bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced Thermopower of Saturated Molecules by Noncovalent Anchor‐Induced Electron Doping of Single‐Layer Graphene Electrode
Authors: Park Sohyun , Kim Hwa Rang , Kim Juhee , Hong Byung‐Hee , Yoon Hyo Jae 
Published: August 2021

AbstractEnhancing thermopower is a key goal in organic and molecular thermoelectrics. Herein, it is shown that introducing noncovalent contact with a single‐layer graphene (SLG) electrode improves the thermopower of saturated molecules as compared to the traditional gold–thiolate covalent contact. Thermoelectric junction measurements with a liquid‐metal technique reveal that the value of Seebeck coefficient in large‐area junctions based on n‐alkylamine self‐assembled monolayers (SAMs) on SLG is increased up to fivefold compared to the analogous junction based on n‐alkanethiolate SAMs on gold. Experiments with Raman spectroscopy and field‐effect transistor analysis indicate that such enhancements benefit from the creation of new in‐gap states and electron doping through noncovalent interaction between the amine anchor and the SLG electrode, which leads to a reduced energy offset between the Fermi level and the transport channel. This work demonstrates that control of interfacial bonding nature in molecular junctions improves the Seebeck effect in saturated molecules.
Ultrathin PdAuBiTe Nanosheets as High‐Performance Oxygen Reduction Catalysts for a Direct Methanol Fuel Cell Device
Authors: Zhao Fengling , Zheng Lirong , Yuan Qiang , Yang Xiaotong , Zhang Qinghua , Xu Han , Guo Yuanlong , Yang Song , Zhou Zhiyou , Gu Lin , Wang Xun 
Published: September 2021

AbstractUltrathin 2D metal nanostructures have sparked a lot of research interest because of their improved electrocatalytic properties for fuel cells. So far, no effective technique for preparing ultrathin 2D Pd‐based metal nanostructures with more than three compositions has been published. Herein, a new visible‐light‐induced template technique for producing PdAuBiTe alloyed 2D ultrathin nanosheets is developed. The mass activity of the PdAuBiTe nanosheets against the oxygen reduction reaction (ORR) is 2.48 A mgPd−1, which is 27.5/17.7 times that of industrial Pd/C/Pt/C, respectively. After 10 000 potential cyclings, there is no decrease in ORR activity. The PdAuBiTe nanosheets exhibit high methanol tolerance and in situ anti‐CO poisoning properties. The PdAuBiTe nanosheets, as cathode electrocatalysts in direct methanol fuel cells, can thus give significant improvement in terms of power density and durability. In O2/air, the power density can be increased to 235.7/173.5 mW cm−2, higher than that reported in previous work, and which is 2.32/3.59 times higher than Pt/C.
Ambulatory Cardiovascular Monitoring Via a Machine‐Learning‐Assisted Textile Triboelectric Sensor
Authors: Fang Yunsheng , Zou Yongjiu , Xu Jing , Chen Guorui , Zhou Yihao , Deng Weili , Zhao Xun , Roustaei Mehrdad , Hsiai Tzung K. , Chen Jun 
Published: September 2021

AbstractWearable bioelectronics for continuous and reliable pulse wave monitoring against body motion and perspiration remains a great challenge and highly desired. Here, a low‐cost, lightweight, and mechanically durable textile triboelectric sensor that can convert subtle skin deformation caused by arterial pulsatility into electricity for high‐fidelity and continuous pulse waveform monitoring in an ambulatory and sweaty setting is developed. The sensor holds a signal‐to‐noise ratio of 23.3 dB, a response time of 40 ms, and a sensitivity of 0.21 µA kPa−1. With the assistance of machine learning algorithms, the textile triboelectric sensor can continuously and precisely measure systolic and diastolic pressure, and the accuracy is validated via a commercial blood pressure cuff at the hospital. Additionally, a customized cellphone application (APP) based on built‐in algorithm is developed for one‐click health data sharing and data‐driven cardiovascular diagnosis. The textile triboelectric sensor enabled wireless biomonitoring system is expected to offer a practical paradigm for continuous and personalized cardiovascular system characterization in the era of the Internet of Things.
Ultrasensitive Detection of Dopamine, IL‐6 and SARS‐CoV‐2 Proteins on Crumpled Graphene FET Biosensor
Authors: Hwang Michael Taeyoung , Park Insu , Heiranian Mohammad , Taqieddin Amir , You Seungyong , Faramarzi Vahid , Pak Angela A. , van der Zande Arend M. , Aluru Narayana R. , Bashir Rashid 
Published: August 2021

