bluuebunny/crossref_metadata_2025_split huggingface dataset:
AMP promotes oxygen consumption and ATP synthesis in heart mitochondria through the adenylate kinase reaction: an NMR spectroscopy and polarography study
Authors: Doliba Nicolai M. , Babsky Andriy M. , Doliba Nataliya M. , Wehrli Suzanne L. , Osbakken Mary D. 
Published: February 2015

Adenylate kinase plays an important role in cellular energy homeostasis by catalysing the interconversion of adenine nucleotides. The goal of present study was to evaluate the contribution of the adenylate kinase reaction to oxidative ATP synthesis by direct measurements of ATP using 31P NMR spectroscopy. Results show that AMP can stimulate ATP synthesis in the presence or absence of ADP. In particular, addition of 1 mM AMP to the 0.6 mM ADP superfusion system of isolated superfused mitochondria (contained and maintained in agarose beads) led to a 25% increase in ATP synthesis as measured by the increase in βATP signal. More importantly, we show that AMP can support ATP synthesis in the absence of ADP, demonstrated as follows. Superfusion of mitochondria without ADP led to the disappearance of ATP γ, α and β signals and the increase of Pi. Addition of AMP to the medium restored the production of ATP, as demonstrated by the reappearance of γ, α and β ATP signals, in conjunction with a decrease in Pi, which is being used for ATP synthesis. Polarographic studies showed Mg2+ dependence of this process, confirming the specificity of the adenylate kinase reaction. Furthermore, data obtained from this study demonstrate, for the first time, that different aspects of the adenylate kinase reaction can be evaluated with 31P NMR spectroscopy. Copyright © 2015 John Wiley & Sons, Ltd.SIGNIFICANCE OF RESEARCH PARAGRAPHThe data generated in the present study indicate that 31P NMR spectroscopy can effectively be used to study the adenylate kinase reaction under a variety of conditions. This is important because understanding of adenylate kinase function and/or malfunction is essential to understanding its role in health and disease. The data obtained with 31P NMR were confirmed by polarographic studies, which further strengthens the robustness of the NMR findings. In summary, 31P NMR spectroscopy provides a sensitive tool to study adenylate kinase activity in different physiological and pathophysiological conditions, including but not exclusive of, cancer, ischemic injury, hemolytic anemia and neurological problems such as sensorineural deafness.
Structure, Activity, and Deactivation Mechanisms in Double Metal Cyanide Catalysts for the Production of Polyols
Authors: Almora‐Barrios Neyvis , Pogodin Sergey , Bellarosa Luca , García‐Melchor Max , Revilla‐López Guillem , García‐Ratés Miquel , Vázquez‐García Ana Belén , Hernández‐Ariznavarreta Pedro , López Núria 
Published: February 2015

AbstractPolyether polyols are used widely in the plastic and coating industries in the form of polyurethanes. The polymerization of epoxides can be catalyzed by double metal cyanides (DMCs), Zn3[Co(CN)6]2. These catalysts were first reported in the 1960s by General Tire Inc. and provide products with excellent technical features, which are better than those that result from traditional alkaline polymerization as side reactions are alleviated. However, DMC‐catalyzed polymerization is not free of drawbacks as high‐molecular‐weight side products (1–3 wt %) can form in the propylene process. These tails are detrimental to the subsequent use of these polymers, in particular to foam stability. Despite the wide industrial interest in DMCs, there are only a few experimental studies and a complete lack of theoretical research of their structure, activity, and performance. The present work is thus the first attempt to describe the nature of the active site, the main polymerization mechanism, and two potential origins for the high‐weight tails from a theoretical standpoint by analyzing three crucial steps in the polymerization process.
Iron(II) Pincer‐Catalyzed Synthesis of Lactones and Lactams through a Versatile Dehydrogenative Domino Sequence
Authors: Peña‐López Miguel , Neumann Helfried , Beller Matthias 
Published: February 2015

AbstractThe synthesis of lactones and lactams by using iron(II) pincer‐catalyzed dehydrogenative methodology was developed. Starting from 1,n‐diols or 1,n‐amino alcohols, this domino transformation takes place through initial dehydrogenation of the substrates, subsequent intramolecular cyclization, and final oxidation to afford the desired products in good yields. The ability to access heterocycles of different sizes makes this protocol especially versatile, in which two consecutive oxidation reactions are performed without requiring an external oxidant. In this paper, we report the application of the Fe‐MACHO‐BH complex [carbonylhydrido(tetrahydroborato)[bis(2‐diisopropylphosphinoethyl)amino]iron(II)] in this atom‐efficient and environmentally benign process, for which molecular hydrogen is formed as the only stoichiometric side product.
In Situ Electrochemical Generation of Hydrogen Peroxide in Alkaline Aqueous Solution by using an Unmodified Gas Diffusion Electrode
Authors: Barros Willyam R. P. , Ereno Thaís , Tavares Ana C. , Lanza Marcos R. V. 
Published: February 2015

