bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photoxidation of Benzyl Alcohol with Heterogeneous Photocatalysts in the UV Range: The Complex Interplay with the Autoxidative Reaction
Authors: Pavan Mariela J. , Fridman Helena , Segalovich Gal , Shames Alexander I. , Lemcoff N. Gabriel , Mokari Taleb 
Published: April 2018

AbstractIn conventional studies of heterogeneous photocatalytic oxidation, it is crucial to evaluate by means of control experiments the relevance of the “non‐catalyzed” autoxidation reaction under irradiation. If the autoxidation is found to be negligible, it is usually considered that it can be safely disregarded. However, in the case of aromatic aldehydes’ synthesis such as benzaldehyde, irradiating with UV light may lead to a more complex mechanism than previously thought. Herein, we prove that neglecting the autoxidative reaction can lead to a misinterpretation of the mechanism as well as an overestimation of the catalyst's efficiency, even if the control experiment exhibits zero yield. As an example, we studied the synthesis of benzaldehyde from benzyl alcohol by UV‐A irradiation with and without TiO2 and CdS nanoparticles; without catalyst, after a long induction time, the aldehyde enhances its own production through an autocatalytic reaction activated by the same light wavelengths utilized for the nanocatalysts. The long induction time leads to considering the autocatalysis to be deceptively negligible. However, the nanoparticles act as a fast initiator of the benzaldehyde autocatalysis, in such a way that the oxidation rate reached a similar performance with nanoparticles and after removing them. This suggests that the commonly ignored autocatalysis of benzaldehyde indeed is a relevant parallel pathway to the heterogeneous catalysis mechanism.
Electrodeposition of Cobalt Phosphosulfide Nanosheets on Carbon Fiber Paper as Efficient Electrocatalyst for Oxygen Evolution
Authors: Liu Zhenchuan , Zhang Junfeng , Liu Yangxing , Zhu Weikang , Zhang Xiangwen , Wang Qingfa 
Published: April 2018

AbstractTo maximize the activity and durability of transition metal sulfides for water oxidation is still a great challenge. Herein, we developed a new cobalt phosphosulfide nanosheet on carbon fiber paper (CFP) substrate electrocatalyst (Co2−xSP/CFP) following a simple two‐step electrodeposition method. The cobalt sulfide nanosheets were first deposited onto CFP by cyclic voltammetry. Then, the surface structure and P/S ratio as well as the Co3+/Co2+ ratio of the phosphosulfide nanosheets were well tuned by regulating the cycling numbers of the phosphorous electrodeposition. Benefiting from the hierarchical structure, distinct phosphosulfide species, as well as a high Co3+ content derived from partial S substitution with P and nonstoichiometric phase, the as‐synthesized Co2−xSP/CFP exhibits remarkable activity with an overpotential of 279 mV at a current density of 10 mA cm−2, a low Tafel slope of 54 mV dec−1 and excellent long‐term stability towards OER (overpotential increase of only 4.7 % within 60 h). Structural analysis after stability test indicates that cobalt oxide/hydroxide species are formed on the surface, which contribute to the high performance and excellent durability for oxygen evolution. This provides a simple and facile approach to rationally design and synthesize transition metal phosphosulfides for advanced electrochemical application.
In Situ Synthesis of Mn3O4 Nanoparticles on Hollow Carbon Nanofiber as High‐Performance Lithium‐Ion Battery Anode
Authors: Zhang Dan , Li Guangshe , Fan Jianming , Li Baoyun , Li Liping 
Published: April 2018

AbstractThe practical applications of Mn3O4 in lithium‐ion batteries are greatly hindered by fast capacity decay and poor rate performance as a result of significant volume changes and low electrical conductivity. It is believed that the synthesis of nanoscale Mn3O4 combined with carbonaceous matrix will lead to a better electrochemical performance. Herein, a convenient route for the synthesis of Mn3O4 nanoparticles grown in situ on hollow carbon nanofiber (denoted as HCF/Mn3O4) is reported. The small size of Mn3O4 particles combined with HCF can significantly alleviate volume changes and electrical conductivity; the strong chemical interactions between HCF and Mn3O4 would improve the reversibility of the conversion reaction for MnO into Mn3O4 and accelerate charge transfer. These features endow the HCF/Mn3O4 composite with superior cycling stability and rate performance if used as the anode for lithium‐ion batteries. The composite delivers a high discharge capacity of 835 mA h g−1 after 100 cycles at 200 mA g−1, and 652 mA h g−1 after 240 cycles at 1000 mA g−1. Even at 2000 mA g−1, it still shows a high capacity of 528 mA h g−1. The facile synthetic method and outstanding electrochemical performance of the as‐prepared HCF/Mn3O4 composite make it a promising candidate for a potential anode material for lithium‐ion batteries.
Emerging Applications of Bioinspired Slippery Surfaces in Biomedical Fields
Authors: He Wenqing , Liu Peng , Zhang Jianqiang , Yao Xi 
Published: April 2018

