bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pitfalls in Heterogeneous Thermal, Electro‐ and Photocatalysis
Authors: Kramm Ulrike I. , Marschall Roland , Rose Marcus 
Published: April 2019

AbstractCatalysis is the key technology of our well‐established chemical industry. Also, it is considered one of the most interdisciplinary and fundamental sciences with enormous potential for future research and development. Hence, a high number of manuscripts dealing with all different aspects of catalysis topics are published each day. Unfortunately, certain pitfalls that became quite common by now are found in submitted manuscripts and sometimes (and too often) even pass the peer reviewing process. This is especially a problem at the forefront of catalysis research at which novel catalysts are developed and novel reaction systems are described from scratch. Hence, in this concept paper common pitfalls in carrying out and reporting catalytic experiments ranging from heterogeneous thermal catalysis to photo‐ and electrocatalysis are briefly summarized and solutions how to avoid these issues are presented.
Self‐Organization of Ionic Liquid‐Modified Organosilica Hollow Nanospheres and Heteropolyacids: Efficient Preparation of 5‐HMF Under Mild Conditions
Authors: An Sai , Wang Zelin , Zhang Huaiying , Miras Haralampos N. , Song Yu‐Fei 
Published: April 2019

AbstractAs a biomass‐derived platform molecule, 5‐hydroxymethylfurfural (5‐HMF) is a highly desirable feedstock for manufacturing of high value‐added chemicals ranging from starting materials for polyesters to biofuels. In this work, we reported the fabrication of a series of multicomponent solid acid catalysts based on heteropolyacids immobilized ILs‐modified organosilica hollow nanospheres (denoted as PW12‐ILs‐Cn‐HNS), in which PW12 (PW12=H3PW12O40 ⋅ xH2O) provides Brønsted acid site, ILs show strong electrostatic interactions with PW12, Cn (Cn=alkyl chain) is attached for hydrophobicity and HNS represents organosilica hollow nanospheres. When applied for catalytic dehydration of fructose to 5‐HMF, the PW12‐ILs‐C4‐HNS catalyst with 15.2 % PW12 loading exhibited the best dehydration activity to 5‐HMF with 93.7 % yield in DMSO at 100 °C in 2 h. Compared with 2D hexagonal and 3D interconnected structures, the excellent porosity properties of hollow nanospherical structure can provide a high population of the PW12 sites and enough confined nanospace for the dehydration of fructose. Moreover, the PW12‐ILs‐Cn‐HNS catalyst showed excellent stability over six catalytic cycles without obvious loss of activity. Most importantly, careful identification of the observed intermediates revealed crucial information for the dehydration process of fructose to 5‐HMF. As such, the proposed heterogeneous catalysts show great potential in biomass conversion processes.
Base‐Pairing Properties of Double‐Headed Nucleotides
Authors: Hornum Mick , Stendevad Julie , Sharma Pawan K. , Kumar Pawan , Nielsen Rasmus B. , Petersen Michael , Nielsen Poul 
Published: April 2019

AbstractNucleotides that contain two nucleobases (double‐headed nucleotides) have the potential to condense the information of two separate nucleotides into one. This presupposes that both bases must successfully pair with a cognate strand. Here, double‐headed nucleotides that feature cytosine, guanine, thymine, adenine, hypoxanthine, and diaminopurine linked to the C2′‐position of an arabinose scaffold were developed and examined in full detail. These monomeric units were efficiently prepared by convergent synthesis and incorporated into DNA oligonucleotides by means of the automated phosphoramidite method. Their pairing efficiency was assessed by UV‐based melting‐temperature analysis in several contexts and extensive molecular dynamics studies. Altogether, the results show that these double‐headed nucleotides have a well‐defined structure and invariably behave as functional dinucleotide mimics in DNA duplexes.
Copper‐Catalyzed Electrophilic Amidation of Organotrifluoroborates with Use of N‐Methoxyamides
Authors: Banjo Shona , Nakasuji Eiko , Meguro Tatsuhiko , Sato Takaaki , Chida Noritaka 
Published: April 2019