AbstractUniversal platforms for biomolecular analysis using label‐free sensing modalities can address important diagnostic challenges. Electrical field effect‐sensors are an important class of devices that can enable point‐of‐care sensing by probing the charge in the biological entities. Use of crumpled graphene for this application is especially promising. It is previously reported that the limit of detection (LoD) on electrical field effect‐based sensors using DNA molecules on the crumpled graphene FET (field‐effect transistor) platform. Here, the crumpled graphene FET‐based biosensing of important biomarkers including small molecules and proteins is reported. The performance of devices is systematically evaluated and optimized by studying the effect of the crumpling ratio on electrical double layer (EDL) formation and bandgap opening on the graphene. It is also shown that a small and electroneutral molecule dopamine can be captured by an aptamer and its conformation change induced electrical signal changes. Three kinds of proteins were captured with specific antibodies including interleukin‐6 (IL‐6) and two viral proteins. All tested biomarkers are detectable with the highest sensitivity reported on the electrical platform. Significantly, two COVID‐19 related proteins, nucleocapsid (N‐) and spike (S‐) proteins antigens are successfully detected with extremely low LoDs. This electrical antigen tests can contribute to the challenge of rapid, point‐of‐care diagnostics.
Cold‐Aging and Solvent Vapor Mediated Aggregation Control toward 18% Efficiency Binary Organic Solar Cells
Authors: Guo Chuanhang , Li Donghui , Wang Liang , Du Baocai , Liu Zhi‐Xi , Shen Ziqiu , Wang Pang , Zhang Xue , Cai Jinlong , Cheng Shili , Yu Cong , Wang Hui , Liu Dan , Li Chang‐Zhi , Wang Tao 
Published: August 2021

AbstractThe molecular ordering and pre‐aggregation of photovoltaic materials in solution can significantly affect the nanoscale morphology in solid photoactive layers, and play a vital role in determining the power conversion efficiency (PCE) of organic solar cells (OSCs). Herein, a cold‐aging strategy is reported to mediate the pre‐aggregation of PM6 polymer in solution through a disorder‐order transition, which leads to dense and fine PM6 aggregates with enhanced π−π stacking in its blend thin films with either fused‐ring and non‐fused‐ring non‐fullerene acceptors (NFAs) including Y6‐BO, N3, IT‐4F, and PTIC. The fine aggregates of PM6 and slightly enlarged NFA domains improve the continuous networks with enhanced and balanced charge mobility. The resulting OSCs all demonstrate enhanced PCEs compared to their counterparts without any cold‐aging treatments, with PM6:Y6‐BO OSC being most effective from 16.6% to 17.7%, demonstrating the universality of this approach. This can be further optimized upon casting of the cold‐aging solution with the presence of solvent vapor, resulting in a champion PCE of 18.0% for PM6:Y6‐BO OSC, which is the highest PCE of this OSC reported in the literature. This work provides a rational guide for optimizing non‐fullerene OSCs via aggregation control before and during the solution casting process.
Spreading of point‐source liquid spills in a thin rectangular packed bed under simulated marine conditions
Authors: Liu Wei , Larachi Faïçal , Chu Guang‐Wen , Luo Yong , Taghavi Seyed Mohammad 
Published: September 2021

