bluuebunny/crossref_metadata_2025_split huggingface dataset:
Petroleum geology characteristics and exploration targets of pre-salt formations in Santos Basin, Brazil
Authors: Changwu Wu 
Published: May 2015

Abstract
The Santos Basin in Brazil has experienced three tectonic evolution stages (rifting, transitional and passive continental) with three sequences deposited (pre-salt, salt and post-salt). Source rocks in the pre-salt formations in the lower rift were the most effective source rocks in the basin. Microbial limestones in the upper rift and depression, and coquina limestones in upper rift served as the main reservoirs for the pre-salt source rocks. The salt formations had strong capping capacity thanks to great thickness and continuous distribution in the deep water area. The basement horst belt helped the formation of various structural traps. All these advantageous geologic conditions provided a good basis for the generation of giant oil and gas pools in the pre-salt formations in the basin. The basement horst belt in the deep water area in the north of the basin was a favorable location for the pre-salt hydrocarbon accumulation, where the source rocks were moderately mature, and the thick, continuously distributed salt formations provided a good preservation environment. In the shallow water area formed by a basement horst, carbonate reservoirs were well-developed, and traps such as horsts, tilted fault blocks and drape anticlines were very common. Hydrocarbons generated in the surrounding grabens migrated to and accumulated in the horsts. The other pre-salt formations had poor accumulation conditions.
The pole tide and its effect on GRACE time‐variable gravity measurements: Implications for estimates of surface mass variations
Authors: Wahr John , Nerem R. Steven , Bettadpur Srinivas V. 
Published: May 2015

AbstractGravity Recovery and Climate Experiment (GRACE) provides monthly solutions for the Earth's gravity field in the form of spherical harmonic coefficients. These can be used to infer changes in mass at the Earth's surface. The pole tide (the response of the Earth and oceans to polar motion) causes gravity signals dominated by harmonics of degree 2, order 1. If the pole tide is not removed from GRACE data, it affects the coefficients of those harmonics (C21, S21) and introduces errors when using those coefficients to determine surface mass variations. The pole tide is partially removed by GRACE processing centers before solving for the gravity field. But long‐period pole tide signals are not usually included in the GRACE pole tide correction, and so those signals are still present in the GRACE coefficients. We discuss this issue from the standpoint of somebody who uses the GRACE gravity fields to infer changes in surface mass. We arrive at a recommendation for an optimal GRACE pole tide correction. We describe how to modify the C21, S21 coefficients provided by the processing centers, so that they conform with our recommendation. We discuss the size of the pole tide contributions to C21, S21, compared to those of the direct load‐induced contributions. As an example, we show how an incompletely removed pole tide can impact GRACE results for the trend in ocean mass. We consider the impact of mantle anelasticity on long‐period pole tide corrections and conclude that it is unlikely to affect those corrections by more than 20%.
Herpes Zoster Reactivation in Patients With Rheumatoid Arthritis: Analysis of Disease Characteristics and Disease‐Modifying Antirheumatic Drugs
Authors: Pappas Dimitrios A. , Hooper Michele M. , Kremer Joel M. , Reed George , Shan Ying , Wenkert Deborah , Greenberg Jeffrey D. , Curtis Jeffrey R. 
Published: May 2015