AbstractA copper‐catalyzed electrophilic amidation of aryltrifluoroborates with use of N‐methoxyamides is reported. The reaction shows high functional group compatibility derived from two distinct features: 1) the high stability of the N‐methoxyamides and 2) the nonbasic mild conditions in the presence of LiCl. The developed method can also be applied to the synthesis of enamides, which are widely distributed in natural products. Preliminary mechanistic studies suggest that the initial step is the transmetalation of the aryltrifluoroborate by the assistance of LiCl, and the resulting aryl copper intermediate provides the anilide through non‐SN2 oxidative addition to the N‐methoxyamide and subsequent reductive elimination.
Convergent Synthesis of Fluorene Derivatives by a Rhodium‐Catalyzed Stitching Reaction/Alkene Isomerization Sequence
Authors: Nishida Masaki , Shintani Ryo 
Published: April 2019

AbstractA convergent synthetic method for the synthesis of fluorene derivatives has been developed by devising a rhodium‐catalyzed stitching reaction/alkene isomerization sequence. The reactions proceed smoothly under mild conditions for a variety of substrate combinations, and extended π‐conjugation systems are also readily accessible by utilizing this synthetic method. Optical properties of the obtained fluorene derivatives have also been examined.
Wake Forest University long‐term follow‐up of type 2 myocardial infarction: The Wake‐Up T2MI Registry
Authors: Jogu Hanumantha R. , Arora Sameer , Vaduganathan Muthiah , Qamar Arman , Pandey Ambarish , Chevli Parag A. , Pansuriya Tusharkumar H. , Ahmad Muhammad I. , Dutta Abhishek , Sunkara Padageshwar R. , Qureshi Waqas , Vasu Sujethra , Upadhya Bharathi , Bhatt Deepak L. , Januzzi James L. , Herrington David 
Published: April 2019

AbstractBackgroundThe Wake‐Up T2MI Registry is a retrospective cohort study investigating patients with type 2 myocardial infarction (T2MI), acute myocardial injury, and chronic myocardial injury. We aim to explore risk stratification strategies and investigate clinical characteristics, management, and short‐ and long‐term outcomes in this high‐risk, understudied population.MethodsFrom 1 January 2009 to 31 December 2010, 2846 patients were identified with T2MI or myocardial injury defined as elevated cardiac troponin I with at least one value above the 99th percentile upper reference limit and coefficient of variation of 10% (>40 ng/L) and meeting our inclusion criteria. Data of at least two serial troponin values will be collected from the electronic health records to differentiate between acute and chronic myocardial injury. The Fourth Universal Definition will be used to classify patients as having (a) T2MI, (b) acute myocardial injury, or (c) chronic myocardial injury during the index hospitalization. Long‐term mortality data will be collected through data linkage with the National Death Index and North Carolina State Vital Statistics.ResultsWe have collected data for a total of 2205 patients as of November 2018. The mean age of the population was 65.6 ± 16.9 years, 48% were men, and 64% were white. Common comorbidities included hypertension (71%), hyperlipidemia (35%), and diabetes mellitus (30%). At presentation, 40% were on aspirin, 38% on β‐blockers, and 30% on statins.ConclusionImproved characterization and profiling of this cohort may further efforts to identify evidence‐based strategies to improve cardiovascular outcomes among patients with T2MI and myocardial injury.
Expression of the cold thermoreceptor TRPM8 in rodent brain thermoregulatory circuits
Authors: Ordás Purificación , Hernández‐Ortego Pablo , Vara Hugo , Fernández‐Peña Carlos , Reimúndez Alfonso , Morenilla‐Palao Cruz , Guadaño‐Ferraz Ana , Gomis Ana , Hoon Mark , Viana Félix , Señarís Rosa 
Published: April 2019