AbstractTwo‐dimensional visualizations of point‐source liquid spills in porous media were performed in a flat rectangular packed bed, emplaced on a robotized hexapod, to emulate roll/pitch marine oscillations. The extent to which the directional modulation of liquid gravity and the moving‐bed inertial forces affect the liquid spills was the study's central aim. Spill morphology deviations were dictated by gravity force oscillations, while Coriolis/Euler/centrifugal forces were confined to secondary roles. Multiple gravity‐driven liquid branching with departures from the longitudinal direction, not only boosted wetting but also symmetrized the developing spills while suppressing the wall‐biased liquid influx, which impaired inclined beds. Wetting exhibited asymmetric sigmoidal deceleratory transients, reminiscent of many physicochemical transformations with skewed activation energy distribution. The parameters describing the dispersive kinetics and allied activation energy distribution of wetting—analogized to a phase change transition—were interpreted in terms of hexapod kinematic parameters.
The burden of pathogenic variants in clinically actionable genes in a founder population
Authors: Lynch Megan T. , Maloney Kristin A. , Pollin Toni I. , Streeten Elizabeth A. , Xu Huichun ,   Regeneron Genetics Center, Shuldiner Alan R. , Van Hout Cristopher V. , Gonzaga‐Jauregui Claudia , Mitchell Braxton D. 
Published: September 2021

AbstractFounder populations may be enriched with certain genetic variants of high clinical impact compared to nonfounder populations due to bottleneck events and genetic drift. Using exome sequencing (ES), we quantified the load of pathogenic variants that may be clinically actionable in 6136 apparently healthy adults living in the Lancaster, PA Old Order Amish settlement. We focused on variants in 78 genes deemed clinically actionable by the American College of Medical Genetics and Genomics (ACMG) or Geisinger's MyCode Health Initiative. ES revealed 3191 total variants among these genes including 480 nonsynonymous variants. After quality control and filtering, we applied the ACMG/AMP guidelines for variant interpretation and classified seven variants, across seven genes, as either pathogenic or likely pathogenic. Through genetic drift, all seven variants, are highly enriched in the Amish compared to nonfounder populations. In total, 14.7% of Lancaster Amish individuals carry at least one of these variants, largely explained by the 13% who harbor a copy of a single variant in APOB. Other studies report combined frequencies of pathogenic/likely pathogenic (P/LP) variants in actionable genes between 2.0% and 6.2% in outbred populations. The Amish population harbors fewer actionable variants compared to similarly characterized nonfounder populations but have a higher frequency of each variant identified, offering opportunities for efficient and cost‐effective targeted precision medicine.
Injection‐stretch blow molding of poly (lactic acid)/polybutylene succinate blends for the manufacturing of bottles
Authors: Aversa Clizia , Barletta Massimiliano , Gisario Annamaria , Prati Rosa , Vesco Silvia 
Published: August 2021

AbstractThe stretch blow molding process of plastic preforms is widely used for the manufacturing of bottles in numerous market sectors, with high production volumes and low unit costs. In the sector of alcoholic beverages and, in particular, of wine, plastic bottles are used sporadically. Glass bottles or other economic solutions such as laminated cardboard containers or so‐called bag‐in‐boxes are regularly preferred. However, the high ease of use, lightness, recyclability and low cost of plastic materials are the main reasons that are fueling interest especially in wine producers. Poly (ethylene terephthalate) bottles have recently been introduced to the market, although their success has been limited by poor gas impermeability and above all by their recognized high environmental footprint. Barrier can be improved by oxygen scavenger and plasma coating. Environmental footprint is rather low when recycled but that is not well possible with scavenger. Bioplastic materials offer an interesting alternative to fossil‐based plastics, combining most of their technical advantages with a lower environmental impact. However, they are more expensive and complex to process. In addition, mechanical and barrier properties are often less than for conventional polymers. In this work, therefore, the development of bioplastic bottles with low gas permeation by stretch blow molding was studied. Poly (lactic acid)‐polybutylene succinate blends have been modified by adding additives that obstruct the passage of gaseous molecules through the wall of the bottle. The studies have in particular concerned the extrusion and characterization of bioplastic compounds, the injection molding of preforms, and the blowing of bottles. The results obtained showed that it is possible to obtain low permeation bioplastic bottles, which are an ecological alternative to conventional solutions for packaging.
Dielectric relaxation study of poly (ether imide) by thermally stimulated depolarization currents
Authors: Diogo Hermínio P. , Moura Ramos Joaquim J. 
Published: August 2021

