bluuebunny/crossref_metadata_2025 huggingface dataset:
Ultraselective and Highly Permeable Polyamide Nanofilms for Ionic and Molecular Nanofiltration
Authors: Sarkar Pulak , Modak Solagna , Karan Santanu
Published: October 2020

Membranes with ultrahigh ion selectivity and high liquid permeance are needed to produce high‐quality product water with increased recovery and process efficiency in water desalination. The narrow pore size distribution and controlled surface charge in the separation layer of nanofiltration membranes significantly improve the ion selectivity through molecular sieving and Donnan exclusion of co‐ions. Here, the ultraselective and yet highly water permeable polyamide nanofilm composite nanofiltration membranes developed by precisely controlling the kinetics of the interfacial polymerization reaction by maintaining the stoichiometric equilibrium at the interface is reported. The kinetically favorable stoichiometric equilibrium condition prohibits the formation of aggregate pores in the nanofilm and leads to the formation of narrow network pores with a high surface negative charge. Nanofilms are designed with a controlled degree of crosslinking and made as thin as ≈7 nm to achieve increased water permeance. The ultraselective membranes exhibit up to 99.99% rejection of divalent salt (Na2SO4) and demonstrate monovalent to divalent ion selectivity of >4000. The selectivity of these nanofilm composite membranes is beyond the permeance–selectivity upper‐bound line of the state‐of‐the‐art nanofiltration membranes and one to two orders of magnitude higher than the commercially available membranes with pure water permeances of up to 23 L m−2 h−1 bar−1. The fabrication process is scalable for membrane manufacturing.
An NIR‐II‐Emissive Photosensitizer for Hypoxia‐Tolerant Photodynamic Theranostics
Authors: Li Lanqing , Shao Chen , Liu Tao , Chao Zhicong , Chen Huanle , Xiao Fan , He Huamei , Wei Zixiang , Zhu Yulin , Wang Huan , Zhang Xindan , Wen Yating , Yang Bing , He Feng , Tian Leilei
Published: October 2020

As a common feature in a majority of malignant tumors, hypoxia has become the Achilles’ heel of photodynamic therapy (PDT). The development of type‐I photosensitizers that show hypoxia‐tolerant PDT efficiency provides a straightforward way to address this issue. However, type‐I PDT materials have rarely been discovered. Herein, a π‐conjugated molecule with A–D–A configuration, COi6‐4Cl, is reported. The H2O‐dispersible nanoparticle of COi6‐4Cl can be activated by an 880 nm laser, and displays hypoxia‐tolerant type I/II combined PDT capability, and more notably, a high NIR‐II fluorescence with a quantum yield over 5%. Moreover, COi6‐4Cl shows a negligible photothermal conversion effect. The non‐radiative decay of COi6‐4Cl is suppressed in the dispersed and aggregated state due to the restricted molecular vibrations and distinct intermolecular steric hindrance induced by its four bulky side chains. These features make COi6‐4Cl a distinguished single‐NIR‐wavelength‐activated phototheranostic material, which performs well in NIR‐II fluorescence‐guided PDT treatment and shows an enhanced in vivo anti‐tumor efficiency over the clinically approved Chlorin e6, by the equal stresses on hypoxia‐tolerant anti‐tumor therapy and deep‐penetration imaging. Therefore, the great potential of COi6‐4Cl in precise PDT cancer therapy against hypoxia challenges is demonstrated.
Atomic Nanoarchitectonics for Catalysis
Authors: Chen Guoping , Sciortino Flavien , Ariga Katsuhiko
Published: October 2020

Useful materials and energies from given materials including petroleum, minerals, biomass, and solar lights are obtained through various conversions. In most cases, efficient and specific conversions are supported by catalysts. Especially, nanotechnological structural analyses and regulation are important subjects in research approaches for advanced catalysts. Catalyst fabrication and functions based on atomic‐ and nanoscale‐level nanoarchitectonics approach are introduced in this progress report. Some of them are categorized as a hot subject: single atom catalysts. In order to show generalities and possibilities of catalyst designs by nanolevel structural regulations, several nanoarchitected catalysts are first exemplified. In the following sections, hot topics on atomically controlled catalysts designs are discussed with classification of i) site‐arrangement nanoarchitectonics, ii) multiatom arrangement nanoarchitectonics, and iii) hierarchical nanoarchitectonics.
Retraction: Ordered Mesoporous Ag–ZnO@g‐CN Nanohybrid as Highly Efficient Bifunctional Sensing Material
Authors: Malik Ritu , Tomer Vijay K. , Kienle Lorenz , Chaudhary Vandna , Nehra Satyapal , Duhan Surender
Published: October 2020

Adv. Mater. Interfaces 2018, 5, 1701357

The above article from Advanced Materials Interfaces, published online on February 5, 2018 in Wiley Online Library (https://doi.org/10.1002/admi.201701357) has been retracted by agreement between the authors, the acting Editor‐in‐Chief José Oliveira, and Wiley‐VCH Verlag GmbH. The Editor was contacted by some of the co‐authors, who have expressed their doubts over the legitimacy of certain data and expressed the wish to withdraw their authorship. All researchers have agreed to the retraction.

