bluuebunny/crossref_metadata_2025_split huggingface dataset:
PyVisA: Visualization and Analysis of path sampling trajectories
Authors: Aarøen Ola , Kiær Henrik , Riccardi Enrico 
Published: December 2020

AbstractRare event methods applied to molecular simulations are growing in popularity, accessible and customizable software solutions have thus been developed and released. One of the most recent is PyRETIS, an open Python library for performing path sampling simulations. Here, we introduce PyVisA, a postprocessing package for path sampling simulations, which includes visualization and analysis tools for interpreting path sampling outputs. PyVisA integrates PyRETIS functionalities and aims to facilitate the determination of: (a) the correlation of the order parameter with other descriptors; (b) the presence of latent variables; and (c) intermediate meta‐stable states. To illustrate some of the main PyVisA features, we investigate the proton transfer reaction in a protonated water trimer simulated via a simple polarizable model (Stillinger−David).
The relationship between plasma serglycin levels and the diagnosis of diabetic retinopathy
Authors: Wang Layi , Han Yin , Wang Xiajun 
Published: December 2020

AbstractBackgroundDiabetic retinopathy (DR), a microvascular complication which is closely related to diabetes, remains the leading cause of vision loss around the world among older adults. Serglycin (SRGN) was known as a hematopoietic cell granule proteoglycan, exerting its function in the formation of mast cell secretory granules and mediates the storage of various compounds in secretory vesicles. The present study illustrates the potential clinical value and experimental mechanisms of SRGN in the DR.MethodsFirstly, the mRNA expression and protein expression of SRGN in plasma samples from NPDR, PDR patients, type 2 diabetes mellitus (T2Dm) cases, and healthy controls were measured by qPCR and Western blotting assays, respectively. Then, the potentials of SRGN functioning as a diagnostic indicator in DR were verified by the receiver operating characteristic (ROC) analysis. We established in vitro DR model of human retinal endothelial cells through high‐glucose treatment. The expression of SRGN and its mechanisms of regulating cellular processes were illustrated subsequently.ResultsOur data revealed that SRGN was dramatically upregulated in NPDR and PDR cases compared with healthy controls and T2DM patients; meanwhile, the expression of SRGN was further increased in the PDR group with regard to the NPDR group. Furthermore, the ROC analysis demonstrated that SRGN could distinguish the DR cases from type 2 diabetes mellitus (T2DM) patients and healthy controls with the area under the curve (AUC) of 0.7680 (95% CI = 0.6780 ~ 0.8576, sensitivity = 47.27%, specificity = 100%, cutoff value = 1.4727) and 0.8753 (95% CI = 0.8261 ~ 0.9244, sensitivity = 69.23%, specificity = 100%, cutoff value = 1.6923), respectively. In vitro high‐glucose treatment showed that the SRGN expressions were dramatically increased. The loss of SRGN could partially counteract the inhibition of HREC proliferation caused by high‐glucose stimulation. Meanwhile, SRGN knockdown could reverse the promotion of HREC apoptosis induced by high glucose as well.ConclusionsConsequently, our study implied that SRGN might serve as a promising biomarker with high specificity and sensitivity in the DR diagnosis and progression.
Effect of Body Fat on Population Pharmacokinetics of High‐Dose Methotrexate in Pediatric Patients With Acute Lymphoblastic Leukemia
Authors: Orgel Etan , Nabais Teresa , Douglas Christopher , Mittelman Steven D. , Neely Michael 
Published: December 2020

