bluuebunny/crossref_metadata_2025_split huggingface dataset:
Advances in peroxide‐initiated graft modification of thermoplastic biopolyesters by reactive extrusion
Authors: Tiwary Praphulla , Najafi Naqi , Kontopoulou Marianna 
Published: February 2021

AbstractWe report recent advances in the solvent‐free reactive extrusion of thermoplastic biopolyesters, in the presence of peroxide initiators and tri‐functional cross‐linking/ chain extending agents. The resulting compounds have improved processability and properties compared to the starting materials, including higher melt strength due to long‐chain branching, higher crystallinity, faster crystallization kinetics, and improved mechanical properties. We demonstrate that these strategies are effective in thermoplastic biopolyesters, such as poly(lactide) (PLA) and various poly(hydroxyalkanoates) (PHAs), including poly(hydroxybutyrate) (PHB), and medium‐chain length PHAs. In addition to the improvements in properties, this approach has significant benefits in polymer processing operations, including blend compatibilization, and foaming. We also demonstrate that crosslinked PLA particles prepared by reactive extrusion using peroxide and a tri‐functional coagent, serve as very effective nucleating additives, resulting in crystallization half‐times as low as 1 min, and heat deflection temperature as high as 140°C. These modifications do not have adverse effects on the hydrolytic degradation characteristics of PLA.
Realizing zT Values of 2.0 in Cubic GeTe
Authors: Cao Jing , Chien Sheau Wei , Tan Xian Yi , Tan Chee Kiang Ivan , Zhu Qiang , Wu Jing , Wang Xizu , Zhao Yunshan , Yang Le , Yan Qingyu , Liu Hongfei , Xu Jianwei , Suwardi Ady 
Published: February 2021

AbstractOver the past two years, GeTe has quickly cemented its place as the best performing thermoelectric material at a medium temperature range. The key factors behind the extraordinary performance lie in its favourable electronic and thermal properties, which arise from its unique crystal structure. The slight rhombohedral distortion at temperatures below 700 K results in lower lattice thermal conductivity while maintaining high electronic properties via high level of band‐convergence. In addition, while GeTe has a cubic structure above 700 K, the local atomic disorder persists, which maintains its low thermal conductivity. To date, the understanding of the temperature‐dependent thermoelectric properties of cubic GeTe at room temperature and above is very limited. This is due to the difficulties in stabilizing cubic GeTe at low temperatures. In this work, we leverage on low level of Ti doping to stabilize cubic‐phase GeTe at room temperature and elucidate its temperature‐dependent electronic and thermal properties. Further doping with In, Cu, Sb, and Pb results in zT as high as 2 at 773 K, and high average zT of 1.4 between 300 and 800 K.
Two‐Step Thermal Annealing: An Effective Route for 15 % Efficient Quasi‐2D Perovskite Solar Cells
Authors: Romano Valentino , Najafi Leyla , Sutanto Albertus Adrian , Schileo Giorgio , Queloz Valentin , Bellani Sebastiano , Prato Mirko , Marras Sergio , Nazeeruddin Mohammad Khaja , D'Angelo Giovanna , Bonaccorso Francesco , Grancini Giulia 
Published: February 2021

AbstractLow‐dimensional perovskites (LDP) are nowadays recognized as promising materials for the realization of highly performing photovoltaic cells. However, issues related to film morphology, composition, crystal quality and material homogeneity limit the device performances and reproducibility. In this work, we implement a robust method for the deposition of a LDP mixing methylammonium (MA) and phenylethylammonium (PEA) cations to create the mixed system (PEA)2MA39Pb40I121 by using a two‐step thermal annealing treatment (at 60 and 100 °C). Our approach results in LDP films with high crystal quality and enhanced carrier lifetime, which double the power conversion efficiency of reference devices, reaching up to 15 %.
N‐Alkylated Aromatic Poly‐ and Oligoamides
Authors: Akhdar Ayman , Gautier Arnaud , Hjelmgaard Thomas , Faure Sophie 
Published: February 2021