The retraction has been agreed because errors were identified concerning the SAXS data in Figure 1A (c,d,e) and concerning the TEM images in Figures 3a,e. These figures show strong similarities with figures published elsewhere in a different scientific context. The corresponding author has acknowledged that accidentally wrong TEM images have been used and has repeated the SAXS measurements.

The retraction was decided after thorough investigation and consultation of scientific experts who concluded that the data is flawed and requested to retract the article.
Artificial Intelligence and Machine Learning Empower Advanced Biomedical Material Design to Toxicity Prediction
Authors: Singh Ajay Vikram , Rosenkranz Daniel , Ansari Mohammad Hasan Dad , Singh Rishabh , Kanase Anurag , Singh Shubham Pratap , Johnston Blair , Tentschert Jutta , Laux Peter , Luch Andreas
Published: October 2020

Materials at the nanoscale exhibit specific physicochemical interactions with their environment. Therefore, evaluating their toxic potential is a primary requirement for regulatory purposes and for the safer development of nanomedicines. In this review, to aid the understanding of nano–bio interactions from environmental and health and safety perspectives, the potential, reality, challenges, and future advances that artificial intelligence (AI) and machine learning (ML) present are described. Herein, AI and ML algorithms that assist in the reporting of the minimum information required for biomaterial characterization and aid in the development and establishment of standard operating procedures are focused. ML tools and ab initio simulations adopted to improve the reproducibility of data for robust quantitative comparisons and to facilitate in silico modeling and meta‐analyses leading to a substantial contribution to safe‐by‐design development in nanotoxicology/nanomedicine are mainly focused. In addition, future opportunities and challenges in the application of ML in nanoinformatics, which is particularly well‐suited for the clinical translation of nanotherapeutics, are highlighted. This comprehensive review is believed that it will promote an unprecedented involvement of AI research in improvements in the field of nanotoxicology and nanomedicine.
Attention‐deficit/hyperactivity disorder symptoms and dietary habits in adulthood: A large population‐based twin study in Sweden
Authors: Li Lin , Taylor Mark J. , Bälter Katarina , Kuja‐Halkola Ralf , Chen Qi , Hegvik Tor‐Arne , Tate Ashley E. , Chang Zheng , Arias‐Vásquez Alejandro , Hartman Catharina A. , Larsson Henrik
Published: October 2020

Associations between adult attention‐deficit/hyperactivity disorder (ADHD) symptoms and dietary habits have not been well established and the underlying mechanisms remain unclear. We explored these associations using a Swedish population‐based twin study with 17,999 individuals aged 20–47 years. We estimated correlations between inattention and hyperactivity/impulsivity with dietary habits and fitted twin models to determine the genetic and environmental contributions. Dietary habits were defined as (a) consumption of food groups, (b) consumption of food items rich in particular macronutrients, and (c) healthy and unhealthy dietary patterns. At the phenotypic level, inattention was positively correlated with seafood, high‐fat, high‐sugar, high‐protein food consumptions, and unhealthy dietary pattern, with correlation coefficients ranging from 0.03 (95%CI: 0.01, 0.05) to 0.13 (95% CI: 0.11, 0.15). Inattention was negatively correlated with fruits, vegetables consumptions and healthy dietary pattern, with correlation coefficients ranging from −0.06 (95%CI: −0.08, −0.04) to −0.07 (95%CI: −0.09, −0.05). Hyperactivity/impulsivity and dietary habits showed similar but weaker patterns compared to inattention. All associations remained stable across age, sex and socioeconomic status. Nonshared environmental effects contributed substantially to the correlations of inattention (56–60%) and hyperactivity/impulsivity (63–80%) with dietary habits. The highest and lowest genetic correlations were between inattention and high‐sugar food (rA = .16, 95% CI: 0.07, 0.25), and between hyperactivity/impulsivity and unhealthy dietary pattern (rA = .05, 95% CI: −0.05, 0.14), respectively. We found phenotypic and etiological overlap between ADHD and dietary habits, although these associations were weak. Our findings contribute to a better understanding of common etiological pathways between ADHD symptoms and various dietary habits.
Base‐Promoted Regiospecific Synthesis of Fully Substituted 1,2,3‐Triazoles and 1,5‐Disubstituted 1,2,3‐Triazoles
Authors: Zhang Xueying , Cui Xue , Wang Wei , Zeng Tingting , Wang Yan , Tan Yinfeng , Liu Dongyan , Wang Xuesong , Li Youbin
Published: October 2020