AbstractIn this minireview, we summarize the recent development of liquid‐infused slippery surfaces (LISS) for biomedical applications. The selected topics are divided into two parts: the material designs and emerging strategies to fabricate slippery surface, and their applications with strong and direct relevance to biomedical areas including antibiofouling, antithrombosis, medical device coatings and surface enhanced/assisted detection. We also describe the most critical directions in need of development to adapt this new approach to biomedical use.
Char quality response surfaces from torrefaction of coppiced willow in a horizontal moving bed pilot plant
Authors: Campbell William A. , Woytiuk Kurt , Gerspacher Regan , Coller Amy , Evitts Richard W. 
Published: April 2018

AbstractCharacterizing the operation of a novel torrefaction plant based on horizontal moving bed reactors was the focus of this research work. Coppiced willow biomass was used as the feedstock for the torrefaction experiments carried out with this plant. The operating temperature and torrefaction residence time were each varied over a wide range in order to understand how these two parameters each influence torrefaction severity. The torrefaction severity was characterized by developing response surface plots for torrefaction metrics, including mass yield, energy yield, milling energy, and elemental composition.The operating conditions were varied from 220–280 °C with an 8–24 min residence time. The coppiced willow biomass was processed into a granular form, resulting in an average length and diameter of 19.3 and 7.5 mm, respectively. The operating conditions were found to produce a wide range of torrefaction severities with a mass yield range from 64.7–91.6 %. Temperature was found to have a greater influence over severity than exposure time. In order to understand the uncertainty of the measurements, experiments were repeated at a central point (250 °C and 16 min) six times. The repeatability was found to be ±0.72 % at the 95 % confidence limit. The response surfaces for mass and energy yield indicate that, for this feedstock, torrefaction severity below 80 % mass yield can be achieved in under 10 min at temperatures of 255 °C and above. This performance compares very favourably with other continuously fed pilot scale torrefaction plants.
Biomass‐gas‐and‐nuclear‐to‐liquids (BGNTL) processes part I: Model development and simulation
Authors: Scott J. Alexander , Adams Thomas A. 
Published: April 2018

AbstractNew polygeneration processes for the co‐production of liquid fuels (Fischer‐Tropsch liquids, methanol, and dimethyl ether) and electricity are presented. The processes use a combination of biomass, natural gas, and nuclear energy as primary energy feeds. Chemical process models were created and used to simulate candidate versions of the process, using combinations of models ranging from complex multi‐scale models to standard process flowsheet models. The simulation results are presented for an Ontario, Canada case study to obtain key metrics such as efficiency and product conversions. Sample Aspen Plus files are provided in the supplementary material to be used by others.
Physically crosslinked KOH impregnated polyvinyl alcohol based alkaline membrane for direct methanol fuel cell
Authors: Gupta Uday Kumar , Pramanik Hiralal 
Published: April 2018

AbstractA polyvinyl alcohol (PVA) based alkaline membrane was developed in the laboratory for use in direct methanol fuel cell (DMFC). This study investigates the performance of the alkaline PVA membrane, crosslinked by a physical crosslinking method. The membrane was characterized using water uptake, KOH uptake, ion exchange capacity, and ionic conductivity methods. The anode and cathode electrocatalysts were Pt‐Ru (30:15 % by wt)/carbon black (C) and Pt (40 % by wt)/high surface area carbon (CHSA), respectively. A similar electrocatalyst loading in the order of 1 mg/cm2 was used at the anode and cathode. The cell voltage and current density data were recorded for different concentrations of fuel (methanol) and electrolyte (KOH). The optimum conditions for the fuel cell were 2 M methanol mixed in 3 M KOH solution at a flow rate of 2 mL/min with a cathode feed of humidified oxygen at a flow rate of 100 mL/min. The DMFC was operated at 30 °C, irrespective of other operating conditions. The maximum open circuit voltage of 0.6 V, current density of 7.71 mA/cm2 at a cell voltage of 0.23 V, and maximum power density of 1.79 mW/cm2 were obtained at the optimum cell condition. The KOH‐doped PVA solid electrolyte was successfully tested in a direct methanol fuel cell, which results in excellent power density. Single cell test results prove that the physically crosslinked KOH‐doped PVA electrolyte could be used as a suitable solid electrolyte in a fuel cell.
Synthesis, Structure and Biological Activities of Novel 2‐(Trifluoromethyl)‐ 6‐arylimidazo[2,1‐b][1,3,4]‐thiadiazole (bis‐)Mannich Base Derivatives Containing Substitutedpiperazine Moiety
Authors: Zhang Yan , Li Zhengming , Song Haibin , Wang Baolei 
Published: April 2018