AbstractNearly all international regimens for pediatric acute lymphoblastic leukemia (ALL) incorporate intravenous “high‐dose” methotrexate (HDMTX, ≥1 g/m2) to penetrate the central nervous system. Dosing is routinely adjusted for body surface area (BSA), but limited data describe the pharmacokinetics of HDMTX, particularly in obese and/or large patients. To understand the impact of body size (BSA) and body fat percentage (BFP) on HDMTX pharmacokinetics, we performed a secondary analysis of 36 children and adolescents 10‐21 years old treated for newly diagnosed ALL and who were enrolled in a prospective study examining body composition. All patients received 5 g/m2 of HDMTX infused over 24 hours. Plasma methotrexate concentrations were measured at 24, 42, and 48 hours. At 48 hours, ≥0.4 μmol/L was defined as “delayed elimination,” necessitating prolonged supportive care. BFP was measured using dual‐energy x‐ray absorptiometry. A nonparametric population pharmacokinetic model was constructed with subsequent simulations to explore effects of BSA and BFP extremes. Despite standard BSA‐adjusted dosing, we found significant intrapatient variability in mean MTX concentration (38%; range, 1.2%‐86%). BSA and BFP were not linearly associated with increased area under the curve (AUC, P = 0.74 and P = 0.12), but both larger size (BSA) and greater obesity (BFP) were associated with an approximately 2‐fold higher risk for delayed elimination at 48 hours. HDMTX AUC was not associated with toxicity. MTX pharmacokinetics vary among and even within patients despite BSA‐adjusted dosing. Obesity and large size are identified as new risk factors for delayed elimination, requiring further investigation.
Prostatic Pharmacokinetic/Pharmacodynamic Evaluation of Ampicillin‐Sulbactam for Bacterial Prostatitis and Preoperative Prophylaxis
Authors: Onita Tetsushu , Ikawa Kazuro , Nakamura Kogenta , Nishikawa Genya , Kobayashi Ikuo , Ishihara Noriyuki , Tamaki Hiroki , Yano Takahisa , Naora Kohji , Morikawa Norifumi 
Published: December 2020

AbstractThis study aims to define the penetration of ampicillin and sulbactam into prostate tissue, develop a prostatic pharmacokinetic model of each drug, and assess the appropriateness of ampicillin‐sulbactam regimens for the treatment of prostatitis and the prophylaxis of postoperative infection, based on a pharmacokinetic and pharmacodynamic simulation. Subjects were prostatic hyperplasia patients prophylactically receiving a 0.5‐hour infusion of 1.5 g (1:0.5 g) or 3 g (2:1 g) ampicillin‐sulbactam before transurethral resection of the prostate. Ampicillin and sulbactam concentrations in plasma and prostate tissue were measured. The prostate tissue/plasma ratios of both ampicillin and sulbactam were approximately 0.37 (area under the drug concentration‐time curve), and penetration was similar. The prostatic population pharmacokinetic model, which included a covariate analysis, adequately predicted prostate tissue concentrations in our patient population. For therapeutic use, aiming for a bactericidal target of 50% of time above minimum inhibitory concentration (T > MIC) in prostate tissue, 3 g ampicillin‐sulbactam 4 times daily achieved ≥90% expected probability against only Enterococcus faecalis in typical patients with a creatinine clearance (CLcr) of 30 mL/min. For prophylactic use, aiming for a bacteriostatic target of 30% T > MIC, 3 g ampicillin‐sulbactam 4 times daily achieved ≥90% expected probability of attaining the bacteriostatic target against E. faecalis and Proteus species when CLcr was 30 mL/min. Based on prostatic simulations, the present study provides helpful recommendations for the treatment of bacterial prostatitis and preoperative prophylaxis in prostatectomy.
Effectiveness of a psychological intervention delivered by general nurses for alcohol use disorders in people living with HIV in Zimbabwe: a cluster randomized controlled trial
Authors: Madhombiro Munyaradzi , Kidd Martin , Dube Bazondlile , Dube Michelle , Mutsvuke Wilson , Muronzie Thabani , Zhou Danai Tavonga , Derveeuw Sarah , Chibanda Dixon , Chingono Alfred , Rusakaniko Simbarashe , Hutson Alan , Morse Gene D , Abas Melanie A , Seedat Soraya 
Published: December 2020