AbstractThis work presents a detailed study, by thermostimulated depolarization currents, of the molecular mobility of poly (ether imide) in a broad temperature range covering the amorphous solid state, the glass transition, and the rubber state. Taking advantage of the very wide distribution of motional modes of the PEI glass transition (the broadest of all known glass formers), we carried out an in‐depth study of physical aging involving different modes, which provided a more comprehensive view of the aging process. We also analyzed in detail the mobility below Tg where, in addition to the fast secondary relaxation, we identified a Johari–Goldstein. In the rubber state, on the other hand, we detected a mobility but showed that it corresponds to space charge motions rather to dipolar reorientations.
Polarised Optical Emission from Organic Anisotropic Microoptical Waveguides Grown by Ambient Pressure Vapour‐deposition
Authors: Tardío Carlos , Pradeep Vuppu Vinay , Martín Raúl , Rodríguez Ana M. , de la Hoz Antonio , Jada Ravi , Annadhasan Mari , Prieto Pilar , Chandrasekar Rajadurai 
Published: September 2021

AbstractAmbient pressure chemical vapour deposition of 5,5′‐bis((2‐(trifluoromethyl)phenyl)ethynyl)‐2,2′‐bithiophene provides ultrapure needle‐shaped crystals. The crystal‘s supramolecular structure consists of an array of hydrogen bonds and π‐π interactions leading to anisotropic arrangements. The cyan emitting crystals exhibit an optical waveguiding tendency with guided polarised optical emissions due to anisotropic molecular arrangements.
No developmental toxicity observed with dolutegravir in rat whole embryo culture
Authors: Posobiec Lorraine M. , Chapman Sharon P. , Murzyn Stacia F. , Rendemonti Joyce E. , Stanislaus Dinesh J. , Romach Elizabeth H. 
Published: August 2021

AbstractBackgroundAn in vitro rat whole embryo culture study investigated whether direct exposure to dolutegravir (TivicayTM) during the critical period for neural tube development would result in abnormal development.MethodsDolutegravir (DTG), and HIV integrase inhibitor, was administered at 0 (vehicle), 5.3 μg/mL and 9.3 μg/mL on Gestation Day (GD) 9 through 11 (approximate 40 hour exposure period) along with positive (Valproic Acid) and negative (Penicillin G) controls. The DTG concentrations tested were selected based on clinical exposure at the maximum human recommended dose and maximum feasible concentration that could be formulated under the experimental conditions.ResultsApproximately 6% of DTG present in the culture media was absorbed into the embryos, demonstrating embryonic exposure at a similar level to that observed in a rat DTG placental transfer study. There was no effect in either the DTG or Penicillin G groups on visceral yolk sac size/morphology, embryo size, somite number and embryo morphology at any concentration tested. Valproic Acid, by contrast, produced statistically significant decreases in visceral yolk sac size, embryo size and somite number along with defects in visceral yolk sac and embryonic morphology, including neural tube defects (NTDs), in all embryos.ConclusionDTG at the maximum human recommended dose administered to rats in a whole embryo culture assay did not produce any abnormal effects, while the positive control Valproic Acid produced abnormal effects, including neural tube defects.
Digitaler Betonbau durch additive Verfahren – Sachstand und Forschungsbedarf
Authors: Mechtcherine Viktor , Dreßler Inka , Empelmann Martin , Gehlen Christoph , Glock Christian , Kuhn Alexander , Lanwer Jan Paul , Lowke Dirk , Müller Steffen , Neef Tobias , Nerella Venkatesh Naidu , Stephan Dietmar , Vasilic Ksenija , Weger Daniel , Wiens Udo 
Published: September 2021

