropol, 2011. © 2011 Wiley‐Liss, Inc.
Pretreatment of sugarcane bagasse by ultrasound energy and dilute acid
Authors: Esfahani Milad Rabbani , Azin Mehrdad 
Published: February 2011

ABSTRACTIn order to improve the efficiency of conversion of lignocellulosic materials to simple sugars in an environmentally friendly manner, the efficiency of ultrasonic pretreatment, as an alternative pretreatment method to conventional ones, was studied. Ultrasound waves with their mechanical features on degradation of organic network and effect on the chemical reactions can be used as the new method for pretreatment of lignocellulosic material. The influences of enzyme, particle size, acid concentration, power of ultrasound, and time of irradiation of ultrasound on releasing the simple sugars were investigated. The optimal conditions of pretreatment were obtained by using Taguchi method. The results indicate that the sequence of influential factors is enzyme, particle size, acid concentration, duration of ultrasonication, and power of ultrasound. Under optimal conditions (using enzyme, particle size < 0.18 mm, acid concentration (v/v) 3%, ultrasound power 120 W and 180 s ultrasound time) the sugars' yield was 26.01 (g/L) which was 94.49% of the expected theoretical result. This suggests that ultrasound‐acid pretreatment of sugar cane bagasse can be used as an effective method for pretreatment though at this stage much more information is required. Copyright © 2011 Curtin University of Technology and John Wiley & Sons, Ltd.
Antiinflammatory and antifibrotic effects of the oral direct thrombin inhibitor dabigatran etexilate in a murine model of interstitial lung disease
Authors: Bogatkevich Galina S. , Ludwicka‐Bradley Anna , Nietert Paul J. , Akter Tanjina , van Ryn Joanne , Silver Richard M. 
Published: February 2011

AbstractObjectiveActivation of the coagulation cascade leading to generation of thrombin has been documented extensively in various forms of lung injury, including that associated with systemic sclerosis. We previously demonstrated that the direct thrombin inhibitor dabigatran inhibits thrombin‐induced profibrotic signaling in lung fibroblasts. This study was undertaken to test whether dabigatran etexilate attenuates lung injury in a murine model of interstitial lung disease.MethodsLung injury was induced in female C57BL/6 mice by a single intratracheal instillation of bleomycin. Dabigatran etexilate was given as supplemented chow beginning on day 1 of bleomycin instillation (early treatment, study of antiinflammatory effect) or on day 8 following bleomycin instillation (late treatment, study of antifibrotic effect). Mice were killed 2 weeks or 3 weeks after bleomycin instillation, and lung tissue, bronchoalveolar lavage (BAL) fluid, and plasma were investigated.ResultsBoth early treatment and late treatment with dabigatran etexilate attenuated the development of bleomycin‐induced pulmonary fibrosis. Dabigatran etexilate significantly reduced thrombin activity and levels of transforming growth factor β1 in BAL fluid, while simultaneously reducing the number of inflammatory cells and protein concentrations. Histologically evident lung inflammation and fibrosis were significantly decreased in dabigatran etexilate–treated mice. Additionally, dabigatran etexilate reduced collagen, connective tissue growth factor, and α‐smooth muscle actin expression in mice with bleomycin‐induced lung fibrosis, whereas it had no effect on basal levels of these proteins.ConclusionInhibition of thrombin using the oral direct thrombin inhibitor dabigatran etexilate has marked antiinflammatory and antifibrotic effects in a bleomycin model of pulmonary fibrosis. Our data provide preclinical information about the feasibility and efficacy of dabigatran etexilate as a new therapeutic approach for the treatment of interstitial lung disease.
Vergleichende Analyse der thermischen Beanspruchungs intensitäten bei normativen Raumbrandversuchen
Authors: Bansemer Björn , Klinksiek Malte , Wittbecker Friedrich‐Wilhelm 
Published: February 2011