AbstractIntroductionThere have been very few randomized clinical trials of interventions for alcohol use disorders (AUD) in people living with HIV (PLWH) in African countries. This is despite the fact that alcohol use is one of the modifiable risk factors for poor virological control in PLWH on antiretroviral therapy.MethodsSixteen clinic clusters in Zimbabwe were selected through stratified randomization and randomized 1: 1 to Intervention and Control arms. Inclusion criteria for individual participants were being adult, living with HIV and a probable alcohol use disorder as defined by a score of 6 (women) or 7 (men) on the Alcohol Use Disorders Identification Test (AUDIT). In the Intervention clusters, participants received 8 to 10 sessions of Motivational Interviewing blended with brief Cognitive Behavioural Therapy (MI‐CBT). In the control clusters, participants received four Enhanced Usual Care (EUC) sessions based on the alcohol treatment module from the World Health Organisation mhGAP intervention guide. General Nurses from the clinics were trained to deliver both treatments. The primary outcome was a change in AUDIT score at six‐month post‐randomization. Viral load, functioning and quality of life were secondary outcomes. A random‐effects analysis‐of‐covariance model was used to account for the cluster design.ResultsTwo hundred and thirty‐four participants (n = 108 intervention and n = 126 control) were enrolled across 16 clinics. Participants were recruited from November 2016 to November 2017 and followed through to May 2018. Their mean age was 43.3 years (SD = 9.1) and 78.6% (n = 184) were male. At six months, the mean AUDIT score fell by −6.15 (95% CI −6.32; −6.00) in the MI‐CBT arm, compared to a fall of − 3.09 95 % CI − 3.21; −2.93) in the EUC arm (mean difference −3.09 (95% CI −4.53 to −1.23) (p = 0.05). Viral load reduced and quality of life and functioning improved in both arms but the difference between arms was non‐significant.ConclusionsInterventions for hazardous drinking and AUD comprising brief, multiple alcohol treatment sessions delivered by nurses in public HIV facilities in low‐income African countries can reduce problematic drinking among PLWH. Such interventions should be integrated into the primary care management of AUD and HIV and delivered by non‐specialist providers. Research is needed on cost‐effectiveness and implementation of such interventions, and on validation of cut‐points for alcohol use scales in low resource settings, in partnership with those with lived experience of HIV and AUD.
Impacts of convectively coupled equatorial waves on rainfall extremes in Java, Indonesia
Authors: Lubis Sandro W. , Respati Muhamad R. 
Published: December 2020

AbstractRainfall extremes cause significant socioeconomic impacts in Indonesia, as they are often followed by disastrous events, such as floods and landslides. Of particular interest is Java Island, the most populated region in Indonesia, which is prone to damaging flooding as a result of heavy rainfall. The prediction of rainfall extremes in this region has mainly been focused on the effects of seasonal and intraseasonal variability, such as monsoons and the Madden–Julian Oscillation. Here, using an extensive station database from 1987 to 2017 and the gridded Asian Precipitation‐Highly Resolved Observational Data Integration Toward Evaluation of Water Resources (APHRODITE) product from 1980 to 2007, we show that severe weather conditions associated with rainfall extremes in Java during the rainy season (November to April) can also be attributed to convectively coupled equatorial waves (CCEWs) that occur on a shorter time scale.Evidence is presented that CCEWs, including Kelvin, equatorial Rossby (ER), and mixed Rossby‐gravity (MRG) waves, significantly modulate daily rainfall extremes over Java Island. Of these three types, the Kelvin waves have the greatest influence on heavy rainfall over Java Island. The convectively active (suppressed) phases of Kelvin waves increase (decrease) the probability of extreme rain events over land regions by up to 60% (50%) of the baseline probability. On the other hand, the convectively active phases of ER (MRG) waves increase the probability by up to 45% (40%), while the suppressed phases decrease this by up to 40% (30%). In terms of the mechanism of rainfall extremes, CCEWs modulate moisture flux convergence, leading to the enhancement of local convection over the region. In addition, the analysis of multiple wave events indicates that positive (negative) interferences of the CCEWs lead to an amplification (suppression) of extreme rainfall probability. Overall, the results suggest that equatorial waves provide an important source of the predictability for daily extreme rainfall events over Java Island.
Interdecadal change in the relationship of Indochina Peninsula May precipitation to ENSO
Authors: Wu Renguang , Zhu Peijun 
Published: December 2020