An efficient strategy have been developed for the synthesis of fully substituted 1,2,3‐triazoles and 1,5‐disubstituted 1,2,3‐triazoles subsequently by C−C bond cleavage. Regitz diazo‐transfer and C−C bond cleavage process were involved in this reaction to give 1,2,3‐triazoles with good substrate tolerance. This protocol provideed a facile and an expeditious approach for the assembly of diversely structural 1,2,3‐triazoles.
Vascular contributions to cognitive impairment and dementia (VCID): A report from the 2018 National Heart, Lung, and Blood Institute and National Institute of Neurological Disorders and Stroke Workshop
Authors: Zlokovic Berislav V. , Gottesman Rebecca F. , Bernstein Kenneth E. , Seshadri Sudha , McKee Ann , Snyder Heather , Greenberg Steven M. , Yaffe Kristine , Schaffer Chris B. , Yuan Chun , Hughes Timothy M. , Daemen Mat J. , Williamson Jeff D. , González Hector M. , Schneider Julie , Wellington Cheryl L. , Katusic Zvonimir S. , Stoeckel Luke , Koenig James I. , Corriveau Roderick A. , Fine Lawrence , Galis Zorina S. , Reis Jared , Wright Jacqueline D. , Chen Jue
Published: October 2020

Vascular contributions to cognitive impairment and dementia (VCID) are characterized by the aging neurovascular unit being confronted with and failing to cope with biological insults due to systemic and cerebral vascular disease, proteinopathy including Alzheimer's biology, metabolic disease, or immune response, resulting in cognitive decline. This report summarizes the discussion and recommendations from a working group convened by the National Heart, Lung, and Blood Institute and the National Institute of Neurological Disorders and Stroke to evaluate the state of the field in VCID research, identify research priorities, and foster collaborations. As discussed in this report, advances in understanding the biological mechanisms of VCID across the wide spectrum of pathologies, chronic systemic comorbidities, and other risk factors may lead to potential prevention and new treatment strategies to decrease the burden of dementia. Better understanding of the social determinants of health that affect risks for both vascular disease and VCID could provide insight into strategies to reduce racial and ethnic disparities in VCID.
Synthesis of Pyrrolidines by a Csp3‐Csp3/Csp3‐N Transition‐Metal‐Free Domino Reaction of Boronic Acids with γ‐Azido‐N‐Tosylhydrazones
Authors: Florentino Lucía , López Lucía , Barroso Raquel , Cabal María‐Paz , Valdés Carlos
Published: October 2020

The reaction between γ‐azido‐N‐tosylhydrazones and boronic acids leads to the obtention of 2,2‐disubstituted pyrrolidines in a domino process that includes 1) diazoalkane formation, 2) intermolecular carboborylation of the diazocompound, and 3) intramolecular carborylation of the azide, and comprises the formation of a Csp3−Csp3 and a Csp3−N bonds on the same carbon atom. The reaction proceeds without the need of any transition‐metal catalyst under microwave activation and features wide scope in both reaction partners. It can be applied to both alkyl and arylboronic acids with equal efficiency. With N‐tosylhydrazones derived from 2‐(2‐azidoethyl)‐cyclopentanone and cyclohexanone the reactions are highly diastereoselective leading to the cis‐fused bicyclic systems as unique diastereoisomers. The scope of the process is illustrated by over sixty examples, including scaffolds present in natural alkaloids, and the mechanistic proposal is suppported by DFT‐based computations.
Reversible Silylium Transfer between P‐H and Si‐H Donors
Authors: Belli Roman G. , Pantazis Dimitrios A. , McDonald Robert , Rosenberg Lisa
Published: October 2020

The Mo=PR2 π* orbital in a Mo phosphenium complex acts as acceptor in a new PIII‐based Lewis superacid. This Lewis acid (LA) participates in electrophilic Si‐H abstraction from E3SiH to give a Mo‐bound secondary phosphine ligand, Mo‐PR2H. The resulting Et3Si+ ion remains associated with the Mo complex, stabilized by η1‐P‐H donation, yet undergoes rapid exchange with an η1‐Si‐H adduct of free silane in solution. The equilibrium between these two adducts presents an opportunity to assess the role of this new LA in catalytic reactions of silanes: is the LA acting as a catalyst or as an initiator? Preliminary results suggest that a cycle including the Mo‐bound phosphine‐silylium adduct dominates in the catalytic hydrosilylation of acetophenone, relative to a putative cycle involving the silane‐silylium adduct or “free” silylium.
Enhancement of hydrophobicity of natural rubber latex films using diatomaceous earth
Authors: Ambegoda Vihanga Thejasri , Egodage Shantha Maduwage , Blum Frank Dennis , Maddumaarachchi Madhubhashini
Published: October 2020