AbstractThe cold‐ and menthol‐activated ion channel transient receptor potential channel subfamily M member 8 (TRPM8) is the principal detector of environmental cold in mammalian sensory nerve endings. Although it is mainly expressed in a subpopulation of peripheral sensory neurons, it has also been identified in non‐neuronal tissues. Here, we show, by in situ hybridization (ISH) and by the analysis of transgenic reporter expression in two different reporter mouse strains, that TRPM8 is also expressed in the central nervous system. Although it is present at much lower levels than in peripheral sensory neurons, we found cells expressing TRPM8 in restricted areas of the brain, especially in the hypothalamus, septum, thalamic reticular nucleus, certain cortices and other limbic structures, as well as in some specific nuclei in the brainstem. Interestingly, positive fibers were also found traveling through the major limbic tracts, suggesting a role of TRPM8‐expressing central neurons in multiple aspects of thermal regulation, including autonomic and behavioral thermoregulation. Additional ISH experiments in rat brain demonstrated a conserved pattern of expression of this ion channel between rodent species. We confirmed the functional activity of this channel in the mouse brain using electrophysiological patch‐clamp recordings of septal neurons. These results open a new window in TRPM8 physiology, guiding further efforts to understand potential roles of this molecular sensor within the brain.
Comparison of prostate‐specific membrane antigen ligands in clinical translation research for diagnosis of prostate cancer
Authors: Sengupta Sagnik , Asha Krishnan Mena , Chattopadhyay Sudeshna , Chelvam Venkatesh 
Published: April 2019

AbstractBackgroundProstate‐specific membrane antigen (PSMA), overexpressed on prostate cancer (PCa), is a well‐characterized cell surface protein to selectively diagnose PCa. PSMA's unique characteristics and its 1000‐fold higher expression in PCa compared with other tissues renders it as a suitable biomarker for detection of PCa in its early stage. In this report, we critically analyze and recommend the requirements needed for the development of variety of PSMA‐targeted molecular imaging agents based on antibodies, small molecule ligands, peptides, and aptamers. The targeting moieties are either conjugated to radionuclear isotopes or near‐infrared agents for efficient diagnosis of PCa.Recent findingsFrom the analysis, it was found that several small molecule–derived PCa imaging agents are approved for clinical trials in Europe and the United States, and few are already in the clinical use for diagnosis of PCa. Even though 111In‐labeled capromab pendetide was approved by the Food and Drug Administration (FDA) and other engineered antibodies are available for detection of PCa, but high production cost, low shelf life (less than 1 month at 4°C), possibility of human immuno reactions, and low blood clearance rate necessitated a need for developing new imaging agents, which are serum stable, cost‐effective, and possesses longer shelf life (6 months), have fast clearance rate from nontargeted tissues during the diagnosis process. It is found that small molecule ligand‐derived imaging agents possesses most of the desired properties expected for an ideal diagnostic agent when compared with other targeting moieties.ConclusionThis report discusses in detail the homing moieties used in the development of targeted diagnostic tools for detection of PCa. The merits and demerits of monoclonal antibodies, small molecule ligands, peptides, and aptamers for imaging of PCa and intraoperative guided surgery are extensively analyzed. Among all, urea‐based ligands were found to be most successful in preclinical and clinical trials and show a major promise for future commercialization.
Accelerating the finite element analysis of functionally graded materials using fixed‐grid strategy on CUDA‐enabled GPUs
Authors: Pikle Nileshchandra K. , Sathe Shailesh R. , Vyavahare Arvind Y. 
Published: April 2019

SummaryFixed‐grid discretization strategy is proposed for static structural Finite Element Analysis (FEA) of Functionally Graded Materials (FGM). The fixed‐grid strategy reduces numerical integration cost dramatically by generating a single local stiffness matrix for isotropic materials. For FGMs, domain is discretized into the layers in such a way that material properties in each layer are constant. Therefore, for each layer, a single local stiffness matrix will be constructed. These matrices are directly used in the solver phase of the assembly‐free FEM without constructing the global stiffness matrix. The fixed‐grid strategy reduces the global memory transactions on the GPU by storing these elemental matrices in on‐chip shared memory or cached constant memory. Furthermore, the assembly‐free method is adopted to leverage a fine grained parallelism on the GPU at the degree of freedom level. Numerical experiments showed the effectiveness of the discrete layered approach for FGM using the fixed‐grid strategy. For performance evaluation two strategies using global memory and shared memory are compared and found that the use of shared memory can achieve approximately 2.4 times better performance than global memory.
LTTng‐HSA: Bringing LTTng tracing to HSA‐based GPU runtimes
Authors: Margheritta Paul , Dagenais Michel R. 
Published: April 2019