AbstractThe present study detected an obvious interdecadal change in the relationship of Indochina Peninsula (ICP) May precipitation to El Niño‐Southern Oscillation (ENSO). During the 1950s through the late‐1970s, more (less) ICP precipitation tends to occur in May of La Niña (El Niño) developing years, whereas after the late‐1990s, more (less) ICP precipitation tends to appear in May of La Niña (El Niño) decaying years. During the late‐1970s through the late‐1990s, more (less) ICP precipitation occurs in May of La Niña (El Niño) persisting years. The interdecadal change in the ICP May precipitation‐ENSO relationship is related to two factors. One factor is the developing time of ENSO events. During the 1950s through the late‐1970s, ENSO events develop earlier with larger equatorial central‐eastern Pacific sea surface temperature (SST) anomalies in May. SST‐induced lower‐level wind anomalies extend northwestward from the equatorial central Pacific to the ICP. After the late‐1990s, ENSO events develop later with smaller equatorial central‐eastern Pacific SST anomalies in May. SST‐induced lower‐level wind anomalies are confined to the Pacific region. The other factor is the tropical Indo‐Pacific SST anomaly pattern. During the ENSO decaying years after the late‐1990s, opposite SST anomalies in the North Indian Ocean and central North Pacific work together to induce stronger wind anomalies over the ICP in May. In contrast, during the ENSO decaying years during the 1950s through the late‐1970s, wind anomalies are weaker over the ICP in May under the sole influence of the North Indian Ocean SST anomalies.
Phrenic nerve conduction study to diagnose unilateral diaphragmatic paralysis
Authors: Reynaud Vivien , Prigent Hélène , Mulliez Aurélien , Durand Marie‐Christine , Lofaso Frédéric 
Published: December 2020

AbstractBackgroundUnilateral diaphragmatic paralysis (UDP) has major clinical and etiological implications and, therefore, is important to diagnose. Lung function tests and invasive transdiaphragmatic pressure (Pdi) measurements are widely used to this end but, contrary to phrenic nerve conduction study (NCS), they require volitional maneuvers and/or may be poorly tolerated by patients. The purpose of this study was to compare the diagnostic accuracy of Pdi and phrenic NCS for UDP.MethodsWe retrospectively reviewed 28 patients with suspected UDP. The diagnosis established during a multidisciplinary meeting was the reference standard.ResultsPhrenic NCS correlated well with Pdi (r = 0.82, P < .005), and the two tests showed good agreement (κ = 0.82, P < .005). Phrenic NCS and Pdi measurements both had 95% sensitivity, 87.5% specificity, 95% positive predictive, and 87.5% negative predictive values.ConclusionsBoth tests were highly sensitive and specific. Phrenic NCS measurement is a simple, reproducible, noninvasive method whose results correlate well with Pdi and provide insight into the UDP mechanism. In the most difficult cases, combining lung function tests, respiratory muscle assessments, and phrenic NCS can help to establish the diagnosis.
Quantifying Consumption of Native Fishes by Nonnative Channel Catfish in a Desert River
Authors: Hedden S. C. , Gido K. B. , Hedden C. K. , Pennock C. A. , Duran B. R. , Hines B. A. , Gilbert E. I. , McKinstry M. C. , Durst S. L. , Franssen N. R. 
Published: December 2020

Abstract
The establishment of nonnative predators can have devastating consequences for native fish communities, but predation rates are often difficult to quantify due to spatial and temporal variation in predator foraging behavior. Predation by Channel Catfish Ictalurus punctatus throughout the Colorado River basin potentially threatens the recovery of native fishes. Because Channel Catfish are highly opportunistic feeders, an understanding of how piscivory by this species impacts prey populations should help to guide management in invaded systems. We used laboratory observations to model temperature-dependent stomach evacuation rates and combined those estimates with field-collected diet data to derive annual consumption across a 152-km reach of the San Juan River (New Mexico, Colorado, and Utah). In the field, stomach fullness increased with water temperature while the probability of observing fish prey in the diet increased with TL of Channel Catfish and water turbidity. Based on estimates of daily ration, diet composition, and Channel Catfish population demographics, we estimated the San Juan River population’s fish consumption to be 4.9 kg·ha−1·year−1 (95% CI = 4.0–6.1 kg·ha−1·year−1) in 2018 and 2.3 kg·ha−1·year−1 (95% CI = 1.8–2.8 kg·ha−1·year−1) in 2019. Native fishes accounted for 54% of the fish biomass consumed, which included two incidents of endangered Colorado Pikeminnow Ptychocheilus lucius consumption. Although these estimates should help managers to assess the predatory threat of Channel Catfish, additional information, such as the efficacy of nonnative control and prey population compensatory responses, will likely be necessary to develop robust management strategies aimed at reducing the predatory impacts of this nonnative species on native fish assemblages.
Cluster sampling for Morris method made easy
Authors: Shi Wen , Chen Xi 
Published: December 2020

