bluuebunny/crossref_metadata_2025_split huggingface dataset:
Is a polar bond a prerequisite for an acid? Analysis of a widely accepted explanation
Authors: Fleischer Holger 
Published: September 2020

AbstractDie Erklärung der Acidität eines Moleküls HA durch die Polarität einer Element‐Wasserstoff‐Bindung („Polaritätskonzept“) ist nicht tragfähig. Die Analyse der Protolyse verschiedener Säuren HA mit der Base H2O in einem thermodynamischen Kreisprozess zeigt drei wesentliche Beiträge, die für Aciditätsunterschiede verantwortlich sind: Die freie Standardbindungsenthalpie, ΔBG0(H−A), die freie Standardhydratationsenthalpie der korrespondierenden Base A−, ΔhydG(A−), und die Ionisierungsenergie von A−, IE(A−). In vielen Fällen steigt der Betrag von ΔBG0(H−A), d.h. die Bindungsstärke der Element‐Wasserstoff‐Bindung, mit deren Polarität. Das steht dem Polaritätskonzept entgegen. Je größer hingegen IE(A−), desto stabiler ist A− und umso acider ist HA. Es wird die Hypothese aufgestellt, dass IE(A−) mit der Möglichkeit zur Delokalisierung der negativen Ladung zunimmt. Eine Analyse der Orbitale von CH3−, NH2−, OH− und F− zeigt, dass die Delokalisierung der Valenzelektronen und damit auch der negativen Ladung in dieser Reihe zunimmt. Dieser Effekt, und nicht die Polarität der H−A‐Bindung, bedingt den Anstieg der Acidität in der Reihe CH4−NH3−H2O−HF. Die Delokalisierung der negativen Ladung lässt sich mit dem Kugelwolkenmodell im Chemieunterricht der Sekundarstufe 1 anschaulich darstellen. Daher wird ein „Delokalisierungskonzept“ statt des „Polaritätskonzepts“ zur Vorhersage und zur Erklärung unterschiedlicher Aciditäten vorgeschlagen.
Transcatheter vs surgical aortic valve replacement in low to intermediate surgical risk aortic stenosis patients: A systematic review and meta‐analysis of randomized controlled trials
Authors: Zhang Dengshen , Mao Xin , Liu Daxing , Zhang Jian , Luo Gang , Luo Liangliang 
Published: September 2020

AbstractBackgroundTranscatheter aortic valve replacement (TAVR) is regarded as the most superior alternative treatment approach for patients with aortic stenosis (AS) who are associated with high surgical risk, whereas the effectiveness of TAVR vs surgical aortic valve replacement (SAVR) in low to intermediate surgical risk patients remained inconclusive. This study aimed to determine the best treatment strategies for AS with low to intermediate surgical risk based on published randomized controlled trials (RCTs).Hypothesis and MethodsRCTs that compared TAVR vs SAVR in AS patients with low to intermediate surgical risk were identified by PubMed, EmBase, and the Cochrane library from inception till April 2019. The pooled relative risks (RRs) with 95% confidence intervals (CIs) were calculated for the data collected using random‐effects models.ResultsSeven RCTs with a total of 6929 AS patients were enrolled. We noted that TAVR significantly increased the risk of transient ischemic attack (TIA) (RR: 1.43; 95%CI: 1.04‐1.96; P = .029), and permanent pacemaker implantation (RR: 3.00; 95%CI: 1.70‐5.30; P < .001). However, TAVR was associated with lower risk of post‐procedural bleeding (RR: 0.57; 95%CI: 0.33‐0.98; P = .042), new‐onset or worsening of atrial fibrillation (RR: 0.32; 95%CI: 0.23‐0.45; P < .001), acute kidney injury (RR: 0.40; 95%CI: 0.25‐0.63; P < .001), and cardiogenic shock (RR: 0.34; 95%CI: 0.19‐0.59; P < .001). The risk of aortic‐valve reintervention at 1‐ (RR: 2.63; 95%CI: 1.34‐5.15; P = .005), and 2 years (RR: 3.19; 95%CI: 1.63‐6.24; P = .001) in low to intermediate surgical risk patients who received TAVR was significantly increased than those who received SAVR.ConclusionsThese findings indicated that low to intermediate surgical risk patients who received TAVR had low risk of complications, whereas the risk of TIA, permanent pacemaker implantation, and aortic‐valve reintervention was increased.
Development of Selective TGR5 Ligands Based on the 5,6,7,8‐Tetrahydro‐5,5,8,8‐tetramethylnaphthalene Skeleton
Authors: Terui Ryusei , Yanase Yuta , Yokoo Hidetomo , Suhara Yoshitomo , Makishima Makoto , Demizu Yosuke , Misawa Takashi 
Published: September 2020