AbstractInternational existieren verschiedene genormte Raumbrandprüfungen, in welchen das Brandverhalten von Wand‐ und Deckenprodukten unter realitätsnahen Einbaubedingungen untersucht wird. Die Prüfmethoden unterscheiden sich zum Teil erheblich hinsichtlich der Raumgeometrie, der Ventilationsöffnungen bzw. ‐verhältnisse sowie der Art und Leistung der verwendeten Zündquellen. Auf der Basis von Brandsimulationsrechnungen mit dem CFD‐Code FDS wurde die Intensität der resultierenden thermischen Produktbeanspruchung für ausgewählte Prüfräume vergleichend analysiert. Die Simulationsergebnisse zeigen, dass zwischen den betrachteten Methoden deutliche Unterschiede bestehen, die zu inkonsistenten Produktbeurteilungen führen können.Comparative analysis of thermal exposure conditions in standard room fire tests. Various standards exist worldwide that describe room fire tests for determining the reaction to fire behaviour of wall and ceiling products under end‐use conditions. The test methods differ with respect to the room geometry, the ventilation conditions and the type and heat output of the ignition source. Numerical simulations were performed using the CFD code FDS to comparatively analyse the resulting thermal exposure conditions for selected test rooms. The simulation results exhibit considerable differences between the analysed test methods, which may lead to inconsistent product assessments.
Untersuchungen zum Versagen von Klebfugen unter klimatischer Langzeitbeanspruchung
Authors: Schnider Thomas , Niemz Peter , Steiger Benjamin , von Arx Urs 
Published: February 2011

AbstractAn Klebverbindungen werden im Konstruktiven Holzbau hohe Anforderungen hinsichtlich Güte und Dauerhaftigkeit gestellt. Mit 1‐K PUR, MUF und PRF verklebte Lamellen aus Rotbuche und Fichte wurden einer Freibewitterung, einer künstlichen Bewitterung und einem feucht‐trocken Wechselklima ausgesetzt. Nach einer abgestuften Behandlungsdauer wurden die Zugscherfestigkeit sowie die Schalllaufzeit senkrecht zur Klebfuge und die Eigenfrequenz bei Biegeschwingungen bestimmt. Ergänzend wurde die Delaminierungsbeständigkeit an Brettschichtholz aus Fichte nach DIN EN 302‐2 durchgeführt. Im untersuchten Behandlungszeitraum wurde bei allen Proben keine erkennbare Delaminierung festgestellt. Ein Zusammenhang zwischen Behandlungsdauer und Zugscherfestigkeit konnte nicht nachgewiesen werden. Ebenso bestand keine gesicherte Korrelation zwischen der Zugscherfestigkeit und der Schalllaufzeit sowie der Eigenfrequenz.Investigations on the failure of bond lines under long‐term climatic stress. With 1‐K PUR, MUF and PRF parallel to the grain glued lamellas of spruce and beech were exposed to different climatic loads (natural and artificial weathering, controlled alternating moist‐dry climate). All adhesives are approved for use in timber construction. After shortening the weathering duration running time of ultrasonic, vertical to the bonding layer and tensile shear strength were measured. In addition, delamination tests of glued spruce wood were carried out according to DIN EN 302‐2. Investigation of the samples after the test period revealed no signs of delamination. No correlation was verified between the number of cycles and tensile shear strength and NDT methods.
Discrimination measures for survival outcomes: Connection between the AUC and the predictiveness curve
Authors: Viallon Vivian , Latouche Aurélien 
Published: February 2011

AbstractFinding out biomarkers and building risk scores to predict the occurrence of survival outcomes is a major concern of clinical epidemiology, and so is the evaluation of prognostic models. In this paper, we are concerned with the estimation of the time‐dependent AUC – area under the receiver‐operating curve – which naturally extends standard AUC to the setting of survival outcomes and enables to evaluate the discriminative power of prognostic models. We establish a simple and useful relation between the predictiveness curve and the time‐dependent AUC – AUC(t). This relation confirms that the predictiveness curve is the key concept for evaluating calibration and discrimination of prognostic models. It also highlights that accurate estimates of the conditional absolute risk function should yield accurate estimates for AUC(t). From this observation, we derive several estimators for AUC(t) relying on distinct estimators of the conditional absolute risk function. An empirical study was conducted to compare our estimators with the existing ones and assess the effect of model misspecification – when estimating the conditional absolute risk function – on the AUC(t) estimation. We further illustrate the methodology on the Mayo PBC and the VA lung cancer data sets.
Flow system for the automatic screening of the effect of phenolic compounds on the luminol–hydrogen peroxide–peroxidase chemiluminescence system
Authors: Araujo André R. T. S. , Maya Fernando , Saraiva M. Lúcia M. F. S. , Lima José L. F. C. , Estela José M. , Cerdà Víctor 
Published: February 2011