AbstractN‐alkylated aromatic poly‐ and oligoamides are a particular class of abiotic foldamers that is deprived of the capability of forming intramolecular hydrogen‐bonding networks to stabilize their tri‐dimensional structure. The alkylation of the backbone amide nitrogen atoms greatly increases the chemical diversity accessible for aromatic poly‐ and oligoamides. However, the nature and the conformational preferences of the N,N‐disubstituted amides profoundly modify the folding properties of these aromatic poly‐ and oligoamides. In this Review, representative members of this class of aromatic poly‐ and oligoamides will be highlighted, among them N‐alkylated phenylene terephthalamides, benzanilides, pyridylamides, and aminomethyl benzamide oligomers. The principal synthetic pathways to the main classes of N‐alkylated aromatic polyamides with narrow to broad molecular‐weight distribution, or oligoamides with specific sequences, will be detailed and their foldameric properties will be discussed. The Review will end by describing the few applications reported to date and future prospects for the field.
Silver Ion Release Accelerated in the Gastrovascular Cavity of Hydra vulgaris Increases the Toxicity of Silver Sulfide Nanoparticles
Authors: Kang Jae Soon , Park June-Woo 
Published: February 2021

Abstract
Silver nanoparticles (Ag-NPs) streamed into aquatic environments are chemically transformed into various forms, and one of the predominant forms is silver sulfide NPs (Ag2S-NPs). Because of the lower dissolution rate of silver ions (Ag+), the toxicity of Ag2S-NPs could be lower than that of Ag-NPs. However, the toxicity of Ag2S-NPs has been observed to be restored under oxidative or acidic conditions. In the present study, 4 aquatic organisms, Pseudokirchneriella subcapitata (algae), Daphnia magna (crustacean), Danio rerio (fish), and Hydra vulgaris (cnidarian), were exposed to Ag2S-NPs transformed from Ag-NPs using Na2S under anoxic conditions; and acute toxicity was evaluated. The acute toxicity of Ag2S-NPs was rarely observed in algae, crustaceans, and fish, whereas it was significantly restored in cnidarians. Although the dissolution rate was low in the medium exposed to Ag2S-NPs, high Ag+ was detected in H. vulgaris. To understand the mechanisms of Ag2S-NP toxicity in cnidarians, transcriptional profiles of H. vulgaris exposed to Ag-NPs, Ag2S-NPs, and AgNO3 were analyzed. As a result, most of the genes that were significantly changed in the Ag2S-NPs group were also found to be significantly changed in the AgNO3 group, indicating that the toxicity of Ag2S-NPs was caused by Ag+ dissolved by the acidic condition in the gastrovascular cavity of H. vulgaris. This finding is the first in an aquatic organism and suggests the need to reconsider the stability and safety of Ag2S-NPs in the aquatic environment. Environ Toxicol Chem 2021;40:1662–1672. © 2021 SETAC
Abstract
The decreased dissolution rate of silver ion (Ag+) in the silver sulfide nanoparticles (Ag2S-NPs) lowers the toxicity to many aquatic organisms. However, the dissolution rate of Ag2S-NPs in the gastrovascular cavity of Hydra vulgaris is increased, which leads to the increase of toxicity. Ag-NPs = silver nanoparticles; Ag2S-NPs = silver sulfide nanoparticles.
Ungaged inflow and loss patterns in urban and agricultural sub‐reaches of the Logan River Observatory
Authors: Tennant Hyrum , Neilson Bethany T. , Miller Matthew P. , Xu Tianfang 
Published: February 2021

AbstractStreams in semi‐arid urban and agricultural environments are often heavily diverted for anthropogenic purposes. However, they simultaneously receive substantial inflows from a variety of ungaged sources including stormwater returns, tile drainage, and irrigation runoff that help sustain flow during dry periods. Due to the inability to identify sources or directly gage many of these inflows, there is a clear need for methods to understand source origination while quantifying potential gains and losses over highly impacted reaches. In the context of the Logan River Observatory, historical gage data illustrate the importance of ungaged and unidentified inflows on maintaining or enhancing flows in both urban and agricultural reaches containing large diversions. To understand the inflows in this portion of the Logan River, we first analysed water samples for ions collected from a subset of representative inflow sources and applied clustering analyses to establish inflow source classifications and associated ion concentration ranges. These representative concentration ranges, combined with mainstem flow and river ion samples taken at sub‐reach scales, allow for the application of flow and mass balances to quantify inflow rates from different sources as well as any losses. These calculations demonstrate significant gains and losses occurring in many sub‐reaches during three sampling events. The dominant land use (urban or agriculture) and flow regime at the time of sampling were the primary drivers of gains and losses. These exchanges were found to be most important below large diversions during low flow conditions. This highlights the need to classify inflow sources (urban or agriculture, surface or groundwater) and estimate their contributions to anticipate instream consequences of land use and water management decisions. As irrigation and water conveyance practices become more efficient, a portion of these ungaged inflows could be diminished or eliminated, thus further depleting streamflow during dry periods.
Theoretical calculations and anahrmonic effect analysis for the conversion of nitrogen radical in burning reaction
Authors: Yu Hongjing , Xia Wenwen , Chen Yuanpeng , Yao Li 
Published: February 2021