ObjectiveTo identify the rheumatoid arthritis (RA) characteristics associated with increased herpes zoster (HZ) risk in the Corrona registry RA patients, and to evaluate the risk in initiators of tumor necrosis factor inhibitors (TNFi) or non‐TNFi biologic agents or (among those who were currently on or had been previously treated with methotrexate [MTX]) conventional synthetic disease‐modifying antirheumatic drugs (csDMARDs) other than MTX.MethodsCox regression modeling estimated the association between first HZ incidence and selected RA characteristics, including disease activity. Medication‐related risk for HZ in RA patients taking current or past MTX (to exclude milder RA disease) were categorized by treatment initiation (TNFi versus non‐TNFi versus csDMARD). Hazard ratios (HRs) estimated HZ risk of each treatment initiation category after stratification on trimmed propensity score (PS) quintiles to control for potential confounders.ResultsA total of 28,852 patients contributed 95,287 person‐years. Seven hundred twenty‐nine observed HZ cases yielded a 7.7 (95% confidence interval [95% CI] 7.1–8.2) per 1,000 patient‐years crude incidence rate, lower than found in prior RA cohorts. However, consistent with prior studies, increasing age (HR 1.14, 95% CI 1.09–1.19 per 5 years) and prednisone therapy ≥7.5 mg/day (HR 1.81, 95% CI 1.23–2.67) were associated with a higher HZ risk. Referent to TNFi exposure, PS‐stratified analysis showed an HR for csDMARDs of 1.36 (95% CI 0.82–2.25) and for non‐TNFi of 0.83 (95% CI 0.51–1.38).ConclusionIn the Corrona registry, the HZ risk in RA patients taking prior or current MTX increased with older age and higher prednisone dose. The HZ risk among these patients with RA was comparable after initiation of TNFi versus non‐TNFi versus csDMARDs.
Paroxysmal supraventricular tachycardia in pregnant women and birth outcomes of their children: A population‐based study
Authors: Bánhidy Ferenc , Ács Nándor , Puhó Erzsébet H. , Czeizel Andrew E. 
Published: May 2015

AbstractThe aim of the study was to estimate the possible association of pregnant women with paroxysmal supraventricular tachycardia (PSVT) with the possible risk for adverse birth outcomes, particularly different congenital abnormalities (CAs) in their children. Prospectively and medically recorded PSVT was evaluated in 103 pregnant women who later had offspring with CA (case group) and 149 pregnant women who later delivered newborn infants without CA (control group) and matched to cases in the population‐based data set of the Hungarian Case–Control Surveillance System of Congenital Abnormalities, 1980–1996. Of 252 pregnant women with PSVT, 115 (45.6%) had the onset of this condition before the study pregnancy, that is, their PSVT was a chronic condition, while the rest (N = 137) of PSVT was considered as new onset in the study pregnancy. The comparison of occurrence of PSVT in pregnant women who had offspring with different CA groups and in control mothers showed a higher risk for cardiovascular CAs (adjusted OR with 95% CI: 2.1, 1.1–3.8) explained mainly by secundum atrial septal defect. This association was confirmed in pregnant women with PSVT in the second and/or third gestational month, that is, critical period of cardiovascular CAs. In conclusion PSVT in pregnant women associates with a higher risk of secundum atrial septal defect in their children. © 2015 Wiley Periodicals, Inc.
A Ruthenium(II)–Copper(II) Dyad for the Photocatalytic Oxygenation of Organic Substrates Mediated by Dioxygen Activation
Authors: Iali Wissam , Lanoe Pierre‐Henri , Torelli Stéphane , Jouvenot Damien , Loiseau Frédérique , Lebrun Colette , Hamelin Olivier , Ménage Stéphane 
Published: May 2015

AbstractDioxygen activation by copper complexes is a valuable method to achieve oxidation reactions for sustainable chemistry. The development of a catalytic system requires regeneration of the CuI active redox state from CuII. This is usually achieved using extra reducers that can compete with the CuII(O2) oxidizing species, causing a loss of efficiency. An alternative would consist of using a photosensitizer to control the reduction process. Association of a RuII photosensitizing subunit with a CuII pre‐catalytic moiety assembled within a unique entity is shown to fulfill these requirements. In presence of a sacrificial electron donor and light, electron transfer occurs from the RuII center to CuII. In presence of dioxygen, this dyad proved to be efficient for sulfide, phosphine, and alkene catalytic oxygenation. Mechanistic investigations gave evidence about a predominant 3O2 activation pathway by the CuI moiety.
Direct Detection of the Superoxide Anion as a Stable Intermediate in the Electroreduction of Oxygen in a Non‐Aqueous Electrolyte Containing Phenol as a Proton Source
Authors: Peng Zhangquan , Chen Yuhui , Bruce Peter G. , Xu Ye 
Published: May 2015

