bluuebunny/crossref_metadata_2025_split huggingface dataset:
Neuromorphic Organic Devices that Specifically Discriminate Dopamine from Its Metabolites by Nonspecific Interactions
Authors: Giordani Martina , Sensi Matteo , Berto Marcello , Di Lauro Michele , Bortolotti Carlo Augusto , Gomes Henrique Leonel , Zoli Michele , Zerbetto Francesco , Fadiga Luciano , Biscarini Fabio 
Published: May 2020

AbstractSpecific detection of dopamine (DA) is achieved with organic neuromorphic devices with no specific recognition function in an electrolyte solution. The response to voltage pulses consists of amplitude‐depressed current spiking mimicking the short‐term plasticity (STP) of synapses. An equivalent circuit hints that the STP timescale of the device arises from the capacitance and resistance of the poly(3,4‐ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) in series with the electrolyte resistance. Both the capacitance and resistance of PEDOT:PSS change with solution compositions. Dose curves are constructed from the STP timescale for each DA metabolite from pM to mM range of concentrations. The STP response of DA is distinctive from the other metabolites even when differences are by one functional group. Both STP and sensitivity to DA are larger across the patho‐physiological range with respect to those to DA metabolites. Density functional theory calculations hint to a stronger hydrogen bond pattern of DA ammonium compared to cationic metabolites. The exponential correlation between STP and the binding energy of DA metabolites interacting with PEDOT:PSS indicates that the slow dynamics of ionic species in and out PEDOT:PSS is the origin of the neuromorphic STP. The sensing framework discriminates differences of nonspecific interactions of few kcal mol−1, corresponding to one functional group in the molecule.
Double Barriers for Moisture Degradation: Assembly of Hydrolysable Hydrophobic Molecules for Stable Perovskite Solar Cells with High Open‐Circuit Voltage
Authors: Guo Pengfei , Ye Qian , Liu Chen , Cao Fengren , Yang Xiaokun , Ye Linfeng , Zhao Wenhao , Wang Hongyue , Li Liang , Wang Hongqiang 
Published: May 2020

AbstractThe rapid growth in the device efficiency of perovskite solar cells (PSCs) has raised great demands for tackling their long‐term stability upon external environmental stimuli that restricts the commercialization of PSCs, in which the instability upon exposure to moisture has been one of the major obstacles. Herein, an effective way of building up double barriers for moisture degradation of the perovskite films is demonstrated by modifying them with rationally selected hydrolyzable hydrophobic molecules (1H,1H,2H,2H‐perfluorooctyl trichlorosilane, PFTS). The layer of oligomer derived from the hydrolyzed PFTS at the surface that increases the hydrophobicity of perovskite film could serve as an efficient wall preventing the moisture invasion. The long‐term exposure of the film upon moisture allows for the formation of a secondary wall that employs the hydrolyzation of PFTS at grain boundaries, favoring defects passivation to further improve the humidity stability. Such gradual hydrolyzation is encouragingly helpful for the enhancement of the open‐circuit voltage of the PSCs from the original 1.136 up to 1.205 V. The PSCs constructed with the double barriers demonstrate excellent stability upon moisture and improved thermal and light stabilities, as well as a champion power conversion efficiency up to 21.34%.
Efficient Photomodulation of Visible Eu(III) and Invisible Yb(III) Luminescences using DTE Photochromic Ligands for Optical Encryption
Authors: Al Sabea Hassan , Norel Lucie , Galangau Olivier , Roisnel Thierry , Maury Olivier , Riobé François , Rigaut Stéphane 
Published: May 2020

AbstractThis work describes a class of complex combining three dithienylethene units and a lanthanide ion used as an optical system displaying a double encryption method: i) a colorful code, drawn and erased under UV and visible irradiations respectively, due to coloration and discoloration of the photochromic entities, and ii) a concomitant gradual disappearance and progressive restoration of the associated lanthanide ion luminescence triggered with the same stimuli. The innovation of the system stems from the emission color tunability, i.e., with either a lanthanide ion emitting only in the visible range (Eu3+) or with another lanthanide ion emitting only in the near infrared (NIR) range (Yb3+), therefore observable, or not, to the naked eye. This system is the very first one to achieve efficient repeatable modulation of pure NIR luminescence on photochemical command. Furthermore, it is proven to be highly efficient when embedded in a PDMS polymer opening real opportunities for practical applications as anti‐counterfeiting.
Efficacy of amendments to improve soil physical properties at an abandoned lead and zinc mine
Authors: Alghamdi A. , Presley D.R. , Kirkham M.B. , Hettiarachchi G. 
Published: May 2020