AbstractThe purpose of this research is that clearly comprehends the conversion and reaction mechanism of N radical in burning reaction. The harmonic and anharmonic rate constants of the related reactions were calculated by the transition state (TS) theory and Yao and Lin (YL) method. And the kinetic and thermodynamic parameters considering anharmonic and harmonic factor were fitted respectively. In conclusion, the anharmonic effect cannot be ignored on the reaction process of N radical conversion. Besides, the simulation by CHEMKIN will be carried out by the fitted results in the future work. Therefore, the calculation can provide theoretical basis for the further research of the N‐related reactions, such as on the aspect of the removal of NOx.
Pharmacokinetic Evaluation of Blonanserin Transdermal Patch: Population Analysis and Simulation of Plasma Concentration and Dopamine D2 Receptor Occupancy in Clinical Settings
Authors: Kitamura Atsushi , Takagaki Takeshi , Nemoto Daisuke , Tomita Yoshiko , Nishibe Hironori , Kakuyama Hiroyoshi 
Published: February 2021

AbstractBlonanserin is an atypical antipsychotic drug with high affinity and selective antagonism for dopamine D2 and D3 and serotonin 5‐HT2A receptors. Blonanserin transdermal patch is the first transdermal formulation developed for the treatment of schizophrenia. The purpose of this population pharmacokinetic (PPK) analysis was to evaluate the characteristics of blonanserin pharmacokinetics after transdermal patch application, to estimate the daily fluctuation in blonanserin plasma concentration, and to evaluate the impact of patch application noncompliance to support usage in clinical settings. A total of 3747 plasma blonanserin concentrations from 9 clinical studies (93 healthy volunteers and 348 patients with schizophrenia) were used in the PPK analysis. The plasma concentration was predicted using the final PPK model, and dopamine D2 receptor occupancy was estimated on the basis of the results of a separately reported positron emission tomography study. A 2‐compartment, parallel zero‐order absorption with a lag time and first‐order elimination model was developed to describe the pharmacokinetics of blonanserin, including the change in absorption rate during patch application. The maximum/minimum ratio of plasma concentration was estimated as 1.10 at steady state, indicating minimal fluctuation. In the case of failure to remove the previous patch or a missing application, the increase or decrease in plasma concentration and dopamine D2 receptor occupancy was <20%. These results indicated that the plasma blonanserin concentration and dopamine D2 receptor occupancy were stable after blonanserin transdermal patch application, which may lead to improved tolerability during the treatment of patients with schizophrenia.
Use of Real‐World Data and Pharmacometric Modeling in Support of Lacosamide Dosing in Pediatric Patients Under 4 Years of Age
Authors: Lukka Pradeep B. , Woods Megan , Chhim Rebecca , Phelps Stephanie J. , Wheless James W. , Meibohm Bernd 
Published: February 2021