AbstractDie digitale Fertigung mit Beton (DFB) ist ein sich überaus dynamisch entwickelndes Gebiet; insbesondere in den letzten fünf Jahren konnten bemerkenswerte Fortschritte erzielt werden. Die Vielfalt der verwendeten Ansätze und damit verbundenen Möglichkeiten und Herausforderungen ist überwältigend. Dieser Beitrag bietet einen kritischen Überblick über den aktuellen Sachstand auf diesem Gebiet der DFB, mit Fokus auf die additiven Fertigungsverfahren mit Beton (auch 3D‐Betondruck genannt) und formuliert den bestehenden Forschungsbedarf. Neben einer Reflektion zum internationalen Stand der Entwicklung von 3D‐Betondruckverfahren wird ein Klassifizierungsrahmen für DFB‐Verfahren vorgestellt und die wichtigsten Begriffe definiert. Anschließend befassen sich die Autoren mit der zugehörigen Materialprüfung von druckbarem bzw. gedrucktem frischem, erhärtendem und erhärtetem Beton. Einen weiteren Schwerpunkt bilden die Beschreibung der geeigneten Bewehrungsarten und die Klassifizierung der technologischen Lösungsansätze zur Integration der Bewehrung in DFB‐Prozesse. Schließlich werden die Besonderheiten der Konstruktion und die Bemessung von additiv gefertigten Bauteilen dargelegt und diskutiert.
Selective LC–MS/MS determination of citalopram enantiomers and application to a pharmacokinetic evaluation of generic and reference formulations
Authors: de Sousa Carlos Eduardo Miranda , Bedor Noely Camila Tavares Cavalcanti , Sousa Giovana Damasceno , de Oliveira Guilherme Henrique Onório , Leal Leila Bastos , Bedor Danilo Cesar Galindo , de Castro Whocely Victor , de Santana Davi Pereira 
Published: September 2021

AbstractTwo methods using LC–MS/MS were validated to quantify citalopram (CTP) racemate [(R/S)‐CTP] and the enantiomers (R)‐CTP and (S)‐CTP in human plasma, respectively. Paroxetine hydrochloride was used as the internal standard, and samples were extracted by protein precipitation with acetonitrile. The non‐enantioselective method was conducted using a C18 column, and the mobile phase consisted of water for solvent A and acetonitrile for solvent B, both with 0.1% formic acid. For the chiral method, an analytical column Lux Cellulose‐1 was used. Mobile phase A was composed of water with 0.025% of formic acid and 0.05% of diethylamine, and mobile phase B consisted of acetonitrile:2‐propanol (95:5, v/v). No significant matrix effects were observed at the retention times of analytes and internal standard. The mean recovery was 89%, and the assays were linear in the concentration range of 1–50 and 5–30 ng/mL for the non‐enantioselective and enantioselective methods, respectively. The intra‐ and inter‐day precisions of both methods were less than 12.30%, and the accuracies were less than 12.13%. The validated methods were successfully applied to a pharmacokinetic study in which 20‐mg CTP tablets were administered to healthy volunteers, and their plasma levels were monitored over time in a bioequivalence study.Highlights