AbstractThe non‐aqueous Li–air (O2) battery has attracted intensive interest because it can potentially store far more energy than today′s batteries. Presently Li–O2 batteries suffer from parasitic reactions owing to impurities, found in almost all non‐aqueous electrolytes. Impurities include residual protons and protic compounds that can react with oxygen species, such as the superoxide (O2−), a reactive, one‐electron reduction product of oxygen. To avoid the parasitic reactions, it is crucial to have a fundamental understanding of the conditions under which reactive oxygen species are generated in non‐aqueous electrolytes. Herein we report an in situ spectroscopic study of oxygen reduction on gold in a dimethyl sulfoxide electrolyte containing phenol as a proton source. It is shown directly that O2−, not HO2, is the first stable intermediate during the oxygen reduction process to hydrogen peroxide. The unusual stability of O2− is explained using density functional theory (DFT) calculations.
Following the Reaction of Heteroanions inside a {W18O56} Polyoxometalate Nanocage by NMR Spectroscopy and Mass Spectrometry
Authors: Zheng Qi , Vilà‐Nadal Laia , Busche Christoph , Mathieson Jennifer S. , Long De‐Liang , Cronin Leroy 
Published: May 2015

AbstractBy incorporating phosphorus(III)‐based anions into a polyoxometalate cage, a new type of tungsten‐based unconventional Dawson‐like cluster, [W18O56(HPIIIO3)2(H2O)2]8−, was isolated, in which the reaction of the two phosphite anions [HPO3]2− within the {W18O56} cage could be followed spectroscopically. As well as full X‐ray crystallographic analysis, we studied the reactivity of the cluster using both solution‐state NMR spectroscopy and mass spectrometry. These techniques show that the cluster undergoes a structural rearrangement in solution whereby the {HPO3} moieties dimerize to form a weakly interacting (O3PH⋅⋅⋅HPO3) moiety. In the crystalline state the cluster exhibits a thermally triggered oxidation of the two PIII template moieties to form PV centers (phosphite to phosphate), commensurate with the transformation of the cage into a Wells–Dawson {W18O54} cluster.
Kohlenstoff‐Nanopunkte: supramolekulare Elektronendonor‐Akzeptor‐Hybride mit Perylendiimiden
Authors: Strauss Volker , Margraf Johannes T. , Dirian Konstantin , Syrgiannis Zois , Prato Maurizio , Wessendorf Cordula , Hirsch Andreas , Clark Timothy , Guldi Dirk M. 
Published: May 2015

AbstractWir beschreiben die Bildung eines Ladungstransferkomplexes mit elektronendonierenden Kohlenstoff‐Nanopunkten (CNDs; carbon nanodots) und Perylendiimiden (PDIs) als Elektronenakzeptoren. Die Funktionalisierung der PDIs wurde so gewählt, dass sie mit den CNDs sowohl elektrostatisch durch gegensätzlich geladene Kopfgruppen als auch durch π‐π‐Stapelung über ausgedehnte π‐Systeme in Wechselwirkung treten können. Der Beitrag der elektrostatischen Wechselwirkungen wurde durch Referenzexperimente bestätigt, in denen weniger starke Wechselwirkungen mit negativ geladenen PDI‐Kopfgruppen gefunden wurden als bei den gleichen PDIs mit positiv geladenen Kopfgruppen. Die elektronischen Wechselwirkungen zwischen den beiden Komponenten wurden im Grundzustand und im angeregten Zustand durch komplementäre Absorptions‐ und Fluoreszenztitrationsexperimente mit Bindungskonstanten in der Größenordnung von 8×104 M−1 (25 L g−1) quantifiziert. Die Untersuchungen wurden durch selektive Anregung der beiden Komponenten in ultraschnellen Pump‐Probe‐Experimenten abgerundet, bei denen ein ladungsgetrennter Zustand mit 210 ps nachgewiesen wurde.
Barium‐Mediated Cross‐Dehydrocoupling of Hydrosilanes with Amines: A Theoretical and Experimental Approach
Authors: Bellini Clément , Carpentier Jean‐François , Tobisch Sven , Sarazin Yann 
Published: May 2015

