bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effects of Matching Facet Pairs of TiO2 on Photoelectrochemical Water Splitting Behaviors
Authors: Phawa Chaiyasit , Prayoonpokarach Sanchai , Sinthiptharakoon Kitiphat , Chakthranont Pongkarn , Sangkhun Weradesh , Faungnawakij Kajornsak , Butburee Teera 
Published: January 2020

AbstractEngineering crystal facets have been proved as one of the most promising strategies for promoting photocatalytic performance of titanium dioxide (TiO2). The earlier research in this field focused on trying to obtain as high ratio of the high energy {001} facet as possible, while later found that the co‐existence of facets is more beneficial. However, controlling crystals to expose suitable facet pairs and facet ratios remains challenging. In this work, we not only comprehensively match possible low‐index facets such as {101}‐{001} and {010}‐{001} facet pairs, but also systematically tune their ratios. Moreover, these faceted particles can be directly grown onto the transparent conductive substrate, which can be directly used as a photoanode. So, their intrinsic behaviors can be precisely evaluated without interference from other exogenous factors such as binders, additives, or assembly skills. Various characterization techniques reveal that both the types of facet pairs and the ratios of facets play crucial roles on photocatalytic behaviors, due to the different electron affinity and dissociative adsorption ability of water molecules on a particular facet. Charge transport and surface chemistry have been thoroughly investigated to identify the underlying mechanism. This work sheds light on a material design strategy considering a suitable match of facet pairs for optimizing photocatalytic performance for a wide variety of applications.
Charge Carriers Cascade in a Ternary TiO2/TiO2/ZnS Heterojunction: A DFT Study
Authors: Di Liberto Giovanni , Tosoni Sergio , Pacchioni Gianfranco 
Published: January 2020

AbstractComposite materials whose band alignment induces a favorable separation of photogenerated electrons and holes often reveal a stronger photocatalytic activity compared to their separate components. As shown by experiments, titania composites display a heterojunction between the anatase (101)‐(001) surfaces, where the former stabilizes electrons and the latter the holes. In principle, an even more efficient carriers separation is achieved if a third component with high hole‐stabilizing capability, ZnS(110), is growth on anatase (001). However, even though this ternary TiO2/TiO2/ZnS composite material displays good photoactivity, it does not overperform the TiO2/TiO2 one. In this paper an explanation of this evidence is provided by means of periodic hybrid DFT calculations, showing how Coulomb forces play a role against the separation of charge carriers predicted based on the relative energy of the band edges. This highlights the necessity to explicitly account for structural and electronic junction's effects, as well as charge carriers’ localization.
In Situ Structural Determination of a Homogeneous Ruthenium Racemization Catalyst and Its Activated Intermediates Using X‐Ray Absorption Spectroscopy
Authors: Gustafson Karl P. J. , Guðmundsson Arnar , Bajnóczi Éva G. , Yuan Ning , Zou Xiaodong , Persson Ingmar , Bäckvall Jan‐E. 
Published: January 2020

AbstractThe activation process of a known Ru‐catalyst, dicarbonyl(pentaphenylcyclopentadienyl)ruthenium chloride, has been studied in detail using time resolved in situ X‐ray absorption spectroscopy. The data provide bond lengths of the species involved in the process as well as information about bond formation and bond breaking. On addition of potassium tert‐butoxide, the catalyst is activated and an alkoxide complex is formed. The catalyst activation proceeds via a key acyl intermediate, which gives rise to a complete structural change in the coordination environment around the Ru atom. The rate of activation for the different catalysts was found to be highly dependent on the electronic properties of the cyclopentadienyl ligand. During catalytic racemization of 1‐phenylethanol a fast‐dynamic equilibrium was observed.
Are Hetero‐metallapentalenes Aromatic or Not? A DFT Investigation
Authors: Zhu Qin , Lin Lu , Qiu Rulin , Zhu Jun 
Published: January 2020