Enhancement of the hydrophobic nature of natural rubber latex (NRL) films will open up a wide range of applications for them. Incorporating hexadecyltrimethoxysilane treated superhydrophobic diatomaceous earth (DE) in NRL, resulted in films with increased hydrophobicity. The nano‐scale surface roughness for the superhydrophobic surface was provided by DE and low surface energy was achieved by treating DE with hexadecyltrimethoxysilane (treated DE). Surface wettability and morphology were analyzed by water contact angle (WCA) measurements and scanning electron microscopic analysis, respectively. About 38% wt/wt hexadecyltrimethoxysilane to DE ratio could make superhydrophobic DE with WCAs larger than 150°. A dispersion of treated DE was incorporated into NRL resulting in hydrophobic NRL films possessing WCAs greater than 110° with 41% treated DE particle loading. The resulting NRL films were harder and had smaller tensile strength compared to normal NRL film.
Recent Progress on the Isolation and Detection Methods of Exosomes
Authors: Jiang Zejun , Liu Guangyan , Li Jianping
Published: October 2020

Exosomes are known as one of extracellular vesicles, which are found in various body fluids and released by cells. As transport carrier, exosomes participate actively in intercellular communication and reflect their characteristics uniquely to the origin cells. Due to their unique biological physical properties and physiological functions, exosomes are considered to be one of best biomarkers of cancer diagnosis. At the same time, exosomes are potential therapeutic targets and drug delivery carriers. Therefore, the characteristics, functions and analytical methods of exosomes have increasingly attracted wide attention among scientists. In this review, the recent research progress on the basic characteristics and functional applications of exosomes are summarized. Furthermore and importantly, this review focuses on the recent advance in the purification and test methods of exosomes in recent years. Finally, issues pertaining to exosome detection are presented. Based on newly discovered characteristic of exosomes, the opportunities and challenges for future research of the purification and quantitative detection methods are outlined.
Induced pluripotent stem cells can utilize lactate as a metabolic substrate to support proliferation
Authors: Odenwelder Daniel C. , Lu Xiaoming , Harcum Sarah W.
Published: October 2020

Human‐induced pluripotent stem cells (iPSCs) hold the promise to improve cell‐based therapies. Yet, to meet rising demands and become clinically impactful, sufficient high‐quality iPSCs in quantity must be generated, a task that exceeds current capabilities. In this study, K3 iPSCs cultures were examined using parallel‐labeling metabolic flux analysis (13C‐MFA) to quantify intracellular fluxes at relevant bioprocessing stages: glucose concentrations representative of initial media concentrations and high lactate concentrations representative of fed‐batch culture conditions, prior to and after bolus glucose feeds. The glucose and lactate concentrations are also representative of concentrations that might be encountered at different locations within 3D cell aggregates. Furthermore, a novel method was developed to allow the isotopic tracer [U‐13C3] lactate to be used in the 13C‐MFA model. The results indicated that high extracellular lactate concentrations decreased glucose consumption and lactate production, while glucose concentrations alone did not affect rates of aerobic glycolysis. Moreover, for the high lactate cultures, lactate was used as a metabolic substrate to support oxidative mitochondrial metabolism. These results demonstrate that iPSCs have metabolic flexibility and possess the capacity to metabolize lactate to support exponential growth, and that high lactate concentrations alone do not adversely impact iPSC proliferation.
Consumers' perceived value of healthier eating: A SEM analysis of the internalisation of dietary norms considering perceived usefulness, subjective norms, and intrinsic motivations in Singapore
Authors: de Kervenoael Ronan , Schwob Alexandre , Hasan Rajibul , Ting Yak Shu
Published: October 2020

Consumers' internalisation of social norms is at work when they make routine, healthier food choices in everyday contexts. We investigate the dynamics of this phenomenon in Singapore, where over 98% of consumer food products are imported. To study this, we propose, through a consumer perspective (n = 316) via Partial Least Squares Structural Equation Modelling (PLS‐SEM), a model that establishes a positive relationship between perceived usefulness, subjective norms, and intrinsic motivations and the perceived value of healthier food. Subjective norms are themselves found to be a function of perceived barriers, facilitating conditions and personal innovativeness. Our framework contributes to establish a shift in the drivers of healthier food choices toward a more socio‐culturally grounded decision‐making approach that is particularly relevant to understand food consumption. We show that daily food routines (opposing the exceptional healthy food item) are encapsulated in perceived value of healthier eating. The data indicates further that to support healthier food product consumption, both policy makers and food providers must facilitate imported foods that meet quickly changing lifestyle requirements.
Electrochemiluminescence of Ru(bpy)32+/Oxamic Hydrazide and its Application for Selective Detection of 4‐Nitrobenzaldehyde
Authors: Yuan Fan , Halawa Mohamed Ibrahim , Ma Xiangui , Abdussalam Abubakar , Lou Baohua , Xu Guobao
Published: October 2020