AbstractTGR5, a G‐protein‐coupled receptor (GPCR), plays an important role in several physiological functions. TGR5 activation through bile acids induces an increase in energy expenditure. Therefore, synthetic TGR5 ligands could be useful for the treatment of obesity or dyslipidemia. In this study, we designed and synthesized a set of TGR5 ligands with a 5,6,7,8‐tetrahydro‐5,5,8,8‐tetramethylnaphthalene (TMN) skeleton, and evaluated their TGR5 agonistic activity. We also investigated the selectivity of the synthesized compounds for TGR5 relative to the farnesoid X receptor (FXR) and retinoic acid receptor (RAR). Our results show that compound 4 b [N‐(2‐chlorophenyl)‐5,6,7,8‐tetrahydro‐5,5,8,8‐tetramethyl‐2‐naphthalenecarboxamide] exhibited potent TGR5 agonist activity with an IC50 value of 8.4 nM without significant cytotoxicity. In addition, compound 4 b showed only slight agonistic activity toward FXR and RAR at 1 μM treatment. These data indicate that compound 4 b is a selective TGR5 agonist, and could be a promising therapeutic agent for dyslipidemia.
Process mining‐constrained scheduling in the hybrid cloud
Authors: Azumah Kenneth K. , Sørensen Lene T. , Montella Raffaele , Kosta Sokol 
Published: September 2020

SummaryHybrid cloud, typically a combination of public and private cloud deployment models, is a rising paradigm due to the benefits it offers: full control of data and applications in the private cloud and elastic computing resource availability in the public cloud. This combination however brings an extra layer of complexity that can potentially erode the benefits and present serious challenges if not managed well. Among the challenges, ensuring business constraint compliance across the combination of cloud deployment models is a growing concern. Our article brings a sensitive, data‐ and process‐aware framework to bear on task scheduling in hybrid clouds with compliance to business constraints. Our proposed approach utilizes data from a real hybrid cloud‐based hospital billing system that is governed by complex and dynamic data processing rules. Our system successfully employs a process mining controlled algorithm to schedule tasks in the hybrid cloud to comply with the given set of business constraints.
Rapid‐Scan Electron Paramagnetic Resonance of Highly Resolved Hyperfine Lines in Organic Radicals.
Authors: McPeak Joseph E. , Höfer Peter , Kacprzak Sylwia , Carl Patrick , Weber Ralph , Eaton Sandra S. , Eaton Gareth R. 
Published: September 2020

AbstractX‐band (ca. 9 GHz) fluid solution rapid‐scan electron paramagnetic resonance spectra are reported for radicals with multiline spectra and resolution of hyperfine lines as narrow as 30 mG. Highly‐resolved spectra of 3‐carbamoyl‐2,2,5,5‐tetramethylpyrrolidin‐1‐yloxy, diphenylnitroxide, galvinoxyl, and perylene cation radical with excellent signal‐to‐noise are shown, demonstrating the capabilities of the rapid‐scan technique to characterize very small, well‐resolved hyperfine couplings. To acquire high resolution spectra the signal bandwidth must be less than the resonator bandwidth. Signal bandwidth is inversely proportional to linewidth and proportional to scan rate. Resonator bandwidth is inversely proportional to resonator Q. Proper selection of scan rate and resonator Q is needed to achieve resolution of closely‐spaced narrow EPR lines.
The Mechanism of Flex‐Activation in Mechanophores Revealed By Quantum Chemistry
Authors: Mier Lennart J. , Adam Gheorghe , Kumar Sourabh , Stauch Tim 
Published: September 2020