AbstractAlkaline‐earth (most prominently barium) complexes of the type [Ae{N(SiMe3)2}2⋅(THF)x] and [{N^N}Ae{N(SiMe3)2}⋅(THF)x] are very active and productive precatalysts (TON=396, TOF up to 3600 h−1; Ca<Sr<Ba) for NH/HSi cross‐dehydrocoupling, with excellent chemoselectivity in the reaction of (di)amines with (di)hydrosilanes. Experimental and DFT investigations revealed that the reactions proceed by nucleophilic attack of a metal amide at the incoming silane and subsequent turnover‐limiting hydrogen transfer to the metal center.
Organocatalytic Asymmetric 1,6‐Addition/1,4‐Addition Sequence to 2,4‐Dienals for the Synthesis of Chiral Chromans
Authors: Poulsen Pernille H. , Feu Karla Santos , Paz Bruno Matos , Jensen Frank , Jørgensen Karl Anker 
Published: May 2015

AbstractA novel asymmetric organocatalytic 1,6‐addition/1,4‐addition sequence to 2,4‐dienals is described. Based on a 1,6‐Friedel–Crafts/1,4‐oxa‐Michael cascade, the organocatalyst directs the reaction of hydroxyarenes with a vinylogous iminium‐ion intermediate to give only one out of four possible regioisomers, thus providing optically active chromans in high yields and 94–99 % ee. Furthermore, several transformations are presented, including the formation of an optically active macrocyclic lactam. Finally, the mechanism for the novel reaction is discussed based on computational studies.
Amphiphilic Organic–Inorganic Hybrid Zeotype Aluminosilicate like a Nanoporous Crystallized Langmuir–Blodgett Film
Authors: Ikeda Takuji , Hiyoshi Norihito , Matsuura Shun‐ichi , Kodaira Tetsuya , Nakaoka Takuma , Irisa Ami , Kawano Miki , Yamamoto Katsutoshi 
Published: May 2015

AbstractA new organic–inorganic hybrid zeotype compound with amphiphilic one‐dimensional nanopore and aluminosilicate composition was developed. The framework structure is composed of double aluminosilicate layers and 12‐ring nanopores; a hydrophilic layer pillared by Q2 silicon atom species and a lipophilic layer pillared by phenylene groups are alternately stacked, and 12‐ring nanopores perpendicularly penetrate the layers. The framework topology looks similar to that of an AFI‐type zeolite but possesses a quasi‐multidimensional pore structure consisting of a 12‐ring channel and intersecting small pores equivalent to 8‐rings. The hybrid material with alternately laminated lipophilic and hydrophilic nanospaces can be assumed as a crystallized Langmuir–Blodgett film. It demonstrates microporous adsorption for both hydrophilic and lipophilic adsorptives, and its outer surface tightly adsorbs lysozyme whose molecular size is much larger than its micropore opening. Our results suggest the possibility of designing porous adsorbent with high amphipathicity.
The Organocatalytic Asymmetric Prins Cyclization
Authors: Tsui Gavin Chit , Liu Luping , List Benjamin 
Published: May 2015

AbstractWe describe here the design and development of an organocatalytic Prins cyclization. In the presence of a confined chiral imidodiphosphoric acid catalyst, salicylaldehydes react with 3‐methyl‐3‐buten‐1‐ol to afford highly functionalized 4‐methylenetetrahydropyrans in excellent regio‐ and enantioselectivity. The extreme steric demand of the acid catalyst is key for the success of this transformation.
Multivalent Polymer Nanocomplex Targeting Endosomal Receptor of Immune Cells for Enhanced Antitumor and Systemic Memory Response
Authors: Kim Sun‐Young , Heo Min Beom , Hwang Geum‐Sook , Jung Youngae , Choi Do Yeol , Park Yeong‐Min , Lim Yong Taik 
Published: May 2015