AbstractA convenient and practicable method for the synthesis of the novel 2‐(trifluoromethyl)‐6‐arylimidazo[2,1‐b][1,3,4]‐thiadiazole (bis‐)Mannich base derivatives containing various substitutedpiperazine motif has been developed based on the fused‐heterocycle intermediate. The new structures were identified through melting points,1H NMR,13C NMR,19F NMR, elemental analysis (or HRMS) and X‐ray single‐crystal diffraction. The pesticidal bioassays showed that some of compounds exhibited good fungicidal activities againstCercospora arachidicola,Physalospora piricolaandRhizoctonia cerealiat 50 mg/L; some of them displayed favourable insecticidal activities against oriental armyworm (Mythimna separataWalker) at 200 mg/L, particularly,VkandVmwith mortality rate of 75% and 80% respectively, could be considered as new insecticidal lead compounds for further structural optimization.
Etiologies and predictors of 30‐day readmissions in patients undergoing percutaneous mechanical circulatory support–assisted percutaneous coronary intervention in the United States: Insights from the Nationwide Readmissions Database
Authors: Bavishi Chirag , Lemor Alejandro , Trivedi Vrinda , Chatterjee Saurav , Moreno Pedro , Lasala John , Aronow Herbert D. , Dawn Abbott J. 
Published: April 2018

BackgroundPatients undergoing percutaneous mechanical circulatory support (pMCS)‐assisted percutaneous coronary intervention (PCI) represent a high‐risk group vulnerable to complications and readmissions.HypothesisThirty‐day readmissions after pMCS‐assisted PCI are common among patients with comorbidities and account for a significant amount of healthcare spending.MethodsPatients undergoing PCI and pMCS (Impella, TandemHeart, or intra‐aortic balloon pump) for any indication between January 1, 2012, and November 30, 2014, were selected from the Nationwide Readmissions Database. Patients were identified using appropriate ICD‐9‐CM codes. Clinical risk factors and complications were analyzed for association with 30‐day readmission.ResultsOur analysis included 29 247 patients, of which 4535 (15.5%) were readmitted within 30 days. On multivariate analysis, age ≥ 65 years, female sex, hypertension, diabetes, chronic lung disease, heart failure, prior implantable cardioverter‐defibrillator, liver disease, end‐stage renal disease, and length of stay ≥5 days during index hospitalization were independent predictors of 30‐day readmission. Cardiac etiologies accounted for ~60% of readmissions, of which systolic or diastolic heart failure (22%), stable coronary artery disease (11.1%), acute coronary syndromes (8.9%), and nonspecific chest pain (4.0%) were the most common causes. In noncardiac causes, sepsis/septic shock (4.6%), hypotension/syncope (3.2%), gastrointestinal bleed (3.1%), and acute kidney injury (2.6%) were among the most common causes of 30‐day readmissions. Mean length of stay and cost of readmissions was 4 days and $16 191, respectively.ConclusionsThirty‐day readmissions after pMCS‐assisted PCI are common and are predominantly associated with increased burden of comorbidities. Reducing readmissions for common cardiac etiologies could save substantial healthcare costs.
Atrial fibrillation patient preferences for oral anticoagulation and stroke knowledge: Results of a conjoint analysis
Authors: Lane Deirdre A. , Meyerhoff Juliane , Rohner Ute , Lip Gregory Y. H. 
Published: April 2018