Simple and rapid LC–MS/MS method for the quantification of citalopram and its enantiomers in human plasma.
Both methods were demonstrated to be selective, reliable, and sensitive.
Both methods have sufficient sensitivity to quantify the steady state through concentrations already reported for citalopram and escitalopram.
Validated method presented in this study can be suitably applied to pharmacokinetic studies involving citalopram and escitalopram.
Bland–Altman analysis suggested that non‐enantioselective and enantioselective methods can be applied in pharmacokinetic studies.
The role of deep learning‐based survival model in improving survival prediction of patients with glioblastoma
Authors: Moradmand Hajar , Aghamiri Seyed Mahmoud Reza , Ghaderi Reza , Emami Hamid 
Published: August 2021

AbstractThis retrospective study has been conducted to validate the performance of deep learning‐based survival models in glioblastoma (GBM) patients alongside the Cox proportional hazards model (CoxPH) and the random survival forest (RSF). Furthermore, the effect of hyperparameters optimization methods on improving the prediction accuracy of deep learning‐based survival models was investigated. Of the 305 cases, 260 GBM patients were included in our analysis based on the following criteria: demographic information (i.e., age, Karnofsky performance score, gender, and race), tumor characteristic (i.e., laterality and location), details of post‐surgical treatment (i.e., time to initiate concurrent chemoradiation therapy, standard treatment, and radiotherapy techniques), and last follow‐up time as well as the molecular markers (i.e., O‐6‐methylguanine methyltransferase and isocitrate dehydrogenase 1 status). Experimental results have demonstrated that age (Elderly > 65: hazard ratio [HR] = 1.63; 95% confidence interval [CI]: 1.213–2.18;pvalue = 0.001) and tumors located at multiple lobes ([HR] = 1.75; 95% [CI]: 1.177–2.61;pvalue = 0.006) were associated with poorer prognosis. In contrast, age (young < 40: [HR] = 0.57; 95% [CI]: 0.343–0.96;pvalue = 0.034) and type of radiotherapy (others include stereotactic and brachytherapy: [HR] = 0.5; 95%[CI]: 0.266–0.95;pvalue = 0.035) were significantly related to better prognosis. Furthermore, the proposed deep learning‐based survival model (concordance index [c‐index] = 0.823 configured by Bayesian hyperparameter optimization), outperformed the RSF (c‐index = 0.728), and the CoxPH model (c‐index = 0.713) in the training dataset. Our results show the ability of deep learning in learning a complex association of risk factors. Moreover, the remarkable performance of the deep‐learning‐based survival model could be promising to support decision‐making systems in personalized medicine for patients with GBM.
A Template‐Engaged, Self‐Doped Strategy to N‐Doped Hollow Carbon Nanoboxes for Zinc‐Ion Hybrid Supercapacitors
Authors: Chen Guoxian , Hu Zhiwei , Zhang Jie , Su Huiqiang , Wang Dewei 
Published: September 2021

AbstractHeteroatom doped hollow nanocarbons have attracted tremendous research interests owing to their distinct structural features. Nevertheless, the low specific surface area, less developed microporosity, thick carbon walls, and low heteroatom contents severely limits its further application. Herein, a facile, tunable template route has been developed for the synthesis of N‐doped hollow carbon nanoboxes (N‐HCNbs) by employing polyvinylpyrrolidone, micron‐sized magnesium oxide, and potassium bicarbonate as carbon precursor, template, and activator, respectively. Through optimizing the template content, N‐HCNbs with large specific surface area (1660.2 m2 ⋅ g−1), well‐developed micropores (83.6 %), and high heteroatom contents can be obtained. Significantly, the ultrathin carbon walls (8–10 nm) can further accelerate the diffusion kinetics which endow N‐HCNbs a good cathode for Zn‐ion hybrid supercapacitors (ZHSCs). The resulting ZHSCs device can deliver a high specific capacity of 136.2 mAh ⋅ g−1 at 0.2 A ⋅ g−1, excellent rate performance (49 % of capacity retention at 50 A ⋅ g−1) and ultralong cycling life over 24000 cycles. This work offers an efficient protocol for heteroatom doped hollow nanocarbons for electrochemical energy storage application.