ABSTRACTIn this work, an automated flow‐based procedure for the screening of the effect of the different phenolic compounds on the chemiluminescence (CL) luminol–hydrogen peroxide–horseradish peroxidase (HRP) system is presented. This procedure involves the combination of multisyringe flow injection analysis (MFSIA) and sequential injection analysis (SIA) techniques and exploits the ability of the different subgroups of phenols, such as cholorophenols, nitrophenols, methylphenols and polyphenols, to enhance or inhibit the described CL system. The implementation of this reaction in the SIA–MSFIA system enabled favourable and precise conditions to evaluate the effect of phenolic compounds, as it involves an in‐line reaction between the phenolic derivative, hydrogen peroxide and peroxidase and subsequent oxidized HRP intermediates generation prior to the fast reaction with the chemiluminogenic reagent. Several studies were then performed with the aim of establishing the appropriate flow system configuration and reaction conditions. It was shown that phenol and chlorophenols produce an enhanced CL response and nitrophenols, methylphenols and polyphenols are inhibitors within the range of concentrations studied (1–100 mg/L). Based on these studies, the developed method was applied to the determination of total polyphenol and phenol content in wine/grape seeds and water samples, respectively, and the results obtained showed good agreement with those furnished by the corresponding Folin–Ciocalteu and 4‐aminoantipyrine reference methods. The developed approach is further pursued by designing an automated generic tool for performing studies of peroxidase‐catalysed CL reactions of luminol focused on the detection of compounds that will affect the rate of those reactions. Copyright © 2011 John Wiley & Sons, Ltd.
Poly(triazine imide) with Intercalation of Lithium and Chloride Ions [(C3N3)2(NHxLi1−x)3⋅LiCl]: A Crystalline 2D Carbon Nitride Network
Authors: Wirnhier Eva , Döblinger Markus , Gunzelmann Daniel , Senker Jürgen , Lotsch Bettina V. , Schnick Wolfgang 
Published: February 2011

AbstractPoly(triazine imide) with intercalation of lithium and chloride ions (PTI/Li+Cl−) was synthesized by temperature‐induced condensation of dicyandiamide in a eutectic mixture of lithium chloride and potassium chloride as solvent. By using this ionothermal approach the well‐known problem of insufficient crystallinity of carbon nitride (CN) condensation products could be overcome. The structural characterization of PTI/Li+Cl− resulted from a complementary approach using spectroscopic methods as well as different diffraction techniques. Due to the high crystallinity of PTI/Li+Cl− a structure solution from both powder X‐ray and electron diffraction patterns using direct methods was possible; this yielded a triazine‐based structure model, in contrast to the proposed fully condensed heptazine‐based structure that has been reported recently. Further information from solid‐state NMR and FTIR spectroscopy as well as high‐resolution TEM investigations was used for Rietveld refinement with a goodness‐of‐fit (χ2) of 5.035 and wRp=0.05937. PTI/Li+Cl− (P63cm (no. 185); a=846.82(10), c=675.02(9) pm) is a 2D network composed of essentially planar layers made up from imide‐bridged triazine units. Voids in these layers are stacked upon each other forming channels running parallel to [001], filled with Li+ and Cl− ions. The presence of salt ions in the nanocrystallites as well as the existence of sp2‐hybridized carbon and nitrogen atoms typical of graphitic structures was confirmed by electron energy‐loss spectroscopy (EELS) measurements. Solid‐state NMR spectroscopy investigations using 15N‐labeled PTI/Li+Cl− proved the absence of heptazine building blocks and NH2 groups and corroborated the highly condensed, triazine‐based structure model.
ChemInform Abstract: Intermediate States on the Way to Edge‐Sharing BO4 Tetrahedra in M6B22O39·H2O (M: Fe, Co).
Authors: Neumair Stephanie C. , Knyrim Johanna S. , Oeckler Oliver , Glaum Robert , Kaindl Reinhard , Stalder Roland , Huppertz Hubert 
Published: February 2011

AbstractThe new title compounds are prepared from mixtures of Fe2O3 or Co3O4 and H3BO3 in a Walker‐type multi‐anvil apparatus (6 GPa, 880 °C (Fe), 950 °C (Co), 10 min) and characterized by single crystal XRD, IR, Raman, and UV/VIS spectroscopy.
ChemInform Abstract: Pronounced Negative Thermal Expansion from a Simple Structure: Cubic ScF3.
Authors: Greve Benjamin K. , Martin Kenneth L. , Lee Peter L. , Chupas Peter J. , Chapman Karena W. , Wilkinson Angus P. 
Published: February 2011

AbstractThe temperature‐dependent unit cell volume and phase behavior of ScF3 is investigated by powder XRD.
ChemInform Abstract: Hydrothermal Synthesis, Structures and Magnetic Studies of Transition Metal Sulfates Containing Hydrazine.
Authors: Jia Li‐Hui , Li Ru‐Yin , Duan Zhi‐Ming , Jiang Shang‐Da , Wang Bing‐Wu , Wang Zhe‐Ming , Gao Song 
Published: February 2011