Oxamic hydrazide (OHA) was utilized as an efficient coreactant of Ru(bpy)32+ for the first time, which can dramatically increase the electrochemiluminescence (ECL) intensity of Ru(bpy)32+ on glassy carbon electrode (GCE). 4‐nitrobenzaldehyde (4‐NBA), a nitroaromatic compound, has mutagenic and carcinogenic toxicity on humans′ genome and causes a serious impact on the environment. Hence, the detection of its level in biological and environmental samples is of great significance. Interestingly, 4‐NBA was found to induce a dramatic quenching for the ECL intensity of the developed Ru(bpy)32+/OHA system owing to the formation of hydrazone product through the nucleophilic addition reaction with OHA. Under optimal conditions, the ECL decreasing value of Ru(bpy)32+/OHA in the presence of 4‐NBA is linear in the range of 20 μM to 800 μM with a limit of detection (LOD) of 1.09 μM (signal‐to‐noise 3 : 1). Finally, this strategy enabled the detection of 4‐NBA in tap water with satisfactory recoveries from 97.84 % to 103.56 %.
On the engineering of a laboratory LED‐based photocatalytic reactor for radiative and kinetic studies
Authors: Gómez‐Llanos Alexis , Lequeux Camille , Ramos Luis A. , Ruiz Richard S. , Cabello Juan J. , Castillo Carlos O.
Published: October 2020

This contribution aims at developing engineering approaches to characterize radiative transfer and kinetics of a catalyst to be activated by electromagnetic radiation, one of the main bottlenecks when evaluating materials in heterogeneous photocatalytic processes. A specialized LED‐based photoreactor is engineered to obtain reliable information on the aforementioned mechanisms. The radiative transfer approach serves as a criterion to elucidate the capability of a catalyst to be activated or not by visible light or UV‐A light. When the catalyst favours the absorption of photons rather than their scattering or transmission, the experimental methodology allows the determination of intrinsic optical information being independent of fluid dynamics, and catalyst concentration. Radiative characterization, along with a mass transfer analysis, guides the proposal of the operational design of the photoreactor to carry out intrinsic kinetic studies. Thus, the operation of the photoreactor under pseudo‐isoactinic and differential reaction conditions leads to the determination of intrinsic initial reaction rates, enabling the understanding of the complex interaction among the optical properties of the catalyst, the reaction rate for the production of hydroxyl radicals (•OH), and the oxidation of a recalcitrant organic pollutant. The procedures assessed are worthy of being used for evaluating other materials, activated at different wavelength ranges or designed for different photocatalytic applications, paving the way for the scale‐up of the reactor, another of the main challenges in photocatalysis.
Alternating Cationic‐Hydrophobic Peptide/Peptoid Hybrids: Influence of Hydrophobicity on Antibacterial Activity and Cell Selectivity
Authors: Frederiksen Nicki , Hansen Paul R. , Zabicka Dorota , Tomczak Magdalena , Urbas Malgorzata , Domraceva Ilona , Björkling Fredrik , Franzyk Henrik
Published: October 2020

The influence of hydrophobicity on antibacterial activity versus the effect on the viability of mammalian cells for peptide/peptoid hybrids was examined for oligomers based on the cationic Lys‐like peptoid residue combined with each of 28 hydrophobic amino acids in an alternating sequence. Their relative hydrophobicity was correlated to activity against both Gram‐negative and Gram‐positive species, human red blood cells, and HepG2 cells. This identified hydrophobic side chains that confer potent antibacterial activity (e. g., MICs of 2–8 μg/mL against E. coli) and low toxicity toward mammalian cells (<10 % hemolysis at 400 μg/mL and IC50>800 μg/mL for HepG2 viability). Most peptidomimetics retained activity against drug‐resistant strains. These findings corroborate the hypothesis that for related peptidomimetics two hydrophobicity thresholds may be identified: i) it should exceed a certain level in order to confer antibacterial activity, and ii) there is an upper limit, beyond which cell selectivity is lost. It is envisioned that once identified for a given subclass of peptide‐like antibacterials such thresholds can guide further optimisation.
A Single Second Shell Amino Acid Determines Affinity and Kinetics of Linagliptin Binding to Type 4 Dipeptidyl Peptidase and Fibroblast Activation Protein
Authors: Schnapp Gisela , Hoevels Yvette , Bakker Remko A. , Schreiner Patrick , Klein Thomas , Nar Herbert
Published: October 2020