AbstractHydrogen peroxide (H2O2) is an oxidizing agent commonly used for various applications and is available in aqueous solution in a wide range of concentrations. This work describes the H2O2 electrogeneration process in alkaline medium (KOH 1.0 mol L−1), using an unmodified gas diffusion electrode (GDE) manufactured with Printex 6L carbon. The experiments were performed in a single‐compartment electrochemical cell equipped with a GDE as the working electrode, which was fed with N2 or O2 at a pressure of 0.2 bar. Electrolysis experiments were performed at a constant potential (−0.5≤E≤−1.4 V) for 90 min. The H2O2 concentration reached a maximum value of 3370 mg L−1 at −1.1 V (vs. Ag/AgCl), and H2O2 electrogeneration followed pseudo‐zero‐order kinetics with an apparent rate constant kapp=59.7 mg L−1 min−1. A low energy consumption of 8.0 kWh kg−1 was calculated for these electrogeneration conditions.
Matrix‐Free DNP‐Enhanced NMR Spectroscopy of Liposomes Using a Lipid‐Anchored Biradical
Authors: Fernández‐de‐Alba Carlos , Takahashi Hiroki , Richard Alexandre , Chenavier Yves , Dubois Lionel , Maurel Vincent , Lee Daniel , Hediger Sabine , De Paëpe Gaël 
Published: February 2015

AbstractMagic‐angle spinning dynamic nuclear polarization (MAS‐DNP) has been proven to be a powerful technique to enhance the sensitivity of solid‐state NMR (SSNMR) in a wide range of systems. Here, we show that DNP can be used to polarize lipids using a lipid‐anchored polarizing agent. More specifically, we introduce a C16‐functionalized biradical, which allows localization of the polarizing agents in the lipid bilayer and DNP experiments to be performed in the absence of excess cryo‐protectant molecules (glycerol, dimethyl sulfoxide, etc.). This constitutes another original example of the matrix‐free DNP approach that we recently introduced.
Synthesis of Four Diastereomers of Sclerophytin F and Structural Reassignment of Several Sclerophytin Natural Products
Authors: Clark J. Stephen , Delion Laëtitia , Farrugia Louis J. 
Published: February 2015

AbstractSynthesis of the triol that has been proposed to be the marine natural product sclerophytin F has been completed along with the syntheses of three diastereomers. Comparison of the NMR spectroscopic data for all four compounds to the data reported for the natural product reveals that sclerophytin F is not the 3S diastereomer of sclerophytin A as proposed by Friedrich and Paquette. Re‐analysis of the NMR spectroscopic data for known sclerophytin natural products and synthetic analogues leads to the conclusion that sclerophytins E and F are the same compound. This finding has allowed structural reassignment of several other cladiellin natural products.
Azobenzene‐Functionalized Cage Silsesquioxanes as Inorganic–Organic Hybrid, Photoresponsive, Nanoscale, Building Blocks
Authors: Liu Yun , Yang Wenyan , Liu Hongzhi 
Published: February 2015

AbstractMono‐ and octa‐azobenzene‐functionalized cage silsesquioxanes were easily synthesized by the reaction of 4‐bromoazobenzene with monovinyl‐substituted octasilsesquioxane and cubic octavinylsilsesquioxane through the Heck coupling reaction. Excited‐state energies obtained from time‐dependent density functional theory (TDDFT) and the CAM‐B3LYP functional correlate very well with experimental trans–cis photoisomerization results from UV/Vis spectroscopy. These azobenzene‐functionalized cages exhibit good thermal stability and are fluorescent with maximum emission at approximately 400 nm, making them potential materials for blue‐light emission.
Pd‐Catalyzed Csp2H Functionalization of Heteroarenes via Isocyanide Insertion: Concise Synthesis of Di‐(Hetero)Aryl Ketones and Di‐(Hetero)Aryl Alkylamines
Authors: Sharma Upendra K. , Sharma Nandini , Xu Jun , Song Gonghua , Van der Eycken Erik V. 
Published: February 2015