AbstractFlex‐activated mechanophores can be used for small‐molecule release in polymers under tension by rupture of covalent bonds that are orthogonal to the polymer main chain. Using static and dynamic quantum chemical methods, we here juxtapose three different mechanical deformation modes in flex‐activated mechanophores (end‐to‐end stretching, direct pulling of the scissile bonds, bond angle bendings) with the aim of proposing ways to optimize the efficiency of flex‐activation in experiments. It is found that end‐to‐end stretching, which is a traditional approach to activate mechanophores in polymers, does not trigger flex‐activation, whereas direct pulling of the scissile bonds or displacement of adjacent bond angles are efficient methods to achieve this goal. Based on the structural, energetic and electronic effects responsible for these observations, we propose ways of weakening the scissile bonds experimentally to increase the efficiency of flex‐activation.
Quantitative Proteomic Profiling of Murine Ocular Tissue and the Extracellular Environment
Authors: Yeung Jason , Lamb Jeffrey , Krieger Jonathan R. , Gadjeva Mihaela , Geddes‐McAlister Jennifer 
Published: September 2020

AbstractMass spectrometry‐based proteomics provides a robust and reliable method for detecting and quantifying changes in protein abundance among samples, including cells, tissues, organs, and supernatants. Physical damage or inflammation can compromise the ocular surface permitting colonization by bacterial pathogens, commonly Pseudomonas aeruginosa, and the formation of biofilms. The interplay between P. aeruginosa and the immune system at the site of infection defines the host's ability to defend against bacterial invasion and promote clearance of infection. Profiling of the ocular tissue following infection describes the nature of the host innate immune response and specifically the presence and abundance of neutrophil‐associated proteins to neutralize the bacterial biofilm. Moreover, detection of unique proteins produced by P. aeruginosa enable identification of the bacterial species and may serve as a diagnostic approach in a clinical setting. Given the emergence and prevalence of antimicrobial resistant bacterial strains, the ability to rapidly diagnose a bacterial infection promoting quick and accurate treatment will reduce selective pressure towards resistance. Furthermore, the ability to define differences in the host immune response towards bacterial invasion enhances our understanding of innate immune system regulation at the ocular surface. Here, we describe murine ocular infection and sample collection, as well as outline protocols for protein extraction and mass spectrometry profiling from corneal tissue and extracellular environment (eye wash) samples. © 2020 Wiley Periodicals LLC.Basic Protocol 1: Murine model of ocular infectionBasic Protocol 2: Murine model sample collectionBasic Protocol 3: Protein extraction from eye washBasic Protocol 4: Protein extraction from corneal tissueBasic Protocol 5: Mass spectrometry‐based proteomics and bioinformatics from eye wash and corneal tissue samples
Time trends in treatment modes of anorexia nervosa in a nationwide cohort with free and equal access to treatment
Authors: Støving René Klinkby , Larsen Pia Veldt , Winkler Laura Al‐Dakhiel , Bilenberg Niels , Røder Michael Ejnar , Steinhausen Hans‐Christoph 
Published: September 2020

AbstractBackgroundTreating patients with anorexia nervosa (AN) remains a major challenge. The choice between an inpatient or an outpatient care setting is an essential issue for the patients and for their relatives with major health economic implications. However, health services‐related studies are lacking. The present study was a descriptive exploration of time‐trends in treatment modes of patients with free and equal access to health services.MethodsThe study was based on a nationwide cohort of patients diagnosed for the first time with AN, each followed for 5 years in the registers covering the years 1994–2018. The per patient number of hospital admissions, cumulated number of days of hospitalization and number of outpatient visits during the first 5 years after initial diagnosis were considered.ResultsThe cohort of patients with AN with at least 5 years of follow‐up amounted to N = 7,505. A clear trend was observed in the per patient five‐year cumulated number of inpatient days, decreasing by 6% per year after adjustment for age at diagnosis, parental mental diagnosis, and family income. The five‐year number of hospital admissions after initial diagnosis decreased by 2% per year, while no trend was observed for outpatient visits.ConclusionsThe per patient number of hospitalizations and cumulated days of hospitalization during 5 years after diagnosis were reduced for patients initially diagnosed with AN while there was no change in the number of outpatient visits. The factors contributing to these changes of treatment modes over time are in need of further study.
Cascading implications of a single climate change event for fragile ecosystems on the Qinghai‐Tibetan Plateau
Authors: Lu Shanlong , Chen Fu , Zhou Jinfeng , Hughes Alice C. , Ma Xiaoqi , Gao Wenwen 
Published: September 2020