BackgroundGuidelines recommend that patients with atrial fibrillation (AF) are involved in oral anticoagulant (OAC) treatment decisions. Understanding which OAC attributes AF patients value most could help optimize treatment.ObjectiveTo assess the relationship between patient's stroke knowledge and their preferences for specific OAC attributes.MethodsA cross‐sectional online survey was conducted in patients with nonvalvular AF taking an OAC for stroke prevention in the United States, Canada, Germany, France, and Japan. Patients were asked about their stroke knowledge, perception of the seriousness of AF and concern about stroke, and to rank 7 OAC attributes in order of importance. A conjoint analysis was performed to determine the inherent value of 4 attributes.ResultsIn total, 937 patients (mean age [standard deviation] 54.3 [16.6] years; 37.1% female) participated. Of these, 19.5%, 27.9%, and 29.8% had good, moderate, and low stroke knowledge, respectively; 22.8% had no stroke knowledge. Overall, 39.4% of patients (47.5% with good stroke knowledge) perceived AF as very/extremely serious. The OAC attribute ranked as most important was stroke prevention followed by major bleeding risk, other side effects, dosing frequency, antidote availability, dietary restrictions, and use with/without food. In the conjoint analysis, stroke risk reduction was the most valued property, followed by reduction in major bleeding risk, less frequent administration, and administration with/without food. Preferences did not differ with level of stroke knowledge, perception of seriousness of AF, concern of stroke, or medication burden.ConclusionsMost AF patients consider efficacy and safety to be the most important OAC attributes, whereas dosing frequency was deemed as less important.
Oxoisoaporphine Alkaloids: Prospective Anti‐Alzheimer's Disease, Anticancer, and Antidepressant Agents
Authors: Zhang Jiayao , Chen Li , Sun Jianbo 
Published: April 2018

AbstractOxoisoaporphine alkaloids are a family of oxoisoquinoline‐derived alkaloids that were first isolated from the rhizome ofMenispermum dauricumDC. (Menispermaceae). It has been demonstrated that oxoisoaporphine alkaloids possess various biological properties, such as cholinesterase and β‐amyloid inhibition, acting as a topoisomerase intercalator, monoamine oxidase A inhibition, and are expected to become anti‐Alzheimer's disease, anticancer, and antidepressant drugs. This review provides an overview of natural sources, synthetic routes, bioactivities, structure–function relationship, and modification investigations into oxoisoaporphine alkaloids, with the aim of providing references to the structure–activity relationships for the design and development of oxoisoaporphine derivatives with higher efficacy and therapeutic potential.
Using Sugar‐based Additives to Prolong the Lifetime of Air‐Stable Radicals in Self‐Assembled Perylene Bisimides
Authors: Lāce Ilze , Sproules Stephen , Draper Emily R. 
Published: April 2018

AbstractSugar‐based additives were introduced into self‐assembled worm‐like micelles of amino acid functionalized perylene bisimides. The solutions were then dried to form thin films and used as photoresponsive materials. The effects of the addition of dextran and sucrose on the properties of the perylene bisimide thin film were investigated using cross‐polarized light optical microscopy, electron paramagnetic resonance (EPR) spectroscopy, rheology, UV‐vis absorption spectroscopy and electrochemistry. The radical anion is stabilized by the presence of the additives in solution and in the thin films, resulting in a significantly increased lifetimes and persistent conductivity.
[Au12(SR)6]2−, As Smaller 8‐Electron Gold Nanocluster Retaining an SP3‐Core. Evaluation of Bonding and Optical Properties from Relativistic DFT Calculations
Authors: Muñoz‐Castro Alvaro , Saillard Jean‐Yves 
Published: April 2018

AbstractExploring the versatility of atomically precise clusters is a relevant issue in the design of functional nanostructures. Superatomic clusters offer an ideal framework to gain further understanding of the different distinctive size‐dependent physical and chemical properties. Here, we propose [Au12(SR)6]2− as a minimal 8‐electron superatom related to the prototypical [Au25(SR)18]− cluster, depicting half of its core‐mass (2.3 kDa vs 5.0 kDa). The [Au12(SMe)6]2− cluster fulfills a 1S2 1P6 electronic configuration, with a distorted tetrahedral Au8 core further viewed as an SP3‐hybridized superatom. The distinctive optical properties show a blue‐shift for the first relevant 1P→1D transition, in comparison to [Au25(SR)18]−. In addition, chiroptical activity is observed, denoting intrinsic core chirality. We expect that our results can shed light into the variation of the molecular properties according to the size‐dependent properties, and serve as guidelines for further experimental exploration of minimal or ultrasmall nanoclusters.
Pedigree Selection and Information Content
Authors: Vardarajan Badri N. , Beecham Gary W. , Haines Jonathan L. 
Published: April 2018