AbstractWe report herein an efficient Pd‐catalyzed direct CH bond functionalization of heteroarenes via an isocyanide insertion strategy for the synthesis of di‐(hetero)aryl ketones and di‐(hetero)aryl alkylamines. The methodology involves a three component reaction between an azole, a haloarene and an isocyanide resulting in the formation of an imine, which in turn is either hydrolyzed or reduced to get the desired product.
Iridium‐Catalyzed Hydrogen Production from Monosaccharides, Disaccharide, Cellulose, and Lignocellulose
Authors: Li Yang , Sponholz Peter , Nielsen Martin , Junge Henrik , Beller Matthias 
Published: February 2015

AbstractHydrogen constitutes an important feedstock for clean‐energy technologies as well as for production of bulk and fine chemicals. Hence, the development of novel processes to convert easily available biomass into H2 is of general interest. Herein, we demonstrate a one‐pot protocol hydrogen generation from monosaccharides, disaccharide, and extremely demanding cellulose and lignocellulose substrates by using a pincer‐type iridium catalyst. Applying ppm amounts of this catalyst, hydrogen is produced at temperatures lower than 120 °C. More specifically, catalyst turnover numbers (TONs) for lignocellulose from bamboo reached up to about 3000. Interestingly, even (used) cigarette filters, which are composed of cellulose acetate, produce hydrogen under optimized conditions.
Lack of association of apolipoprotein E (Apo E) polymorphism with the prevalence of metabolic syndrome: the National Heart, Lung and Blood Institute Family Heart Study
Authors: Lai Lana Y. H. , Petrone Andrew B. , Pankow James S. , Arnett Donna K. , North Kari E. , Ellison R. Curtis , Hunt Steven C. , Rosenzweig James L. , Djoussé Luc 
Published: February 2015

AbstractObjectiveMetabolic syndrome (MetS), characterized by abdominal obesity, atherogenic dyslipidaemia, elevated blood pressure and insulin resistance, is a major public health concern in the United States. The effects of apolipoprotein E (Apo E) polymorphism on MetS are not well established.MethodsWe conducted a cross‐sectional study consisting of 1551 participants from the National Heart, Lung and Blood Institute Family Heart Study to assess the relation of Apo E polymorphism with the prevalence of MetS. MetS was defined according to the American Heart Association–National Heart, Lung and Blood Institute–International Diabetes Federation–World Health Organization harmonized criteria. We used generalized estimating equations to estimate adjusted odds ratios (ORs) for prevalent MetS and the Bonferroni correction to account for multiple testing in the secondary analysis.ResultsOur study population had a mean age (standard deviation) of 56.5 (11.0) years, and 49.7% had MetS. There was no association between the Apo E genotypes and the MetS. The multivariable adjusted ORs (95% confidence interval) were 1.00 (reference), 1.26 (0.31–5.21), 0.89 (0.62–1.29), 1.13 (0.61–2.10), 1.13 (0.88–1.47) and 1.87 (0.91–3.85) for the Ɛ3/Ɛ3, Ɛ2/Ɛ2, Ɛ2/Ɛ3, Ɛ2/Ɛ4, Ɛ3/Ɛ4 and Ɛ4/Ɛ4 genotypes, respectively. In a secondary analysis, Ɛ2/Ɛ3 genotype was associated with 41% lower prevalence odds of low high‐density lipoprotein [multivariable adjusted ORs (95% confidence interval) = 0.59 (0.36–0.95)] compared with Ɛ3/Ɛ3 genotype.ConclusionsOur findings do not support an association between Apo E polymorphism and MetS in a multicentre population‐based study of predominantly White US men and women. Copyright © 2015 John Wiley & Sons, Ltd.
Spatial distributions of small water body types in modified landscapes: lessons from Indiana, USA
Authors: Christensen Jay , Nash Maliha , Chaloud Deborah , Pitchford Ann 
Published: February 2015