AbstractRelatively little information exists for the long‐term soil physical characteristics of revegetated heavy‐metal mine wastes, particularly several years after reclamation. A large area mined for Pb and Zn from the 1870s to the 1970s is located in the central United States in the Tri‐State Mining District that extends across southeastern Kansas, southwestern Missouri, and northeastern Oklahoma. Seven treatments were established in 2006 on two different sites (called Site A and Site B) near the town of Galena, KS, to study the effect of soil amendments on heavy metal bioavailability. Treatments included a non‐amended control, two different rates of compost, and combinations of compost, lime, and bentonite. The soil physical properties were not measured in 2006. In November 2014, 8.5 yr after the addition of the amendments, the plots were resampled, and water content, bulk density, unsaturated hydraulic conductivity, and wet and dry aggregate stability were measured. Significant treatment effects of the amendments were observed 8.5 yr after treatment establishment, especially at Site B. The water content, bulk density, and hydraulic conductivity parameters had significant treatment differences at Site B, but no one treatment consistently improved soil physical properties. For the dry‐aggregate size distribution test, the control and high compost‐rate treatments at Site B had the greatest fraction of <0.84 mm dry aggregates, and the plots with bentonite had the least, indicating that plots with clay amendments might be most effective for controlling wind erosion for multiple years post‐reclamation.
Adapting the CROPGRO model to simulate chia growth and yield
Authors: Mack Laura , Boote Kenneth J. , Munz Sebastian , Phillips Timothy D. , Graeff‐Hönninger Simone 
Published: May 2020

AbstractChia (Salvia hispanica L.) seeds are becoming increasingly popular as a superfood in Europe. However, broad experience in growing chia in temperate climates is missing. Crop simulation models can be helpful tools for management and decision‐making in crop production systems in different regions. The objective of this study was to adapt the CROPGRO model for simulating growth and yield of chia. Data sets from a field experiment conducted over 2 yr in southwestern Germany (48°74′ N, 08°92′ E, 475 m above sea level) were used for model adaptation. The initial starting point was the CROPGRO–soybean [Glycine max (L.) Merr.] model as a template for parameterizing temperature functions and setting tissue composition. Considerable iterations were made in optimizing growth, development, and photosynthesis parameters. After model calibration, the simulation of leaf area index (LAI) was reasonable for both years, slightly over‐predicting LAI with an average d‐statistic of 0.95 and root mean square error (RMSE) of 0.53. Simulations of final leaf number were close to the observed data with d‐statistic of 0.98 and RMSE of 1.36. Simulations were acceptable for total biomass (d‐statistic of 0.93), leaf (d‐statistic of 0.94), stem (d‐statistic of 0.94), pod mass (d‐statistic of 0.89), and seed yield (d‐statistic of 0.88). Pod harvest index (HI) showed good model performance (d‐statistic of 0.96 and RMSE of 0.08). Overall, the model adaptation resulted in a preliminarily adapted model with realistically simulated crop growth variables. Researchers can use the developed chia model to extend knowledge on the eco‐physiology of chia and to improve its production and adaption to other regions.
Using Virtual Human Technology in Perioperative Team Training Simulations
Authors: Brunges Michele , Hughes Theresa E. 
Published: May 2020

ABSTRACTIncorporating virtual human (VH) technology into simulation programs for perioperative education and training can improve interdisciplinary teamwork and communication. The development of VHs allowed interdisciplinary teams at the University of Florida Health Shands Hospital to overcome obstacles during training, such as communication gaps. A multidisciplinary team that included perioperative leaders and quality specialists developed three scenarios for interdisciplinary training to provide participants with the opportunity to practice their communication skills and improve patient safety. Using validated tools to promote standardized communication, participants had to address patient safety concerns assertively during the simulations. After each simulation session, quality specialists conducted a debriefing, collected data via surveys, and identified areas for improvement. As a result of the VH simulation sessions, perioperative staff members reported increased confidence and competence when providing patient care. Using VHs to enhance education is an innovative strategy that is useful for both novice and experienced perioperative nurses.
Choose to reuse: Predictors of using a reusable hot drink cup
Authors: Novoradovskaya Elizaveta , Mullan Barbara , Hasking Penelope 
Published: May 2020