AbstractThe antiepileptic drug lacosamide (LCM) is approved in the United States and the European Union as monotherapy as well as adjunctive therapy for the treatment of focal seizures in children ≥4 years of age and adults. Using real‐world therapeutic drug monitoring data, we performed a pharmacometric analysis for 315 pediatric patients (>1 month to <18 years of age) who received lacosamide as both monotherapy and adjunctive therapy. Population pharmacokinetic modeling was performed using nonlinear mixed‐effects modeling with a 1‐compartment structural model with linear elimination, where clearance and volume of distribution were allometrically scaled for body weight, with no further need for age‐associated maturation functions. A covariate analysis for age, sex, race, and coadministration of other antiepileptic drugs identified phenobarbital and felbamate to significantly increase lacosamide clearance (1.71‐ and 1.46‐fold, respectively). Based on the developed population pharmacokinetic model, simulations were performed in virtual pediatric patients to explore age‐associated dose requirements to match lacosamide exposure in patient groups of different age with the exposure achieved in children ≥4 year of age with the weight‐based dosing recommendations provided by the US Food and Drug Administration. Based on this approach, our analysis suggested that children ≥3 years of age needed the same dose as recommended by the US Food and Drug Administration for children ≥4 years of age (12 mg/kg/d), while children 1 to 3 years of age may need 13 to 14 mg/kg/d and infants between 1 month and 1 year of age may need 15 to 18 mg/kg/d (based on their actual age) to match the exposure seen in children ≥4 years of age.
Preference for daily versus on‐demand pre‐exposure prophylaxis for HIV and correlates among men who have sex with men: the China Real‐world Oral PrEP Demonstration study
Authors: Zhang Jing , Xu Jun‐Jie , Wang Hong‐Yi , Huang Xiao‐Jie , Chen Yao‐Kai , Wang Hui , Chu Zhen‐Xing , Hu Qing‐Hai , He Xiao‐Qing , Li Yao , Zhang Lu‐Kun , Hu Zhi‐Li , Bao Ran‐Tong , Li Shang‐Cao , Li Hang , Ding Hai‐Bo , Jiang Yong‐Jun , Geng Wen‐Qing , Sylvia Sean , Shang Hong ,   the CROPrEP Group
Published: February 2021

AbstractIntroductionThis study explores the preference for daily versus on‐demand pre‐exposure prophylaxis (PrEP) among men who have sex with men (MSM) in developing countries when both regimens are available.MethodsFrom 11 December 2018 to 19 October 2019, we recruited MSM for an open‐label real‐world PrEP demonstration study in four major cities in China. Subjects selected their preferred PrEP (oral tenofovir/emtricitabine) regimen (daily vs. on‐demand) at recruitment and underwent on‐site screening before initiation of PrEP. We used logistic regression to assess preference for daily PrEP and correlates.ResultsOf 1933 recruited MSM, the median age was 29 years, 7.6% was currently married to or living with a female; the median number of male sexual partners was four and 6.1% had used post‐exposure prophylaxis (PEP) in the previous six months. HIV infection risk was subjectively determined as very high (>75%) in 7.0% of subjects, high (50% to 75%) in 13.3%, moderate (25% to 49%) in 31.5% and low or none (0% to 24%) in 48.1%. On average, participants preferred on‐demand PrEP over daily PrEP (1104 (57.1%) versus 829 (42.9%)) at recruitment. In multivariable analysis, currently being married to or living with a female was associated with 14.6 percentage points lower preference for daily PrEP (marginal effect = −0.146 [95% CI: −0.230, −0.062], p = 0.001); whereas the number of male sexual partners (marginal effect = 0.003 [95% CI: 0.000, 0.005], p = 0.034) and a subjective assessment of being very high risk of HIV infection (vs. low and no risk, marginal effect size = 0.105 [95% CI: 0.012, 0.198], p = 0.027) were associated with increased preference for daily versus on‐demand PrEP. Among the 1933 potential participants, 721 (37.3%) did not attend the subsequent on‐site screening. Lower‐income, lower education level, lower subjective expected risk of HIV infection risk and younger age positively correlated with the absence of on‐site screening.ConclusionsMSM in China prefer both daily and on‐demand PrEP when both regimens are provided free. Social structural factors and subjective risk of HIV infection have significant impacts on PrEP preference and use. The upcoming national PrEP guideline should consider incorporating both regimens and the correlates to help implement PrEP in China.
SARS‐CoV‐2 infection affects the lower urinary tract and male genital system: A systematic review
Authors: Creta Massimiliano , Sagnelli Caterina , Celentano Giuseppe , Napolitano Luigi , La Rocca Roberto , Capece Marco , Califano Gianluigi , Calogero Armando , Sica Antonello , Mangiapia Francesco , Ciccozzi Massimo , Fusco Ferdinando , Mirone Vincenzo , Sagnelli Evangelista , Longo Nicola 
Published: February 2021