AbstractWe have designed and synthesized linear polymer‐based nanoconjugates and nanocomplexes bearing multivalent immunostimulatory ligands and also demonstrated that the synthetic multivalent nanocomplexes led to an enhanced stimulation of immune cells in vitro and antitumor and systemic immune memory response in vivo. We have developed hyaluronic acid (HA)‐based multivalent nanoconjugates and nanocomplexes for enhanced immunostimulation through the combination of multivalent immune adjuvants with CpG ODNs (as a TLR9 ligand) and cationic poly(L‐lysine) (PLL; for the enhancement of cellular uptake). The multivalent HA‐CpG nanoconjugate efficiently stimulated the antigen‐presenting cells and the multivalent PLL/HA‐CpG nanocomplex also led to an enhanced cellular uptake as well as continuous stimulation of endosomal TLR9. The mice vaccinated with dendritic cells treated with the multivalent nanocomplex exhibited tumor growth inhibition as well as a strong antitumor memory response.
A Versatile Room‐Temperature Route to Di‐ and Trisubstituted Allenes Using Flow‐Generated Diazo Compounds
Authors: Poh Jian‐Siang , Tran Duc N. , Battilocchio Claudio , Hawkins Joel M. , Ley Steven V. 
Published: May 2015

AbstractA copper‐catalyzed coupling reaction between flow‐generated unstabilized diazo compounds and terminal alkynes provides di‐ and trisubstituted allenes. This extremely mild and rapid transformation is highly tolerant of several functional groups.
DNA‐Encoded Dynamic Combinatorial Chemical Libraries
Authors: Reddavide Francesco V. , Lin Weilin , Lehnert Sarah , Zhang Yixin 
Published: May 2015

AbstractDynamic combinatorial chemistry (DCC) explores the thermodynamic equilibrium of reversible reactions. Its application in the discovery of protein binders is largely limited by difficulties in the analysis of complex reaction mixtures. DNA‐encoded chemical library (DECL) technology allows the selection of binders from a mixture of up to billions of different compounds; however, experimental results often show low a signal‐to‐noise ratio and poor correlation between enrichment factor and binding affinity. Herein we describe the design and application of DNA‐encoded dynamic combinatorial chemical libraries (EDCCLs). Our experiments have shown that the EDCCL approach can be used not only to convert monovalent binders into high‐affinity bivalent binders, but also to cause remarkably enhanced enrichment of potent bivalent binders by driving their in situ synthesis. We also demonstrate the application of EDCCLs in DNA‐templated chemical reactions.
Noncovalent Lone Pair⋅⋅⋅(No‐π!)‐Heteroarene Interactions: The Janus‐Faced Hydroxy Group
Authors: Pavlakos Ilias , Arif Tanzeel , Aliev Abil E. , Motherwell William B. , Tizzard Graham J. , Coles Simon J. 
Published: May 2015

AbstractA comparative study using NMR spectroscopy and designed top‐pan molecular balances demonstrates that the noncovalent interaction of a hydroxy group with π‐deficient pyrazine and quinoxaline units involves a lone pair–heteroarene interaction which is much stronger and solvent independent when measured relative to the classical π‐facial hydrogen bond to a benzene ring. Alkyl fluorides also prefer the heteroarene rings over the benzene ring. The attractive interaction between a quinoxaline and a terminal alkyne is also stronger than the intramolecular hydrogen bond to an arene.
New strategy to improve acrylic/casein compatibilization in waterborne hybrid nanoparticles
Authors: Picchio Matías L. , Minari Roque J. , Gonzalez Veronica D. G. , Barandiaran María J. , Gugliotta Luis M. 
Published: May 2015