AbstractSustainable behaviours are important for the future of the planet. Exploring the psychological predictors of those behaviours can assist in developing efficient and cost‐effective interventions for people to acquire and maintain them. We explored potential predictors of using a reusable hot drink cup. Students and staff (n = 270) from a number of Australian universities answered questions addressing their past behaviour, intention to use a reusable cup, habit automaticity, intolerance of uncertainty, need for structure, conscientiousness and environmental values. One week later, participants retrospectively reported use of their reusable cup over the previous week. Results demonstrated that past behaviour and strength of environmental values significantly predicted the use of the cup. A trend was found for people unable to withstand uncertainty, where stronger habits were associated with greater use of the cup. These results can contribute to development of evidence‐based behaviour change interventions.
Cu/PCy3‐Catalyzed Formal Carbene Insertion into Electron‐Deficient C−H Bonds
Authors: Ren Yuan‐Yuan , Mao Hong‐Xiang , Hu Meng‐Yang , Zhu Shou‐Fei , Zhou Qi‐Lin 
Published: May 2020

AbstractA carbene insertion into electron‐deficient C−H bonds of 1,3‐diesters, β‐ketoesters, β‐ketonitriles, and malononitriles was realized by using CuCN/PCy3 as the catalyst. The reaction provides a straightforward approach to the synthetically important multi‐substituted succinic acid derivatives. A plausible reaction mechanism with cyclopropanation/ring opening as key steps was proposed based on control experiments.
Pd‐Catalyzed Site‐Selective Borylation of Simple Arenes via Thianthrenation†
Authors: Chen Xiao‐Yue , Huang Yu‐Hao , Zhou Jian , Wang Peng 
Published: May 2020

Summary of main observation and conclusionSite‐selective borylation of simple arenes was realized in one pot via an electrophilic thianthrenation/Pd‐catalyzed borylation sequence. The key to achieve this operatically simple process is the use of Pd catalysis, which could tolerate the solvent and acidic conditions used in the thianthrenation step. This protocol features mild conditions, broad functional group tolerance, and simple manipulations, and is suitable for late‐stage functionalization of a wide range of pharmaceuticals and complex bioactive molecules.
Prediction of Drug Exposure in Critically Ill Encephalopathic Neonates Treated With Therapeutic Hypothermia Based on a Pooled Population Pharmacokinetic Analysis of Seven Drugs and Five Metabolites
Authors: Favié Laurent M. A. , de Haan Timo R. , Bijleveld Yuma A. , Rademaker Carin M. A. , Egberts Toine C. G. , Nuytemans Debbie H. G. M. , Mathôt Ron A. A. , Groenendaal Floris , Huitema Alwin D. R. 
Published: May 2020

Drug dosing in encephalopathic neonates treated with therapeutic hypothermia is challenging; exposure is dependent on body size and maturation but can also be influenced by factors related to disease and treatment. A better understanding of underlying pharmacokinetic principles is essential to guide drug dosing in this population. The prospective multicenter cohort study PharmaCool was designed to investigate the pharmacokinetics of commonly used drugs in neonatal encephalopathy. In the present study, all data obtained in the PharmaCool study were combined to study the structural system specific effects of body size, maturation, recovery of organ function, and temperature on drug clearance using nonlinear mixed effects modeling. Data collected during the first 5 days of life from 192 neonates treated with therapeutic hypothermia were included. An integrated population pharmacokinetic model of seven drugs (morphine, midazolam, lidocaine, phenobarbital, amoxicillin, gentamicin, and benzylpenicillin) and five metabolites (morphine‐3‐glucuronide, morphine‐6‐glucuronide, 1‐hydroxymidazolam, hydroxymidazolam glucuronide, and monoethylglycylxylidide) was successfully developed based on previously developed models for the individual drugs. For all compounds, body size was related to clearance using allometric relationships and maturation was described with gestational age in a fixed sigmoidal Hill equation. Organ recovery after birth was incorporated using postnatal age. Clearance increased by 1.23%/hours of life (95% confidence interval (CI) 1.03–1.43) and by 0.54%/hours of life (95% CI 0.371–0.750) for high and intermediate clearance compounds, respectively. Therapeutic hypothermia reduced clearance of intermediate clearance compounds only, by 6.83%/°C (95% CI 5.16%/°C–8.34%/°C). This integrated model can be used to facilitate drug dosing and future pharmacokinetic studies in this population.
A comparative study on the size distribution and carbon components of particulate matters from typical sources
Authors: Zuo Lei , Mei Deqing , Yuan Yinnan , Zhu Zongning , Mei Congwei 
Published: May 2020