AbstractPubMed, Scopus, and ISI Web of Knowledge databases were searched to identify studies published up to December 2020 on the involvement of urinary and male genital systems in COVID‐19. Sixteen studies involving a total of 575 patients (538 males and 37 females) were included in this systematic review. The COVID‐19 phase was available for 479 patients: 426 in the acute and 53 in the recovery phase. De novo lower urinary tract symptoms (LUTS) were observed in 43 patients and deterioration of pre‐existing LUTS in 7. Bladder hemorrhage was observed in three patients and acute urinary retention in one. Regarding the male genital system, scrotal discomfort was observed in 8 patients, swelling in 14, pain in 16, and erythema in 1; low flow priapism was observed in 2 patients. Ultrasound examination identified acute orchitis in 10 patients, acute epididymitis in 7, and acute epididymo‐orchitis in 16. A case–control study reported that patients with moderate COVID‐19 show a significant reduction in sperm concertation, the total number of sperms per ejaculate, progressive motility, and complete motility. In contrast to what is known from the first studies on the subject, this review also includes subsequent studies that give evidence of the involvement of the lower urinary tract and male genital system in COVID‐19.
Two novel nomograms for predicting the risk of hospitalization or mortality due to COVID‐19 by the naïve Bayesian classifier method
Authors: Karaismailoglu Eda , Karaismailoglu Serkan 
Published: February 2021

AbstractCoronavirus disease 2019 (COVID‐19) has become a global pandemic that has affected millions of people worldwide. The presence of multiple risk factors for COVID‐19 makes it difficult to plan treatment and optimize the use of medical resources. The aim of this study is to determine potential risk factors for hospitalization or mortality in patients with COVID‐19 via two novel naive Bayesian nomograms. The publicly available COVID‐19 National data published by the Mexican Ministry of Health through the “Dirección General de Epidemiología” website was analyzed. Univariable logistic regression was utilized to identify potential risk factors that may affect hospitalization or mortality in patients with COVID‐19. The naïve Bayesian classifier method was implemented to predict nomograms. The nomograms were verified by the area under the receiver operating characteristic curve (AUC), classification accuracy (CA), F1 score, precision, recall, and calibration plot. A total of 979,430 patients (45.3 ± 15.9 years old, and 51.1% male) tested positive for COVID‐19 from January 1 to November 22, 2020. Among them, 22.3% of the patients required hospitalization and 99,964 patients (9.8%) died. The most important risk factors to predict the probability of hospitalization and mortality were pneumonia, age, chronic kidney failure, chronic obstructive respiratory disease, and diabetes. The performance measures demonstrated good discrimination and calibration (hospitalization: AUC = 0.896, CA = 0.880; mortality: AUC = 0.903, CA = 0.899). Two novel nomograms to estimate the risk of hospitalization and mortality were proposed, which could be used to facilitate individualized decision‐making for patients newly diagnosed with COVID‐19.
The high tolerance of different pomegranate cultivars to the excess of boron in irrigation water is due to their capacity to limit boron transport from the root to the leaves
Authors: Olmo‐Vega Antonio , Simón‐Grao Silvia , Simón Inmaculada , Alfosea‐Simón Marina , Martínez‐Nicolás Juan José , García‐Sánchez Francisco 
Published: February 2021

AbstractBackground: Presently, irrigation waters often have a high concentration of boron (B), and the fruit trees in the Mediterranean areas, in general, are exposed to a high risk of B toxicity.Aims: To test the hypothesis that pomegranate trees are very tolerant to the presence of B in the irrigation water, to elucidate the physiological mechanisms behind this tolerance, and to assess differences between different varieties.Methods: In this study, the physiological and nutritional behavior of three pomegranate cultivars (‘Mollar de Elche', ‘Valenciana', and ‘Wonderful'), treated with five B concentrations (0.25, 1.25, 2.5, 5.0, 10.0 mg L−1), were studied. At day 30 and 60 after the start of the treatments, growth measurements, gas exchange parameters and organic solutes were recorded.Results: Almost no significant differences were observed between the B treatments for any of the cultivars. Increasing the B concentration in the nutrient solution increased B concentrations in the leaves, but they never exceed 40 mg kg−1 of B. In the roots, however, B concentrations were very high, up to 400 mg kg−1.Conclusion: Pomegranate trees are very tolerant to B excess due to their ability to accumulate B in great quantities in the root, without causing toxicity to this part of the plant, thus limiting its transport to the shoots.