AbstractWith changing climates globally, we see changes in not just average conditions, but also in extreme events, and such events require special attention due to their unpredictable yet significant impact on native biotas. One such event is the formation of a landscape scar at Zonag Lake caused by a climate change‐induced outburst flooding event that occurred on 15 September 2011. During the winter, the scar region became a new birthplace for sandstorms, and since the flooding, remote sensing monitoring shows that between 2011 and 2020, there were 285 sandstorm days (between November and March), relative to none prior. The outburst flooding event and consequential sandstorms threaten the key lambing area of the Tibetan antelope (Chiru), affect the water balance of the Zonag Lake and downstream lakes, and may even impact on the flow in the Yangtze River. Active human intervention may be needed to repair this new desert spit and reverse the slew of consequences which may otherwise lead to significant population declines in one of the major Chiru breeding grounds due to the progressive loss of vegetation productivity across their main breeding area.
Forest conversion to oil palm compresses food chain length in tropical streams
Authors: Wilkinson Clare L. , Chua Kenny W. J. , Fiala Roswitha , Liew Jia H. , Kemp Victoria , Hadi Fikri Arman , Ewers Robert M. , Kratina Pavel , Yeo Darren C. J. 
Published: September 2020

AbstractIn Southeast Asia, biodiversity‐rich forests are being extensively logged and converted to oil palm monocultures. Although the impacts of these changes on biodiversity are largely well documented, we know addition to samples we collected in 201 little about how these large‐scale impacts affect freshwater trophic ecology. We used stable isotope analyses (SIA) to determine the impacts of land‐use changes on the relative contribution of allochthonous and autochthonous basal resources in 19 stream food webs. We also applied compound‐specific SIA and bulk‐SIA to determine the trophic position of fish apex predators and meso‐predators (invertivores and omnivores). There was no difference in the contribution of autochthonous resources in either consumer group (70–82%) among streams with different land‐use type. There was no change in trophic position for meso‐predators, but trophic position decreased significantly for apex predators in oil palm plantation streams compared to forest streams. This change in maximum food chain length was due to turnover in identity of the apex predator among land‐use types. Disruption of aquatic trophic ecology, through reduction in food chain length and shift in basal resources, may cause significant changes in biodiversity as well as ecosystem functions and services. Understanding this change can help develop more focused priorities for mediating the negative impacts of human activities on freshwater ecosystems.
Certain detection of uncertain taxa: eDNA detection of a cryptic mountain sucker (Pantosteus jordani) in the Upper Missouri River, USA
Authors: Mason Daniel H. , Dysthe Joseph C. , Franklin Thomas W. , Williams Chris L. , Young Michael K. , McKelvey Kevin S. , Schwartz Michael K. 
Published: September 2020

AbstractA lineage of the Mountain Sucker species complex (Pantosteus jordani) exists as a genetically and morphologically distinct taxon restricted to the Missouri River basin. This species is thought to be declining throughout its range and is assumed to be extirpated from the southern portion of its distribution. We developed a quantitative PCR‐based environmental DNA assay for P. jordani to help define and monitor its current range. The assay is both specific to P. jordani and sensitive to low amounts of DNA, with a detection limit of 10 DNA copies per reaction. In vitro experiments involved testing DNA from twenty tissue samples, collected from the Missouri River basin in Montana and Wyoming. The assay efficiently detected DNA of all P. jordani samples and did not amplify DNA of any closely related nontarget species. Additionally, 29 environmental DNA samples were taken in 19 waterbodies within P. jordani range and its presence or absence was determined prior to sampling at six of 29 sites. All sites where P. jordani was known absent produced negative results, and all sites where it was known present were confirmed with environmental DNA detections. The new assay was able to detect P. jordani at ten sites which were not previously known to contain individuals, demonstrating that this tool has the potential to rapidly expand the current understanding of this taxon's distribution.
Impact of an extended audit on identifying heart failure patients in general practice: baseline results of the OSCAR‐HF pilot study
Authors: Smeets Miek , Vaes Bert , Aertgeerts Bert , Raat Willem , Penders Joris , Vercammen Jan , Droogne Walter , Mullens Wilfried , Janssens Stefan 
Published: September 2020