SummaryIn this paper, we propose LTTng‐HSA, a set of tools that allow for the collection of a single, unified software graphics processing unit (GPU) trace in ROCr, a Heterogeneous System Architecture (HSA)‐based API and runtime. HSA is a cross‐vendor standard facilitating the programming of heterogeneous systems that include CPUs, GPUs, and possibly other types of devices. Our open‐source solution is generic and easily adaptable to diverse GPU runtimes or APIs. Using Linux Trace Toolkit Next Generation (LTTng), a highly efficient Linux tracer, it collects different types of events over multiple executions of an application and aims to gather all the data into a single trace, offering an easy way to generate GPU‐related traces. Our instrumentation is achieved simply by preloading libraries, without recompiling the target application, which makes it flexible and easy to use. The resulting traces, which include API call stack information, GPU hardware metrics, command queue, and compute kernel profiling, are well adapted for postprocessing and further analysis. Our solution also includes tracing data from the Linux kernel and proposes views for Trace Compass, an interactive trace visualizer.
Parallel computing in soft X‐rays plasma diagnostic systems for thermal fusion reactors—feasibility studies for GPUs
Authors: Krawczyk Rafal , Czarski Tomasz , Linczuk Pawel , Wojenski Andrzej , Chernyshova Maryna , Pozniak Krzysztof , Mazon Didier , Kolasinski Piotr , Kasprowicz Grzegorz , Zabolotny Wojciech , Gaska Michal , Kowalsaka-Strzeciwilk Ewa , Malinowski Karol , Jardin Axel , Malard Philippe 
Published: April 2019

SummaryThis paper presents feasibility studies in utilizing graphics processing units (GPUs) as high‐performance computing hardware with front‐end electronics in high‐scale magnetic confinement thermal fusion experiments. The objective of the research is to provide scalable, high‐throughput, and low‐latency measurements for the runtime tokamak metallic impurities X‐ray diagnostic for the Tungsten Environment in Steady‐State Tokamak (WEST) reactor. The heterogeneous system of front‐end with field‐programmable gate arrays and the back‐end server was introduced to decompose workloads efficiently. It allows the comprehensive evaluation of CPUs and accelerators. In particular, a novel implementation of the back‐end algorithm for GPU with the performance analysis are presented.
New insights from children with early focal brain injury: Lessons to be learned from examining STEM‐related skills
Authors: Demir‐Lira Ö. Ece , Aktan‐Erciyes Aslı , Göksun Tilbe 
Published: April 2019

AbstractThe study of cognitive development in children with early brain injury reveals crucial information about the developing brain and its plasticity. However, information on long‐term outcomes of these children, especially in domains relevant to science, technology, engineering, and math (STEM) remains limited. In the current review, our goal is to address the existing research on cognitive development of children with pre‐ or perinatal focal brain lesion (PL) as it relates to children's STEM‐related skills and suggest future work that could shed further light on the developmental trajectories of children with PL. We argue that examining STEM‐related development in children with PL will have broader implications for our understanding of the nature of the plasticity children with PL exhibit as well as address theoretical questions in the field regarding the foundation skills for STEM, including visuospatial and mathematical skills.
Species‐specific differences in detection and occupancy probabilities help drive ability to detect trends in occupancy
Authors: Steenweg Robin , Hebblewhite Mark , Whittington Jesse , McKelvey Kevin 
Published: April 2019