AbstractBecause of their large numbers and biogeochemical activity, small water bodies (SWB), such as ponds and wetlands, can have substantial cumulative effects on hydrologic, biogeochemical and biological processes, yet the spatial distributions of various SWB types are often unknown, especially in modified landscapes. Using updated National Wetland Inventory data, we compare the spatial distribution of SWB types across various ecoregions and land covers within the state of Indiana. Of 203 942 total SWB, 75% contain a permanent water feature and 80% of those SWB are classified as excavated or impounded ponds. Both underlying geology and human modifications influence SWB distributions. Wetlands are most prevalent in the agricultural Drift Plain and are larger with a greater range of sizes than man‐made open water features. Small impoundment ponds dominate the southern forested region of the Interior Plateau. Analysis of variance of slopes from power law distributions confirms differences between SWB distributions in the Drift Plain and the Interior Plateau as well as differences between forested wetlands and diked and excavated open waters across ecoregions. SWB densities are lowest in the Corn Belt regions and in agriculture overall. SWB in urban lands tend to have higher median area than natural or agricultural lands and have intermediate densities. This analysis highlights the presence of hydrological modifications in SWB distributions, namely the potential legacy of wetland removal and pond creation practices in the state. Determining these modified distributions and patterns is the first step in understanding cumulative SWB influences on various ecological processes in modified landscapes. Copyright © 2015 John Wiley & Sons, Ltd.
Sex differences in clinical characteristics and outcomes after myocardial infarction: insights from the Valsartan in Acute Myocardial Infarction Trial (VALIANT)
Authors: Lam Carolyn S. P. , McEntegart Margaret , Claggett Brian , Liu Jiankang , Skali Hicham , Lewis Eldrin , Køber Lars , Rouleau Jean , Velazquez Eric , Califf Rob , McMurray John J. , Pfeffer Marc , Solomon Scott 
Published: February 2015

BackgroundWe examined the association of sex with clinical characteristics and outcomes in patients following myocardial infarction (MI) in the Valsartan in Acute Myocardial Infarction Trial (VALIANT).Methods and ResultsA total of 4570 women and 10 133 men with heart failure (HF), left ventricular systolic dysfunction or both were enrolled 0.5–10 days after myocardial infarction (MI) and followed for a median of 24.7 months. Compared with men, women were older, had more comorbidities, and were more likely to present in Killip Class III/IV and experience post‐infarction angina or HF. After adjusting for baseline differences, both short‐term and longer‐term mortality were similar in men and women. However, women were more likely than men to experience the composite outcome of cardiovascular death, MI, HF, stroke, and resuscitation from cardiac arrest [adjusted hazard ratio (HR) 1.15; 95% confidence interval (CI); 1.06–1.24, P = 0.001], mainly owing to an increased risk of hospitalization for HF (adjusted HR 1.36; 95% CI 1.22–1.52; P < 0.001). In a subset of patients who underwent echocardiographic study (n = 603), women had smaller left ventricular volumes indexed by body size than men but similar ejection fractions and similar changes in ventricular volumes from baseline to 1 month and 20 months.ConclusionsIn VALIANT, the risk of HF following MI was higher in women than men after adjusting for age and comorbidities, although the risk of other fatal and non‐fatal outcomes were similar. The higher long‐term risk of HF in women appears to be independent of the extent of left ventricular systolic dysfunction or remodelling compared with men.
Synthetic Strategies for Variably Substituted Ruthenium–Imidazophenanthrolinium Complexes
Authors: Petermann Lydia , Staehle Robert , Pilz T. David , Sorsche Dieter , Görls Helmar , Rau Sven 
Published: February 2015

AbstractInvited for the cover of this issue is the group of Sven Rau at Ulm University, Germany. The cover image shows that changing the substituents on a photocatalyst without influencing its photophysical properties is possible.
Probabilistic demand and fragility assessment of welded column splices in steel moment frames
Authors: Galasso Carmine , Stillmaker Kimberly , Eltit Christian , Kanvinde Amit 
Published: February 2015

SummaryAn assessment of seismic demands and capacities of welded column splice (WCS) connections in steel moment frames is presented. For demand assessment, nonlinear dynamic analyses are conducted for two case‐study buildings, that is, a 4‐story and a 20‐story moment frame. Results from the nonlinear dynamic analyses are assessed through a probabilistic seismic demand analysis (PSDA) framework to characterize recurrence rates of longitudinal flange stress in these connections. The PSDA is applied in two contexts. First, in the context of WCS connections constructed prior to the M 6.7 1994 Northridge earthquake, the PSDA is combined with sophisticated finite element‐based fracture mechanics analysis to compute the mean annual frequencies of fracture in these connections. The pre‐Northridge WCS are especially critical because they feature partial joint penetration and brittle materials that compromise their resistance to fracture. The analysis indicates that the mean annual frequencies of fracture in these connections may be unacceptably high for both the 4‐story and the 20‐story frames. This warrants a serious and urgent consideration of retrofit strategies. These findings are attributed to the brittleness of the pre‐Northridge splices (as indicated by the fracture mechanics simulations), as well as the force‐controlled nature of these components, wherein low‐intensity ground motions contribute disproportionately to fracture risk, as evidenced by fracture risk disaggregation. Second, in the context of new construction, the PSDA provides meaningful stress magnitudes for design. Currently, WCS connections employ complete joint penetration welds with the intent to develop the smaller column flange in yielding. The PSDA conducted in this study suggests that this requirement may be too stringent because stress demands in the splices corresponding even to high return periods (e.g., 2475 years) are significantly lower (~40 ksi), as compared with the stress required to yield the column (~55 ksi). Limitations of the study are outlined. Copyright © 2015 John Wiley & Sons, Ltd.
Energy efficient inactivation of Saccharomyces cerevisiae via controlled hydrodynamic cavitation
Authors: Albanese Lorenzo , Ciriminna Rosaria , Meneguzzo Francesco , Pagliaro Mario 
Published: February 2015