AbstractAromaticity is one of the most basic concepts in organic chemistry. The planar Möbius aromatic metallapentalynes and metallapentalenes have attracted considerable attention in the past few years. However, the aromaticity of metallapentalenes containing heteroatoms (such as B, N, and O), termed as hetero‐metallapentalenes, is rarely studied. Herein, the stability and aromaticity of a series of hetero‐metallapentalenes are theoretically investigated. The results reveal lower aromaticity in metallaborapentalene, comparable aromaticity in metallazapentalene, and nonaromaticity in metalloxapentalene relative to that of metallapentalene. Moreover, the effect of Lewis bases on the aromaticity and stability of metallaborapentalene is discussed. These results provide useful information for experimental chemists to realize more hetero‐metallapentalenes.
Isolation, stereochemical study, and racemization of (±)‐pratenone A, the first naturally occurring 3‐(1‐naphthyl)‐2‐benzofuran‐1(3H)‐one polyketide from a marine‐derived actinobacterium
Authors: Zhang Shu‐Min , Zhang Lu , Kou Li‐Juan , Yang Qiao‐Li , Qu Bo , Pescitelli Gennaro , Xie Ze‐Ping 
Published: January 2020

Abstract(±)‐Pratenone A (1), the first representative of natural 3‐(1‐naphthyl)‐2‐benzofuran‐1(3H)‐one polyketides, was isolated from a marine‐derived Streptomyces pratensis strain KCB‐132 together with three other new analogues (2−4). Its structure was assigned by spectroscopic analysis, and the absolute configurations of the two enantiomers separated by high‐performance liquid chromatography were determined by single‐crystal X‐ray diffraction and electronic circular dichroism calculations. The solvent‐induced racemization of 1 and a proposed biogenetic pathway to 1−4 from the co‐isolated angucyclinone precursor, as well as their biological activity, are also discussed.
Exercise‐induced release of troponin
Authors: Stavroulakis George A. , George Keith P. 
Published: January 2020

AbstractIt is well established that regular physical activity reduces cardiovascular disease risk; however, numerous studies have demonstrated postexercise elevations in cardiac troponin (cTn), indicative of cardiac injury in apparently healthy individuals. The prevalence of these findings in different exercise settings and population groups, as well as potential underlying mechanisms and clinical significance of exercise‐induced cTn release are not yet quite determined. The present review will discuss the cTn response to exercise in light of developing cTn assays and the correlation between postexercise cTn release and cardiac function. Additionally, recent data regarding the potential link between strenuous endurance exercise and its relationship with unfavorable cardiac effects in athletes, as well as the management of patients presenting at emergency care after sport events will be briefly reviewed.
Associations between nutritional factors and chemotherapy toxicity in older adults with solid tumors
Authors: Dotan Efrat , Tew William P. , Mohile Supriya G. , Ma Huiyan , Kim Heeyoung , Sun Can‐Lan , Caan Bette , Dale William , Gajra Ajeet , Klepin Heidi D. , Owusu Cynthia , Gross Cary P. , Muss Hyman , Chapman Andrew , Katheria Vani , Hurria Arti 
Published: January 2020

BackgroundNutritional status can directly affect morbidity and mortality in older adults with cancer. This study evaluated the association between pretreatment body mass index (BMI), albumin level, and unintentional weight loss (UWL) in the prior 6 months and chemotherapy toxicity among older adults with solid tumors.MethodsThis was a secondary analysis of a prospective, multicenter study involving chemotherapy‐treated patients 65 years old or older. Geriatric assessment, BMI, albumin level, and UWL data were collected before treatment. Multivariable logistic regression models evaluated the associations between nutritional factors and the risk of grade 3 or higher (grade 3+) chemotherapy toxicity.ResultsSeven hundred fifty patients with a median age of 72 years (range, 65‐94 years) and mostly stage IV disease were enrolled. The median pretreatment BMI and albumin values were 26 kg/m2 (range, 15.1‐52.1 kg/m2) and 3.9 mg/dL (range, 1.0‐5.0 mg/dL), respectively. Nearly 50% of the patients reported UWL, with 17.6% reporting >10% UWL. Multivariable analysis revealed no association between >10% UWL and a risk for grade 3+ chemotherapy toxicity (adjusted odds ratio [AOR], 0.87; P = .58). Multivariable analysis showed a trend toward an association between a BMI ≥ 30 kg/m2 and a decreased risk of grade 3+ chemotherapy toxicity (AOR, 0.65; P = .06), whereas a low albumin level (≤3.6 mg/dL) was associated with a higher risk of grade 3+ chemotherapy toxicity (AOR, 1.50; P = .03). An analysis of the joint effect of BMI and albumin demonstrated the lowest risk of grade 3+ chemotherapy toxicity among patients with high BMIs (≥30 kg/m2) and normal albumin levels (AOR, 0.41; P = .008).ConclusionsAmong older adults with solid tumors, higher BMIs and normal albumin levels are associated with a lower risk of grade 3+ chemotherapy toxicity. Additional research is warranted to define the clinical significance of nutritional markers and to inform future interventions.
Physician and facility drivers of spending variation in locoregional prostate cancer
Authors: Rodin Danielle , Chien Alyna T. , Ellimoottil Chad , Nguyen Paul L. , Kakani Pragya , Mossanen Matthew , Rosenthal Meredith , Landrum Mary Beth , Sinaiko Anna D. 
Published: January 2020