AbstractIn this paper we provide a thorough investigation of the cluster sampling scheme for Morris' elementary effects method (MM), a popular model‐free factor screening method originated in the setting of design and analysis of computational experiments. We first study the sampling mechanism underpinning the two sampling schemes of MM (i.e., cluster sampling and noncluster sampling) and unveil its nature as a two‐level nested sampling process. This in‐depth understanding sets up a foundation for tackling two important aspects of cluster sampling: budget allocation and sampling plan. On the one hand, we study the budget allocation problem for cluster sampling under the analysis of variance framework and derive optimal budget allocations for efficient estimation of the importance measures. On the other hand, we devise an efficient cluster sampling algorithm with two variants to achieve enhanced statistical properties. The numerical evaluations demonstrate the superiority of the proposed cluster sampling algorithm and the budget allocations derived (when used both separately and in conjunction) to existing cluster and noncluster sampling schemes.
Quality of life among frail older persons (65+ years) in nursing homes: A cross‐sectional study
Authors: Sandgren Anna , Arnoldsson Lisa , Lagerholm Annika , Bökberg Christina 
Published: December 2020

AbstractAimTo assess the quality of life in frail older persons (65+ years) living in nursing homes and to examine differences between quality of life perceptions among different gender and age groups.DesignCross‐sectional.MethodsData were collected during 2015‐2017 based on two questionnaires (WHOQOL‐OLD and WHOQOL‐BREF). Seventy‐eight older persons living in nursing homes in southern Sweden answered the questionnaires in structured interviews. Descriptive and comparative statistics were used to analyse the data. The study was guided by Transparent Reporting of Evaluations with Nonrandomized Designs (TREND) guidelines.ResultsThe frail older persons reported low autonomy related to few opportunities to engage in everyday activities and were unable to do the things they liked to do and not feeling in control of their future. Another important result was that frail older persons seemed to have no or little fear of death and dying. No significant differences between gender or age on quality of life were revealed.
Simultaneous phase change energy storage and thermoresponsive shape memory properties of porous poly(vinyl alcohol)/phase change microcapsule composites
Authors: Ma Chao‐Qun , Shi Wen‐Zhao , Liu Jin‐Shu , Xing Jian‐Wei , Li Su‐Song , Huang Ya‐Yi 
Published: December 2020

AbstractPorous poly(vinyl alcohol) (PVA)/phase change microcapsule composites with shape memory properties were prepared by physical foaming, cycles of freezing–thawing and freeze drying. The effects of phase change microcapsules on pore structure, phase change energy storage capacity, thermal stability, crystallinity, mechanical properties, shape memory properties and water absorption and retention of the porous composites were investigated. With an increase of the proportion of phase change microcapsules, the pore density, pore size and water absorption and retention of the porous composite materials were decreased, while the phase change energy storage performance was improved and ΔHm was up to 31.22 J g−1. The phase change energy storage of the porous composites was stable even after 50 phase transition cycles. Meanwhile, the thermal stability of the porous composites was also not affected by the addition of phase change microcapsules. The entanglement of PVA molecular chains in the porous composites was affected by the microcapsules embedded in the matrix of PVA during freezing–thawing cycles, resulting in a change of crystallinity and mechanical properties of the porous composites. The porous composites with phase change energy storage capacity also showed good shape memory performance with shape recovery rate of 100% even after multiple deformation, which was expected to expand the multi‐field application of dual‐functional materials. © 2020 Society of Chemical Industry