AbstractOccupancy‐based surveys are increasingly used to monitor wildlife populations because they can be more cost‐effective than abundance surveys and because they may track multiple species, simultaneously. The design of these multi‐species occupancy surveys affects statistical power to detect trends in occupancy because individual species vary in resource selection, detection probability, and rarity. We tested for differences in the ability of a large‐scale monitoring program to detect changes in single‐species occupancy of 13 medium–large mammal species captured onn = 183 cameras systematically placed across five national parks in the Canadian Rockies (~21,000 km2). We focus the interpretation of our findings on three species at risk: grizzly bear, wolverine, and caribou. We found that statistical power to monitor trends in occupancy depends not only on the established elements associated with power (sampling size, effect size, and variation in estimates), but also on species‐specific detection and occupancy probabilities. These two probabilities, however, affected power differently. For most species in our study, power is insensitive to detection probability. Increasing replicate‐specific detection probability only improved power when the cumulative detection probability was below 0.80. Therefore, efficient species monitoring must consider that power no longer improves by increasing sample size or the replicate‐specific detection probability once this threshold is reached. On the other hand, species with occupancy probabilities close to 0.5 had lower statistical power than those with higher or lower occupancy, that is, power was higher for both rare and very common species. This pattern is due to the heretofore‐underappreciated effect of the binomial variation in occupancy. The implications of these findings are species‐specific. Grizzly bears, for example, had high detection and occupancy probabilities, resulting in high power to detect a population change. Conversely, wolverines had low detection probability and the power to detect change could be improved if detection probability was increased using lure or complimentary survey techniques. Caribou, however, with both low detection and occupancy probabilities, were likely too rare on the landscape to rely on camera‐based occupancy for monitoring. Practitioners should be aware of these species‐specific trade‐offs and may need to tailor monitoring programs to prioritize particular species of conservation concern.
Nanoscale pore structure and fractal characteristics of the continental Yanchang Formation Chang 7 shale in the southwestern Ordos Basin, central China
Authors: Ju Wei , You Yuan , Chen Yilin , Feng Shengbin , Xu Haoran , Zhao Yue , Liu Bo 
Published: April 2019

AbstractShales from the Yanchang Formation Chang 7 Member in the Ordos Basin are among the most important shale reservoirs in China and have been investigated due to their great potential. Knowledge of pore structure is important for understanding the storage capacity and flow mechanism in shale reservoirs. In this study, eight shale samples were collected from the Yanchang Formation Chang 7 Member in the southwestern Ordos Basin, and their geochemistry, mineral compositions, pore structure, and fractal characteristics were investigated based on X‐ray diffraction (XRD) analysis, total organic carbon (TOC) analysis, low‐pressure adsorption/desorption analysis, thermal maturity analysis, and fractal analysis. The results indicated that the TOC content ranged between 0.48% and 2.37%, and the Ro values varied from 0.826% to 1.217%. The major mineral compositions were quartz and clay minerals. Nitrogen adsorption/desorption analysis indicated that the isotherms were similar for all collected shale samples from the Chang 7 Member and resembled the type IV isotherm. Narrow slit‐like pore was the dominant pore type, and the pore size distribution appeared to be unimodal with its peak mainly around 40 nm. Investigation of factors for pore structures showed that the TOC content was the controlling factor for the Chang 7 shales. The Frenkel‐Halsey‐Hill (FHH) method was applied to determine fractal dimensions, which were calculated as the D1 (relative pressure >0.96), D2 (0.96 >relative pressure >0.45), and D3 (0.45 >relative pressure) values, ranging in the intervals of 2.788~2.854, 2.547~2.688, and 2.410~2.567, respectively. The relatively high fractal dimensions indicated that pore structures were complicated, and the higher D1 values suggested that pores with larger sizes showed a rougher pore surface and more complex pore structure. Fractal dimensions showed positive correlations with the contents of TOC and clay minerals, and a negative relationship with the quartz contents.
Scenario planning in the analytic hierarchy process
Authors: Durbach Ian 
Published: April 2019

AbstractMulticriteria decision analysis and scenario planning are complementary tools for supporting large‐scale, strategic decision making, but there has been limited interaction between the fields. This paper describes how scenario planning can be integrated with the analytic hierarchy process (AHP), one of the most popular approaches in decision analysis and one that is arguably more accessible for new users. Scenario planners looking for an avenue into multi‐criteria decision analysis may find the AHP a useful introduction, and AHP practitioners may find in scenario planning a tool with which to address problems with large, structural or “deep” uncertainties. A common understanding of scenarios as plausible futures, rather than states of nature, is emphasized, as is how scenarios can be viewed as a kind of “meta‐attribute” over which possible courses of action can be compared. A simulation experiment assesses the potential effects of ignoring scenario‐specific information, as well as of different ways of constructing scenarios.