BackgroundProstate cancer is the most common male cancer, with a wide range of treatment options. Payment reform to reduce unnecessary spending variation is an important strategy for reducing waste, but its magnitude and drivers within prostate cancer are unknown.MethodsIn total, 38,971 men aged ≥66 years with localized prostate cancer who were enrolled in Medicare fee‐for‐service and were included in the Surveillance, Epidemiology, and End Results‐Medicare database from 2009 to 2014 were included. Multilevel linear regression with physician and facility random effects was used to examine the contributions of urologists, radiation oncologists, and their affiliated facilities to variation in total patient spending in the year after diagnosis within geographic region. The authors assessed whether spending variation was driven by patient characteristics, disease risk, or treatments. Physicians and facilities were sorted into quintiles of adjusted patient‐level spending, and differences between those that were high‐spending and low‐spending were examined.ResultsSubstantial variation in spending was driven by physician and facility factors. Differences in cancer treatment modalities drove more variation across physicians than differences in patient and disease characteristics (72% vs 2% for urologists, 20% vs 18% for radiation oncologists). The highest spending physicians spent 46% more than the lowest and had more imaging tests, inpatient care, and radiotherapy spending. There were no differences across spending quintiles in the use of robotic surgery by urologists or the use of brachytherapy by radiation oncologists.ConclusionsSignificant differences were observed for patients with similar demographics and disease characteristics. This variation across both physicians and facilities suggests that efforts to reduce unnecessary spending must address decision making at both levels.
Xeno‐Free Reprogramming of Peripheral Blood Mononuclear Erythroblasts on Laminin‐521
Authors: Skorik Christian , Mullin Nathaniel K. , Shi Michael , Zhang Yosra , Hunter Phoebe , Tang Yang , Hilton Brianna , Schlaeger Thorsten M. 
Published: January 2020

AbstractTranslating human induced pluripotent stem cell (hiPSC)–derived cells and tissues into the clinic requires streamlined and reliable production of clinical‐grade hiPSCs. This article describes an entirely animal component–free procedure for the reliable derivation of stable hiPSC lines from donor peripheral blood mononuclear cells (PBMCs) using only autologous patient materials and xeno‐free reagents. PBMCs are isolated from a whole blood donation, from which a small amount of patient serum is also generated. The PBMCs are then expanded prior to reprogramming in an animal component–free erythroblast growth medium supplemented with autologous patient serum, thereby eliminating the need for animal serum. After expansion, the erythroblasts are reprogrammed using either cGMP‐grade Sendai viral particles (CytoTune™ 2.1 kit) or episomally replicating reprogramming plasmids (Epi5™ kit), both commercially available. Expansion of emerging hiPSCs on a recombinant cGMP‐grade human laminin substrate is compatible with a number of xeno‐free or chemically defined media (some available as cGMP‐grade reagents), such as E8, Nutristem, Stemfit, or mTeSR Plus. hiPSC lines derived using this method display expression of expected surface markers and transcription factors, loss of the reprogramming agent–derived nucleic acids, genetic stability, and the ability to robustly differentiate in vitro to multiple lineages. © 2020 by John Wiley & Sons, Inc.Basic Protocol 1: Isolating peripheral blood mononuclear cells using CPT tubesSupport Protocol 1: Removal of clotting factors to produce serum from autologous plasma collected in Basic Protocol 1Basic Protocol 2: PBMC expansion in an animal‐free erythroblast expansion medium containing autologous serumBasic Protocol 3: Reprogramming of expanded PBMCs with Sendai viral reprogramming particlesAlternate Protocol: Reprogramming of expanded PBMCs with episomal plasmidsBasic Protocol 4: Picking, expanding, and cryopreserving hiPSC clonesSupport Protocol 2: Testing Sendai virus kit–reprogrammed hiPSC for absence of Sendai viral RNASupport Protocol 3: Testing Epi5 kit–reprogrammed hiPSC for absence of episomal plasmid DNASupport Protocol 4: Assessing the undifferentiated state of human pluripotent stem cell cultures by multi‐color immunofluorescent staining and confocal imagingSupport Protocol 5: Coating plates with extracellular matrices to support hiPSC attachment and expansion
Cross‐linking Effects on Performance Metrics of Phenazine‐Based Polymer Cathodes
Authors: Gannett Cara N. , Peterson Brian M. , Shen Luxi , Seok Jeesoo , Fors Brett P. , Abruña Héctor D. 
Published: January 2020