Drugs targeting type 4 dipeptidyl peptidase (DPP‐4) are beneficial for glycemic control, whereas fibroblast activation protein alpha (FAP‐α) is a potential target for cancer therapies. Unlike other gliptins, linagliptin displays FAP inhibition. We compared biophysical and structural characteristics of linagliptin binding to DPP‐4 and FAP to better understand what differentiates linagliptin from other gliptins. Linagliptin exhibited high binding affinity (KD) and a slow off‐rate (koff) when dissociating from DPP‐4 (KD 6.6 pM; koff 5.1×10−5 s−1), and weaker inhibitory potency to FAP (KD 301 nM; koff>1 s−1). Co‐structures of linagliptin with DPP‐4 or FAP were similar except for one second shell amino acid difference: Asp663 (DPP‐4) and Ala657 (FAP). pH dependence of enzymatic activities and binding of linagliptin for DPP‐4 and FAP are dependent on this single amino acid difference. While linagliptin may not display any anticancer activity at therapeutic doses, our findings may guide future studies for the development of optimized inhibitors.
A multiscale absorption and transit model for oral delivery of hydroxychloroquine: Pharmacokinetic modeling and intestinal concentration prediction to assess toxicity and drug‐induced damage in healthy subjects
Authors: Kannan Ravishekar , Przekwas Andrzej
Published: October 2020

Hydroxychloroquine (HCQ) is commonly used in the treatment of malaria and rheumatic diseases. Recently it has also been identified as possible therapeutic option in combating COVID‐19. However, the use of HCQ is known to induce cytotoxicity. In 2020, we developed a multiscale absorption and transit (MAT) toolkit to simulate the dissolution, transport, absorption, distribution, metabolism, and elimination of orally administered drugs in the human GIT at multiple levels. MAT was constructed by integrating the spatially accurate first‐principles driven high‐fidelity drug transport, dissolution, and absorption model in the human stomach and GIT using the recently published Quasi‐3D framework. The computational results showed that MAT was able to match the experimental concentration results better than the traditional compartmental models. In this study, we adapted MAT, to predict the pharmacokinetics of orally delivered HCQ in healthy subjects. The computational results matched the experimental concentration results. The simulated stomach and intestinal fluid and enterocyte concentrations were compared with the in vitro CC50 values. While the peak enterocyte concentrations were several orders lower than the in vitro CC50 values, the peak stomach and the intestinal fluid concentrations were only one order smaller than the in vitro CC50 values. In particular, the peak stomach and the duodenum fluid concentrations were just 3× smaller than the in vitro CC50 values. This implies that the lumen walls are much more susceptible to cytotoxicity‐based damage than the enterocyte layers. We envision that MAT can be used to optimize the dosing regimen of HCQ by maximizing its bioavailability, while simultaneously minimizing the cytotoxic damage.
Development of a low‐cost food color monitoring system
Authors: Jain Ankit , Pradhan Bikash K. , Mahapatra Paresh , Ray Sirsendu S. , Chakravarty Sumit , Pal Kunal
Published: October 2020

The colorimetric analysis of food has gained much popularity in the last few decades. The present study reports the development of a low‐cost food color quality testing and process monitoring system. The proposed device consists of a hardware and a software (Color Magic) combination, which may allow the hardware to be used either for quality testing or process monitoring applications. In the quality‐testing mode, the software captures the image of the food products through the imaging system. Subsequently, the software processes the acquired image and computes color parameters in RGB (red, green, blue), CIELAB, and HSI (hue, saturation, intensity) color spaces. The software also synthesizes and displays the perceived color information in the display panel. The datalog of the sample color information can be sent to the user. Further, a separate software (Color Process), which is installed in a central server, was developed to implement a wireless star network topology for multi‐node process monitoring. The “Color Process” software allows users to acquire color information from multiple hardware. The software monitors the Hue from all the devices. It alerts the user via email if the Hue is beyond the range in any of the nodes. Finally, the device was tested for quality testing and process monitoring applications using colored placards and apple slices. The implementation of the wireless sensor network (WSN) in designing the multi‐node process monitoring makes the proposed device a unique system. This further would allow the device to be used for process monitoring at multiple remote locations.
Biopharmaceutical Characteristics of Nifurtimox Tablets for Age‐ and Body Weight‐Adjusted Dosing in Patients With Chagas Disease
Authors: Stass Heino , Feleder Ethel , Garcia‐Bournissen Facundo , Nagelschmitz Johannes , Weimann Boris , Yerino Gustavo , Altcheh Jaime
Published: October 2020