AbstractA comparative study on the size distribution and carbon component of particulate matter (PM) from four typical sources in Zhenjiang, China were carried out. Two raw PM cases were collected directly from the diesel/gasoline engine, individually, while another two diluted PM cases were gleaned from the atmosphere on particular venues concerning the contribution of diesel/gasoline PMs, respectively. It was revealed that the raw diesel/gasoline PMs presented mass concentration peaks at the size range of 0.18–0.32 μm, while most of the diluted PM from the atmosphere near the chimney vent of the engine laboratory and in the basement garage concentrated at the size range of 0.32–0.56 and 1.0–1.8 μm, respectively. Via the carbon component analysis, for the raw diesel PM, the major parts of OC fractions were determined as OC1, OC2 and OC3, meanwhile EC2 took the majority of EC. As for the diluted PM from the atmosphere, OC2, OC3 and OC4, and EC1 and EC2 accounted for the main parts of OC and EC, respectively. The rate of OC to EC (OC/EC) of the PMs from the diesel engine, near the laboratory chimney vent and in the basement garage varied in a range of 0.92–2.50, 1.40–2.53, and 2.36–4.82, respectively. It is worth noting that the OC/EC of the PM collected in the basement garage exceeded 2.0, which implies that a great deal of secondary particulates were generated. Overall, this article may assist to understand the possible evolution path of PM from the raw source to the diluted status.
High adsorption capacity of nitrobenzene from aqueous solution using activated carbons prepared from vegetable waste
Authors: Kecira Zoubida , Benturki Oumessaâd , Benturki Asma , Daoud Mounir , Girods Pierre 
Published: May 2020

AbstractThe present study reports the preparation of chemically activated carbons (PAC and ZAC) from apricot stones using phosphoric acid and zinc chloride, respectively. The potential use of the prepared carbons, as adsorbents, and the effect of chemical activation on the surface properties and adsorptive mechanism of nitrobenzene (NB) were investigated. The physicochemical properties of the obtained materials were characterized by Nitrogen adsorption–desorption isotherms, Scanning Electron Microscope, FTIR Spectroscopy, EDX analysis, Boehm titration, and pH of zero charge. The results show that the prepared samples present high apparent surface areas (1,382 and 1,111 m2/g for PAC and ZAC, respectively) and pores volumes with the presence of various functional groups. It was found that pseudo‐second model was the most suitable for the fitting of the experimental kinetic data and the intraparticle diffusion was not the unique rate‐controlling stage. The adsorption isotherms were well described by the Langmuir and the Freundlich models. According to the Langmuir model, the maximum adsorption capacity of PAC and ZAC were about 476.2 and 490.2 mg/g, respectively. The thermodynamic parameters showed the spontaneity, the exothermic nature, and the decrease in the randomness of the adsorption of nitrobenzene. Chemical regeneration showed that the prepared samples could be used for four time desorption–adsorption cycles with good efficiency for NB removal, indicating that the prepared carbons could be used as a low‐cost alternative to commercial activated carbon for the removal of nitrobenzene from wastewater.
Subclinical effects of long‐chain fatty acid β‐oxidation deficiency on the adult heart: A case‐control magnetic resonance study
Authors: Knottnerus Suzan J. G. , Bleeker Jeannette C. , Ferdinandusse Sacha , Houtkooper Riekelt H. , Langeveld Mirjam , Nederveen Aart J. , Strijkers Gustav J. , Visser Gepke , Wanders Ronald J. A. , Wijburg Frits A. , Boekholdt S. Matthijs , Bakermans Adrianus J. 
Published: May 2020