AbstractDeveloping cathodes that can support high charge–discharge rates would improve the power density of lithium‐ion batteries. Herein, the development of high‐power cathodes without sacrificing energy density is reported. N,N′‐diphenylphenazine was identified as a promising charge‐storage center by electrochemical studies due to its reversible, fast electron transfer at high potentials. By incorporating the phenazine redox units in a cross‐linked network, a high‐capacity (223 mA h g−1), high‐voltage (3.45 V vs. Li/Li+) cathode material was achieved. Optimized cross‐linked materials are able to deliver reversible capacities as high as 220 mA h g−1 at 120 C with minimal degradation over 1000 cycles. The work presented herein highlights the fast ionic transport and rate capabilities of amorphous organic materials and demonstrates their potential as materials with high energy and power density for next‐generation electrical energy‐storage technologies.
Responses to terrestrial nest predators by endemic and introduced Hawaiian birds
Authors: Cummins George C. , Theimer Tad C. , Paxton Eben H. 
Published: January 2020

AbstractBirds free from nest predators for long periods may either lose the ability to recognize and respond to predators or retain antipredator responses if they are not too costly. How these alternate scenarios play out has rarely been investigated in an avian community whose members have different evolutionary histories. We presented models of two nest predators (rat and snake) and a negative control (tree branch) to birds on Hawaiʻi Island. Endemic Hawaiian birds evolved in the absence of terrestrial predators until rats were introduced approximately 1,000 years ago. Introduced birds evolved with diverse predator communities including mammals and snakes, but since their introduction onto the island approximately one century ago have been free from snake predation. We found that (a) endemic and introduced birds had higher agitation scores toward the rat model compared with the branch, and (b) none of the endemic birds reacted to the snake model, while one introduced bird, the Red‐billed Leiothrix (Leiothrix lutea), reacted as strongly to the snake as to the rat. Overall, endemic and introduced birds differ in their response to predators, but some endemic birds have the capacity to recognize and respond to introduced rats, and one introduced bird species retained recognition of snake predators from which they had been free for nearly a century, while another apparently lost that ability. Our results indicate that the retention or loss of predator recognition by introduced and endemic island birds is variable, shaped by each species' unique history, ecology, and the potential interplay of genetic drift, and that endemic Hawaiian birds could be especially vulnerable to introduced snake predators.
Contrasting patterns of sexually selected traits in Mediterranean and continental populations of European mouflon
Authors: Kavčić Krešimir , Corlatti Luca , Safner Toni , Budak Nikola , Šprem Nikica 
Published: January 2020

AbstractThe expression of sexually selected traits in highly dimorphic ungulates may be influenced by environmental quality. Variations in habitat conditions can impose different constraints on the allocation of energy resources to male life‐history traits, and possibly alter the female preferences for specific features. Here, we compared the horn growth patterns in male European mouflon Ovis aries musimon living in different habitats (Mediterranean vs. continental) but sharing a common genetic origin. We hypothesized that the expression of sexually selected traits such as horn development should be promoted in more favorable habitat conditions (i.e., Mediterranean). Using linear mixed models on data retrieved from individuals harvested under the same hunting regime, we found longer horns and greater individual variance in horn segment length in the Mediterranean population than in the continental one. Furthermore, Mediterranean rams showed no evidence of compensatory horn growth, as opposed to the continental rams. Unexpectedly, horn base circumference was greater in the continental habitat than in the Mediterranean one. The overall results suggest different patterns of investment in horns in the two populations, with seemingly stronger pressure and consequences of sexual selection on mouflon rams living in more favorable environments. Although the role of hunters' selectivity cannot be excluded a priori, our data suggest that the differences in the expression of sexually selected traits in our study populations may be influenced by environmental conditions. Because sexual selection can impose substantial fitness costs on individuals, further investigations on the trade‐offs between reproduction and survival would improve our understanding of the dynamics of mouflon populations living in different environmental conditions.
Impact of Methanol Photomediated Surface Defects on Photocatalytic H2 Production Over Pt/TiO2
Authors: Jiang Zhi , Qi Rongjie , Huang Zhengwen , Shangguan Wenfeng , Wong Roong Jien , Lee Adam 
Published: January 2020