AbstractAimsIdentifying heart failure (HF) patients in general practice is challenging, and little is known about the current quality of care. We implemented an extended audit from the electronic health records (EHRs) of general practitioners (GPs) to identify HF patients and investigate patient characteristics and quality of care.Methods and resultsThis study describes the baseline results of the OSCAR‐HF pilot study in eight general practices (51 GPs) in Flanders, Belgium. This prospective trial ran for 6 months. Interventions included an extended audit, an N‐terminal pro‐B‐type natriuretic peptide point‐of‐care test, and assistance of a specialist HF nurse. The extended audit searched on risk factors for HF, HF symptoms, signs, and medication in the GPs' EHR to generate a list of possible HF patients. GPs determined which patients had HF. Those HF patients constituted the OSCAR‐HF study population. Each patient file was manually revised to extract biomarker measurements, echocardiography data, and quality indicators. An independent panel of experts assessed the validity of GPs' HF diagnoses. Feedback about the validity of the HF diagnosis was given to the GP. Out of 18 011 patients ≥ 40 years, we identified 310 patients with a registered HF diagnosis before the study start (HF prevalence: 1.7%). The extended audit led to a 74% increase in identified HF patients (n = 538, HF prevalence: 3.0%) with a mean age of 79 ± 11 years. The prevalence of HF with reduced ejection fraction (HFrEF) was 20% (n = 110). A high proportion of patients underwent echocardiography in the past 5 years (86%, n = 462). Natriuretic peptides were rarely available in patients' files (19%, n = 100). Medical specialists should improve communication about the HF diagnosis because a specialist diagnosis was present in only 225 patients (42%) while 67% (n = 359) of the HF diagnoses were judged objectified by a panel of experts. Assigning a diagnosis of HF was particularly difficult in HF patients with preserved EF (HFpEF). HFrEF treatment rates with renin–angiotensin–aldosterone system blockers (84%, n = 92) and beta‐blockers (86%, n = 94) were very good; however, target doses were hardly reached (34% and 14%, respectively).ConclusionsThis study highlighted the need to improve case finding for HF in general practice and showed that an extended audit in the GPs' EHR was a successful strategy to do so. To improve the quality of HF care in general practice, specific strategies are needed to diagnose HFpEF and to reach target doses of disease‐modifying drugs in HFrEF patients.
Partial De‐Stoning of Olive Paste to Increase Olive Oil Quality, Yield, and Sustainability of the Olive Oil Extraction Process
Authors: Tamborrino Antonia , Servili Maurizio , Leone Alessandro , Romaniello Roberto , Perone Claudio , Veneziani Gianluca 
Published: September 2020

AbstractStone recovery in the olive oil extraction process can be an opportunity to increase both incomes and environmental sustainability. To this aim a new partial de‐stoning machine (called Moliden) is installed at the first stage of an olive oil extraction plant to investigate its influence on the quality and sustainability of the extraction process. Quantitative and qualitative results are compared with those achieved using a conventional extraction process. Despite the 60% of stone recovered, no significant differences are registered for oil yield and extractability. A high‐quality biomass is recovered by the partial de‐stoner machine, belonging to A1 class quality when compared to the standard of the wood pellet, with the only exception of the moisture content. The partial de‐stoning also improves the extra virgin olive oil (EVOO) quality in terms of hydrophilic phenols resulting in an enhancement of bitter and pungent sensory notes and most of all provides a beneficial effect for human health.Practical Applications: The new concept of partial de‐stoner machine proposed in this work allows reducing the equipment employed in the extraction process of olive oil, since it consists of two sections: crushing and de‐stoning. When compared with a standard unit, which recover pits from pomace, it provides a higher quality stone to be used as a biomass fuel. This leads to economic benefits for the millers and has a significant impact on the environmental sustainability of the process.
A detailed process design for conventional friction stir welding of aluminum alloys and an overview of related knowledge
Authors: El‐Moayed Mohamed H. , Shash Ahmed Y. , Rabou Mahmoud Abd , El‐Sherbiny Mahmoud G. 
Published: September 2020

AbstractFriction stir welding (FSW) has matured considerably since its introduction in 1991. Over the last decades, it has indeed branched and been applied in different fields, such as automotive, aerospace, railway, and shipbuilding. This article aims to survey the basic knowledge related to the conventional FSW of aluminum alloys in order to provide a tool for understanding the friction stir processes. The review covers the five basic process parameters: rotational speed, welding speed, tool geometry, tilt angle, and plunge depth. Furthermore, it presents the related equations and recommended ranges of those parameters to facilitate the process design step for industrial implementation. A sample of 30 published articles was drawn for that purpose. The current article also discusses the main five properties most researchers are interested in, namely, microstructure, microhardness, tensile strength, residual stresses, and distortion.