AbstractWe investigate hydrodynamic cavitation to inactivate commonly employed Saccharomyces cerevisiae yeast strains in an aqueous solution using different reactors and hydraulic circuit selected to demonstrate the process feasibility on the industrial scale. The target to achieve an useful lethality of the yeast at lower temperature when compared with standard thermal and even with other cavitation processes was achieved, with 90% yeast strains lethality at lower temperature (6.3–9.5°C), and about 20% lower energy input. A separate model simulating the combined thermal and cavitational effects on yeast lethality allows to accommodate the data into a comprehensive framework providing a tool to design further targeted experiments and to predict results when changing the process parameters.
Effect of sodium alginate coating enriched with horsemint (Mentha longifolia) essential oil on the quality of bighead carp fillets during storage at 4°C
Authors: Heydari Ramin , Bavandi Shahmir , Javadian Seyed Roholla 
Published: February 2015

AbstractEffect of sodium alginate coating enriched with horsemint essential oil (HEO) on the quality of bighead carp (Aristichthys nobilis) fillets at refrigeration temperature (4 ± 1°C) was studied. Bighead carp fillets were coated with neat sodium alginate (SA) and sodium alginate containing 0.5 and 1% v/v of HEO and their quality changes in terms of total volatile basic nitrogen (TVB‐N), peroxide value (PV), thiobarbituric acid (TBA), and microbial counts were investigated. SA coating enriched with the essential oil could reduce the spoilage of the fillets and extend their shelf‐life. Samples treated with SA‐containing HEO showed significantly (P < 0.05) lower TVB‐N content and lipid oxidation, as reflected by lower PV, FFA and TBA values during the storage period compared with the SA and control. The treatment also reduced the degree of microbial deterioration of the fillets (about 1.5 log10 CFU/g) more efficiently than the SA.
Risk and protective factors associated with intentional self‐harm among older community‐residing home care clients in Ontario, Canada
Authors: Neufeld Eva , Hirdes John P. , Perlman Christopher M. , Rabinowitz Terry 
Published: February 2015

ObjectiveWe aim to concurrently examine risk and protective factors associated with intentional self‐harm among community‐residing older adults receiving home care services in Ontario, Canada.MethodsAdministrative health data from the home care sector were linked to hospital administrative data to carry out the analyses. Home care data are collected in Ontario using the Resident Assessment Instrument—Home Care (RAI‐HC), an assessment tool that identifies strengths, preferences and needs of long‐stay home care clients. The sample included Ontario home care clients aged 60 years or older assessed with the RAI‐HC between 2007 and 2010 (N = 222,149). Multivariable analyses were performed using SAS.ResultsHospital records of intentional self‐harm (ISH) were present in 9.3 cases per 1000 home care clients. Risks of ISH included younger age (60–74 years; OR = 3.14, CI: 2.75–3.59), psychiatric diagnosis (OR = 2.29, CI: 2.06–2.54), alcohol use and dependence (OR = 1.69, CI: 1.34–2.14), psychotropic medication (OR = 1.94, CI: 1.75–2.15) and depressive symptoms (OR = 1.58, CI: 1.40–1.78). Protective effects were found for marital status and positive social relationships, yet these effects were more pronounced for men. Cognitive performance measures showed the odds of ISH 1.86 times higher for older adults with moderate to severe cognitive impairment.ConclusionsThis study based on provincial data points to tangible areas for preventative assessment by frontline home care professionals. Of interest were the risk and protective factors that differed by sex. As demand for home care in Canada is expected to increase, these findings may inform home care professionals' appraisal and approach to suicide prevention among community‐residing older adults. Copyright © 2015 John Wiley & Sons, Ltd.