Co‐catalysts play a critical role in enhancing the efficiency of inorganic semiconductor photocatalysts; however, synthetic approaches to tailoring co‐catalyst properties are rarely the focus of research efforts. A photomediated route to control the dispersion and oxidation state of a platinum (Pt) co‐catalyst through defect generation in the P25 titania photocatalyst substrate is reported. Titania photoirradiation in the presence of methanol induces long‐lived surface defects which subsequently promote the photodeposition of highly dispersed (2.2 ± 0.8 nm) and heavily reduced Pt nanoparticles on exposure to H2PtCl6. The optimal methanol concentration of 20 vol% produces the highest density of metallic Pt nanoparticles. Photocatalytic activity for water splitting and associated hydrogen (H2) production under UV irradiation mirrors the methanol concentration employed during the P25 photoirradiation pretreatment, and resulting Pt loading, resulting in a common mass‐normalized H2 productivity of 3800 ± 130 mmol gPt−1 h−1. Photomediated surface defects (arising in the presence of a methanol hole scavenger) provide electron traps that regulate subsequent photodeposition of a Pt co‐catalyst over P25, offering a facile route to tune photocatalytic efficiency.
Treatment with 24 hour istaroxime infusion in patients hospitalised for acute heart failure: a randomised, placebo‐controlled trial
Authors: Carubelli Valentina , Zhang Yuhui , Metra Marco , Lombardi Carlo , Felker G. Michael , Filippatos Gerasimos , O'Connor Christopher M. , Teerlink John R. , Simmons Phillip , Segal Robert , Malfatto Gabriella , La Rovere Maria Teresa , Li Dianfu , Han Xiumin , Yuan Zuyi , Yao Yali , Li Benjamin , Lau Lit Fui , Bianchi Giuseppe , Zhang Jian ,   the Istaroxime ADHF Trial Group
Published: January 2020

AbstractAimIstaroxime is a first‐in‐class agent which acts through inhibition of the sarcolemmal Na+/K+ pump and activation of the SERCA2a pump. This study assessed the effects of a 24 h infusion of istaroxime in patients hospitalised for acute heart failure (AHF).Methods and resultsWe included patients hospitalised for AHF with left ventricular ejection fraction ≤40% and E/e' > 10. Patients were randomised to a 24 h intravenous infusion of placebo or istaroxime at doses of 0.5 μg/kg/min (cohort 1: placebo n = 19; istaroxime n = 41) or 1.0 μg/kg/min (cohort 2: placebo n = 20, istaroxime n = 40). The primary endpoint of change in E/e' ratio from baseline to 24 h decreased with istaroxime vs. placebo (cohort 1: −4.55 ± 4.75 istaroxime 0.5 μg/kg/min vs. −1.55 ± 4.11 placebo, P = 0.029; cohort 2: −3.16 ± 2.59 istaroxime 1.0 μg/kg/min vs. −1.08 ± 2.72 placebo, P = 0.009). Both istaroxime doses significantly increased stroke volume index and decreased heart rate. Systolic blood pressure increased with istaroxime, achieving significance with the high dose. Self‐reported dyspnoea and N‐terminal pro‐brain natriuretic peptide improved in all groups without significant differences between istaroxime and placebo. No significant differences in cardiac troponin absolute values or clinically relevant arrhythmias were observed during or after istaroxime infusion. Serious cardiac adverse events (including arrhythmias and hypotension) did not differ between placebo and istaroxime groups. The most common adverse events were injection site reactions and gastrointestinal events, the latter primarily with istaroxime 1.0 μg/kg/min.ConclusionsIn patients hospitalised for AHF with reduced ejection fraction, a 24 h infusion of istaroxime improved parameters of diastolic and systolic cardiac function without major cardiac adverse effects.