ABSTRACTThe grafting of casein to acrylic polymers is needed to fully exploit the possibilities of hybrid nanoparticles containing such materials. The explored alternative up to now, based on the primary radical formation onto the protein chains through the redox initiation between the casein amino groups and a hydroperoxide, produces a limited degree of compatibilization to guarantee the synergic effect between both components. A novel strategy that overcomes these limitations is presented. The strategy is based on the use of a crosslinkable casein, which in addition to the characteristic grafting capacity by redox initiation with hydroperoxides, contains acrylic groups able to radically polymerize. The degree of grafting of both acrylic and casein is significantly increased by functionalizing casein with varied amounts of pendant propagating points per protein. Moreover, it is observed that the improved degree of compatibility obtained when using the crosslinkable casein considerably enhanced the properties of the acrylic/casein films, such as their mechanical behavior and resistance to both water and organic solvent. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42421.
Nafion‐115/aromatic poly(etherimide) with isopropylidene groups/imidazole membranes for polymer fuel cells
Authors: Iwan Agnieszka , Malinowski Marek , Sikora Andrzej , Tazbir Igor , Pasciak Grzegorz , Grabiec Eugenia 
Published: May 2015

ABSTRACTProton exchange membrane fuel cells (PEMFCs) with Pt/C gas diffusion electrodes and graphite single‐serpentine monopolar plates were constructed based on an aromatic poly(etherimide) with isopropylidene groups (PI)/imidazole (Im) and a popular Nafion‐115 matrix. The electrochemical properties of PEMFCs were tested at 25 and 60°C. The maximum power density of 171 mW/cm2 and the maximum current density of 484 mA/cm2 were detected for Nafion‐115/PI membrane. For both constructed PEMFCs the efficiency at 0.6 V was found about 41%. Immersion of Nafion‐115 in PI or PI/Im increased the thermal stability and mechanical properties of membranes. Thermal, mechanical properties and morphology of membranes were characterized by TGA, and AFM techniques including force spectroscopy. Interactions between the components in composite membranes were established by FT‐IR. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42436.
PTPN22 Variant R620W Is Associated With Reduced Toll‐like Receptor 7–Induced Type I Interferon in Systemic Lupus Erythematosus
Authors: Wang Yaya , Ewart David , Crabtree Juliet N. , Yamamoto Ami , Baechler Emily C. , Fazeli Parastoo , Peterson Erik J. 
Published: May 2015

ObjectiveProtein tyrosine phosphatase nonreceptor type 22 (PTPN22) is associated with an increased risk of systemic lupus erythematosus (SLE). PTPN22 encodes Lyp, and a disease‐associated coding variant bears an R620W substitution (LypW). LypW carriage is associated with impaired production of type I interferon (IFN) by myeloid cells following Toll‐like receptor (TLR) engagement. The aim of this study was to investigate the effects of LypW carriage on TLR signaling in patients with SLE.MethodsPlasma IFNα concentrations and whole‐blood IFN gene scores were compared in SLE patients who were LypW carriers and those who were noncarriers. TLR‐7 agonist R848–stimulated IFNα and tumor necrosis factor levels, IFN‐dependent gene expression, and STAT‐1 activation were determined in peripheral blood mononuclear cells (PBMCs) and/or plasmacytoid dendritic cells (PDCs) obtained from these patients. The effect of LypW expression on the systemic type I IFN response to R848 stimulation in vivo was assessed in transgenic mice.ResultsPlasma IFNα levels and whole‐blood IFN gene signatures were comparable in SLE patients who were LypW carriers and those who were noncarriers. However, PBMCs from LypW carriers produced less IFNα and showed reduced IFN‐dependent gene up‐regulation and STAT‐1 activation after R848 stimulation. The frequency of PDCs producing IFNα2 and the per‐cell IFNα2 levels were significantly reduced in LypW carriers. LypW‐transgenic mice displayed reduced TLR‐7–induced circulating type I IFN responses.ConclusionPDCs from SLE patients carrying the disease‐associated PTPN22 variant LypW showed a reduced capacity for TLR‐7 agonist–induced type I IFN production, even though LypW carriers displayed systemic type I IFN activation comparable with that observed in noncarriers. LypW carriage identifies SLE patients who may harbor defects in TLR‐ and PDC‐dependent host defense or antiinflammatory functions.