Treatment of Chagas disease with nifurtimox requires age‐ and body weight‐adjusted dosing, resulting in complex dosing instructions. Appropriate formulations are needed for precise and compliant dosing, especially in pediatric patients. We characterized the biopharmaceutical features of a standard nifurtimox 120‐mg tablet and a 30‐mg tablet developed to improve dose accuracy. Two open‐label, randomized crossover studies were conducted in adult outpatients with Chagas disease. One study investigated whether 4 × 30‐mg tablets and 1 × 120‐mg tablet were bioequivalent and whether tablets can be administered as an aqueous slurry without affecting bioavailability. The second study investigated the effect of a high‐calorie/high‐fat diet versus fasting on the absorption of nifurtimox after a single 4 × 30‐mg dose. Interventions were equivalent if the 90% confidence interval (CI) of their least‐squares (LS) mean ratios for both AUC0‐tlast and Cmax were in the range of 80%‐125%. The 4 × 30‐mg and 1 × 120‐mg tablet doses were bioequivalent (AUC0‐tlast: LS mean ratio, 104.7%; 90%CI, 99.1%‐110.7%; Cmax: LS mean ratio, 101.7%; 90%CI, 89.4%‐115.6%; n = 24). Exposure when giving the 4 × 30‐mg dose as a slurry or as tablets was comparable, with an AUC0‐tlast ratio of 93.2% (84.2%‐103.1%; n = 12) and a slightly decreased Cmax ratio for the slurry of 76.5% (68.8%‐85.1%). Food improved the bioavailability of nifurtimox substantially (AUC0‐tlast ratiofed/fasted, 172%; 90%CI, 154%‐192%; Cmax ratiofed/fasted, 168%; 90%CI, 150%‐187%). The data indicate that the 30‐ and 120‐mg tablets are suitable for dosing adult and pediatric patients accurately; nifurtimox should be administered under fed conditions.
Safety, Tolerability, and Pharmacokinetics of Mevidalen (LY3154207), a Centrally Acting Dopamine D1 Receptor‐Positive Allosteric Modulator (D1PAM), in Healthy Subjects
Authors: Wilbraham Darren , Biglan Kevin M. , Svensson Kjell A. , Tsai Max , Kielbasa William
Published: October 2020

Activation of the brain dopamine D1 receptor has attracted attention because of its promising role in neuropsychiatric diseases. Although efforts to develop D1 agonists have been challenging, a positive allosteric modulator (PAM), represents an attractive approach with potential better drug‐like properties. Phase 1 single‐ascending‐dose (SAD; NCT03616795) and multiple‐ascending‐dose (MAD; NCT02562768) studies with the D1PAM mevidalen (LY3154207) were conducted with healthy subjects. There were no treatment‐related serious adverse events (AEs) in these studies. In the SAD study, 25‐200 mg administered orally showed dose‐proportional pharmacokinetics (PK) and acute dose‐related increases in systolic blood pressure (SBP) and diastolic blood pressure DBP) and pulse rate at doses ≥ 75 mg. AE related to central activation were seen at doses ≥ 75 mg. At 25 and 75 mg, central penetration of mevidalen was confirmed by measurement of mevidalen in cerebrospinal fluid. In the MAD study, once‐daily doses of mevidalen at 15‐150 mg for 14 days showed dose‐proportional PK. Acute dose‐dependent increases in SBP, DBP, and PR were observed on initial administration, but with repeated dosing the effects diminished and returned toward baseline levels. Overall, these findings support further investigation of mevidalen as a potential treatment for a range of neuropsychiatric disorders.
Design Strategies of Transition‐Metal Phosphate and Phosphonate Electrocatalysts for Energy‐Related Reactions
Authors: Zhao Hui , Yuan Zhong‐Yong
Published: October 2020

The key challenge to developing renewable energy conversion and storage devices lies in the exploration and rational engineering of cost‐effective and highly efficient electrocatalysts for various energy‐related electrochemical reactions. Transition‐metal phosphates and phosphonates have shown remarkable performances for these reactions based on their unique physicochemical properties. Compared with transition‐metal oxides, phosphate groups in transition‐metal phosphates and phosphonates show flexible coordination with diverse orientations, making them an ideal platform for designing active electrocatalysts. Although numerous efforts have been spent on the development of transition‐metal phosphate and phosphonate electrocatalysts, some urgent issues, such as low intrinsic catalytic efficiency and low electronic conductivity, have to be resolved in accordance with their applications. In this Review, we focus on the design strategies of highly efficient transition‐metal phosphate and phosphonate electrocatalysts, with special emphasis on the tuning of transition‐metal‐center coordination environment, optimization of electronic structures, increase of catalytically active site densities, and construction of heterostructures. Guided by these strategies, recently developed transition‐metal phosphate and phosphonate materials have exhibited excellent activity, selectivity, and stability for various energy‐related electrocatalytic reactions, showing great potential for replacing noble‐metal‐based catalysts in next‐generation advanced energy techniques. The existing challenges and prospects regarding these materials are also presented.
No evidence for differential sociosexual behavior and space use in the color morphs of the European common wall lizard (Podarcis muralis)
Authors: Abalos Javier , Pérez i de Lanuza Guillem , Bartolomé Alicia , Liehrmann Océane , Laakkonen Hanna , Aubret Fabien , Uller Tobias , Carazo Pau , Font Enrique
Published: October 2020