AbstractCardiomyopathy can be a severe complication in patients with long‐chain fatty acid β‐oxidation disorders (LCFAOD), particularly during episodes of metabolic derangement. It is unknown whether latent cardiac abnormalities exist in adult patients. To investigate cardiac involvement in LCFAOD, we used proton magnetic resonance imaging (MRI) and spectroscopy (1H‐MRS) to quantify heart function, myocardial tissue characteristics, and myocardial lipid content in 14 adult patients (two with long‐chain 3‐hydroxyacyl‐CoA dehydrogenase deficiency (LCHADD); four with carnitine palmitoyltransferase II deficiency (CPT2D); and eight with very long‐chain acyl‐CoA dehydrogenase deficiency (VLCADD)) and 14 gender‐, age‐, and BMI‐matched control subjects. Examinations included cine MRI, MR tagging, native myocardial T1 and T2 mapping, and localized 1H‐MRS at 3 Tesla. Left ventricular (LV) myocardial mass (P = .011) and the LV myocardial mass‐to‐volume ratio (P = .008) were higher in patients, while ejection fraction (EF) was normal (P = .397). LV torsion was higher in patients (P = .026), whereas circumferential shortening was similar compared with controls (P = .875). LV hypertrophy was accompanied by high myocardial T1 values (indicative of diffuse fibrosis) in two patients, and additionally a low EF in one case. Myocardial lipid content was similar in patients and controls. We identified subclinical morphological and functional differences between the hearts of LCFAOD patients and matched control subjects using state‐of‐the‐art MR methods. Our results suggest a chronic cardiac disease phenotype and hypertrophic LV remodeling of the heart in LCFAOD, potentially triggered by a mild, but chronic, energy deficiency, rather than by lipotoxic effects of accumulating lipid metabolites.
Features of enteric disease from human coronaviruses: Implications for COVID‐19
Authors: Cimolai Nevio 
Published: May 2020

AbstractCoronaviruses have long been studied in both human and veterinary fields. Whereas the initial detection of endemic human respiratory coronaviruses was problematic, detection of these and newly discovered human coronaviruses has been greatly facilitated with major advances in the laboratory. Nevertheless, technological factors can affect the accuracy and timeliness of virus detection. Many human coronaviruses can be variably found in stool samples. All human coronaviruses have been variably associated with symptoms of gastroenteritis. Coronaviruses can occasionally be cultured from enteric specimens, but most detection is accomplished with genetic amplification technologies. Excretion of viral RNA in stool can extend for a prolonged period. Culture‐positive stool samples have been found to exceed a fourteen day period after onset of infection for some coronaviruses. Virus can also sometimes be cultured from patients' respiratory samples during the late incubation period. Relatively asymptomatic patients may excrete virus. Both viable and nonviable virus can be found in the immediate environment of the patient, the health care worker, and less often the public. These lessons from the past study of animal and human coronaviruses can be extended to presumptions for severe acute respiratory syndrome coronavirus 2. Already, the early reports from the coronavirus disease‐2019 pandemic are confirming some concerns. These data have the cumulative potential to cause us to rethink some current and common public health and infection control strategies.
Structure and vibrational spectra of ReSe2 nanoplates
Authors: Yukhymchuk Volodymyr O. , Kulikov Leonid M. , Valakh Mykhailo Y. , Litvinchuk Alexander P. , Skoryk Mykola A. , Mazur Nazar V. , Yefanov Volodymyr S. , Selyshchev Oleksandr , Dzhagan Volodymyr M. , Zahn Dietrich R.T. 
Published: May 2020

AbstractTheoretical and experimental vibrational spectra of ReSe2 nanocrystals, synthesized by self‐limited chemical vapor deposition (CVD), are reported. Scanning electron microscopy reveals that the nanocrystals have the shape of polygon nanoplates (NPs), 20 nm thick and about 100–300 nm wide. X‐ray diffraction studies determined their triclinic structure (space group, P‐1 [no. 2]). The wavenumbers of the Raman‐ and infrared (IR)‐active phonon modes were calculated using the density functional perturbation theory (DFPT), along with the dispersion curves and phonon density of states. The set of theoretical phonon wavenumbers is found to correlate well with the experimental Raman and IR spectra. We established that, unlike ReS2, ReSe2 does not exhibit a “phonon gap.” Several “extra” bands in the experimental Raman spectrum of ReSe2 are argued to be defect‐induced contributions of phonons from F and Q critical points of the Brillouin zone. In addition, the effect of Fermi resonance is observed in the Raman spectrum of the ReSe2 NPs, which manifests itself in an increase of the intensity of second‐order bands due to their interaction with first‐order phonons.
Fast Beam Oscillations Improve Laser Cutting of Thick Materials
Authors: Wetzig Andreas , Herwig Patrick , Borkmann Madlen , Goppold Cindy , Mahrle Achim , Leyens Christoph 
Published: May 2020

AbstractWe provide here an overview of the capabilities of oscillating beams to improve solid‐state laser fusion cutting of thick‐sheet AISI 304 stainless steel and present results of the so‐called dynamic beam shaping (DBS) technique, which relies on fast and commonly harmonic oscillations of the laser focus at frequencies in the kHz range.