AbstractIn this article, we discuss strategies for selection of families and family members for genetic studies. We will evaluate strategies to sample large families with multiply affected members, sibships, and nuclear families. In addition, we have added a section to discuss sub‐sampling within pedigrees for large sequencing studies, particularly when genome‐wide SNP chips are available on all members of a pedigree. The type of family sampled for a study will determine the statistical analyses and power of discovery of genetic findings. We will evaluate study designs that maximize power and allow for linkage and association analyses to identify genetic loci predisposing to phenotype. © 2018 by John Wiley & Sons, Inc.
Computational Prediction of Position Effects of Human Chromosome Rearrangements
Authors: Zepeda‐Mendoza Cinthya J. , Menon Shreya , Morton Cynthia C. 
Published: April 2018

AbstractBalanced and apparently balanced chromosome abnormalities (BCAs) have long been known to generate disease through position effects, either by altering local networks of gene regulation or by positioning genes in architecturally different chromosome domains. Despite these observations, identification of genes distally affected by BCAs is often neglected, especially when predicted gene disruptions are found elsewhere in the genome. In this article, we provide detailed instructions on how to run a computational pipeline that identifies relevant candidates for non‐coding BCA position effects. This methodology facilitates quick identification of genes potentially involved in disease by non‐coding BCAs and other types of rearrangements, and expands on the importance of considering the long‐range consequences of genomic lesions. © 2018 by John Wiley & Sons, Inc.
PLINK: Key Functions for Data Analysis
Authors: Slifer Susan H. 
Published: April 2018

AbstractGenetic data analysis of large numbers of single nucleotide variants (SNVs), including genome‐wide association studies (GWAS), exome chips, and whole exome (WES) or whole‐genome (WGS) sequencing data, requires well defined processing steps. As a result, several freely available analytic toolkits have been developed to streamline these processes. Among these, PLINK is the most comprehensive in terms of its quality control and analytic modules, although its focus remains on SNVs. PLINK fulfills two analytic needs—aiding the process of performing quality control (QC) on large data sets and providing basic statistical tools to analyze the variants in genetic models. The current version of PLINK (v1.90b) has incorporated several sophisticated statistical modeling features, such as those that were introduced by GCTA (genome‐wide complex trait analysis), including mixed‐model association analysis and cluster‐based algorithms. Although PLINK is diverse in its applicability to data management and analysis, in some instances, other available tools offer more optimal options. Here we provide a practical overview of major PLINK features with respect to QC, data management, and association mapping, along with learned shortcuts and limitations to be considered. In cases where PLINK features are limited, we provide alternative approaches using additional freely available pipelines. © 2018 by John Wiley & Sons, Inc.
In Vivo and In Vitro Methods to Identify DNA Sequence Variants that Alter RNA Splicing
Authors: Patel Parth N. , Gorham Joshua M. , Ito Kaoru , Seidman Christine E. 
Published: April 2018

AbstractIdentification of sequence variants that create or eliminate splice sites has proven to be a significant challenge and represents one of many roadblocks in the clinical interpretation of rare genetic variation. Current methods of identifying splice‐altering sequence variants are limited by an imperfect understanding of splice signals and the need for cumbersome functional assays. We have recently developed a computational tool that prioritizes putative splice‐altering sequence variants and a moderate‐throughput minigene assay that confirms the variants that alter splicing. This bioinformatic strategy represents a substantial increase in accuracy and efficiency with respect to historical in vitro splicing assays. In this article, we give detailed instructions on how to organize, run, and interpret various features of this procedure. We expect that splice‐altering variants revealed through this protocol can be reliably carried forward for further clinical and biological analyses. © 2018 by John Wiley & Sons, Inc.
Resting State fMRI in Rodents
Authors: Pan Wen‐Ju , Billings Jacob , Nezafati Maysam , Abbas Anzar , Keilholz Shella 
Published: April 2018

AbstractResting state functional MRI (fMRI) and functional connectivity are widely applied in humans to examine the role of brain networks in normal function and dysfunction. A similar approach can be taken in rodents, either to obtain translational measures in models of brain disorders or to more carefully examine the neurophysiological underpinnings of the networks. A protocol for resting state functional connectivity in the anesthetized rat, from animal setup to data acquisition to possible pipelines for data analysis, is described. © 2018 by John Wiley & Sons, Inc.