AbstractCompounds (II) and (III) are characterized by single crystal XRD, magnetic measurements, and DFT calculations.
ChemInform Abstract: A Potassium‐Lithium Double Salt of Decavanadate Showing Unprecedented (6,8)‐Connected Topology.
Authors: Lue Yaokang , Feng Yunlong 
Published: February 2011

AbstractThe new compound K4Li2 [V10O28]·10H2O is synthesized from a solution of NH4VO3, LiOH, the potassium salt of D‐saccharic acid, and H2O2 in MeOH (40 °C, 30 min) followed by slow evaporation at room temperature (60% yield).
ChemInform Abstract: Synthesis of Layered Sodium Manganese Phosphate via Low‐Heating Solid State Reaction and Its Properties.
Authors: Wu Xuehang , Wu Wenwei , Liu Chen , Li Shushu , Liao Sen , Cai Jinchao 
Published: February 2011

AbstractNaMnPO4·3H2O is synthesized for the first time by room temperature solid state reaction of MnSO4·H2O and Na3PO4·12H2O in the presence of polyethylene glycol surfactant PEG‐400 (grinding, 40 min).
ChemInform Abstract: Direct Atomic Layer Deposition of Ternary Ferrites with Various Magnetic Properties.
Authors: Chong Yuen Tung , Yau Eric Man Yan , Nielsch Kornelius , Bachmann Julien 
Published: February 2011

AbstractAir‐stable ferrimagnetic oxides CoxFe3‐xO4 and NixFe3‐xO4 are produced directly using atomic layer deposition.
ChemInform Abstract: Phosphorodiamidite Derivatives of 1,1′‐Bi‐2‐naphthol Containing Stereogenic Phosphorus Atoms as Ligands in Enantioselective Catalysis.
Authors: Gavrilov K. N. , Safronov A. S. , Rastorguev E. A. , Groshkin N. N. , Zheglov S. V. , Shiryaev A. A. , Maksimova M. G. , Petrovskii P. V. , Davankov V. A. , Reetz M. T. 
Published: February 2011

AbstractTwo new chiral binaphthol derivatives are synthesized and used as ligands in transition metal‐catalyzed hydrogenation, allylic alkylation and allylic amination reaction.
ChemInform Abstract: Yb(OTf)3‐Promoted ZnCl2‐Catalyzed Conia‐Ene Reaction of Linear β‐Alkynic β‐Dicarbonyls.
Authors: Liu Yu , Song Ren‐Jie , Li Jin‐Heng 
Published: February 2011

AbstractThe atom‐economical and solvent‐free Conia‐ene route allows the selective construction of five‐ to six‐membered ring carbocycles from various linear β‐alkynic β‐keto esters and β‐alkynic β‐diketones.
ChemInform Abstract: A General Synthesis of Alkenyl‐Substituted Benzofurans, Indoles, and Isoquinolones by Cascade Palladium‐Catalyzed Heterocyclization/Oxidative Heck Coupling.
Authors: Alvarez Rosana , Martinez Claudio , Madich Youssef , Denis J. Gabriel , Aurrecoechea Jose M. , de Lera Angel R. 
Published: February 2011

AbstractBenzofuran‐, indole‐, and isoquinolone‐type derivatives are prepared from readily available 2‐halo‐substituted phenol, aniline, and benzamide substrates, alkynes and functionalized olefins.
ChemInform Abstract: Oxidation of Alkyl Trifluoroborates: An Opportunity for Tin‐Free Radical Chemistry.
Authors: Sorin Geoffroy , Mallorquin Rocio Martinez , Contie Yohan , Baralle Alexandre , Malacria Max , Goddard Jean‐Philippe , Fensterbank Louis 
Published: February 2011

AbstractThe substrates can be oxidized with copper(II) salts or Dess—Martin periodinane.
ChemInform Abstract: Simultaneous Iridium Catalyzed Oxidation and Enzymatic Reduction Employing Orthogonal Reagents.
Authors: Mutti Francesco G. , Orthaber Andreas , Schrittwieser Joerg H. , de Vries Johannes G. , Pietschnig Rudolf , Kroutil Wolfgang 
Published: February 2011

AbstractThe first simultaneous combination of an Ir‐catalyzed oxidation and an enzymatic reduction is demonstrated in one pot.