Explaining the evolutionary origin and maintenance of color polymorphisms is a major challenge in evolutionary biology. Such polymorphisms are commonly thought to reflect the existence of alternative behavioral or life‐history strategies under negative frequency‐dependent selection. The European common wall lizard Podarcis muralis exhibits a striking ventral color polymorphism that has been intensely studied and is often assumed to reflect alternative reproductive strategies, similar to the iconic “rock–paper–scissors” system described in the North American lizard Uta stansburiana. However, available studies so far have ignored central aspects in the behavioral ecology of this species that are crucial to assess the existence of alternative reproductive strategies. Here, we try to fill this gap by studying the social behavior, space use, and reproductive performance of lizards showing different color morphs, both in a free‐ranging population from the eastern Pyrenees and in ten experimental mesocosm enclosures. In the natural population, we found no differences between morphs in site fidelity, space use, or male–female spatial overlap. Likewise, color morph was irrelevant to sociosexual behavior, space use, and reproductive success within experimental enclosures. Our results contradict the commonly held hypothesis that P. muralis morphs reflect alternative behavioral strategies, and suggest that we should instead turn our attention to alternative functional explanations.
Cu2O/CuO Electrocatalyst for Electrochemical Reduction of Carbon Dioxide to Methanol
Authors: Roy Animesh , Jadhav Harsharaj S. , Gil Seo Jeong
Published: October 2020

Herein, we report the controlled and direct fabrication of Cu2O/CuO thin film on the conductive nickel foam using electrodeposition route for the electrochemical reduction of carbon dioxide (CO2) to methanol. The electrocatalytic reduction was performed in CO2 saturated aqueous solution consisting of KHCO3, pyridine and HCl at room temperature. CO2 reduction was carried out at a constant potential of −1.3 V for 120 min to study the electrochemical performance of the prepared electrocatalysts. Cu2O/CuO shows better electrocatalytic activity with highest current density of 46 mA/cm2. The prepared catalyst can be an efficient and selective electrode for the production of methanol.
Influences of trailing edge split flap on the aerodynamic performance of vertical axis wind turbine
Authors: Zhang Lijun , Gu Jiawei , Hu Kuoliang , Zhu Huaibao , Miao Junjie , Li Xiang , Ma Dongchen , Mi Yuxia , Wang Zhiwei
Published: October 2020

To improve the performance of a 3.5 kW small H‐type vertical axis wind turbine (VAWT) with the airfoil of NACA0015, a design method for installing split flaps at the trailing edge of a blade is proposed. By solving the two‐dimensional URANS equations, the simulation of VAWTs is carried out. The influences of the length (10% c‐30% c), arrangement positions (90% c‐70% c), and deflection angles (10°‐30°) of the split flaps on the performance of VAWT are determined by orthogonal design when Reynolds number is 2 × 105 and 1 < TSR < 3. In accordance with the influence degrees of these parameters and adopting the maximum wind energy utilization ratio CPmax and the maximum efficient operating range Δλmax as research objectives, the optimum flap length is determined as 22% c, the optimum deflection angle is 10°, and the optimum arrangement position is 92% c. Further studies show that the CPmax is increased by 5.8% and its Δλmax is increased by 25.9% after installing split flaps. Meanwhile, split flaps can change the Kutta‐Joukowsky trailing edge boundary condition, which increases the flow circulation around the airfoil. Also, split flaps can increase the positive pressure difference in the upwind area and reduce the negative pressure difference in the downwind area, which significantly improves the aerodynamic performance of VAWTs.
On the use of Glimm‐like schemes for transport equations on multidimensional domain
Authors: Hurisse Olivier
Published: October 2020

This article is dedicated to a numerical method based on Glimm's idea and applied to the specific problem of advection of an indicator function. The numerical scheme relies on a fractional step approach for which: the first step is performed using any classical finite‐volume scheme, and the second step sharpens the approximated solution issued from the first step. This second step is based on a random choice as proposed in the original idea of Glimm. In order to assess the capabilities of this approach, several test cases have been investigated including convergence studies with respect to the mesh‐size. The method proposed in this article is very easy to implement, even for multiprocessor computations, and it naturally extends to multidimensional domains. Several numerical test cases, including both one‐ and two‐dimensional domains, have been considered in order to examine its behavior in terms of robustness, accuracy, and convergence rate.
Impact of bitcoin futures on the informational efficiency of bitcoin spot market
Authors: Shynkevich Andrei
Published: October 2020

This study examines the informational efficiency of the bitcoin spot market by evaluating the predictive power of mechanical trading rules designed to exploit price continuation. Significant return predictability is found until the introduction of bitcoin futures in December 2017. The forecasting ability of trend‐chasing trading rules declines dramatically afterwards. Although evidence suggests that the introduction of bitcoin futures has increased the informational efficiency of the bitcoin spot market, no signs of improvement in informational efficiency are found in ethereum, the second‐largest cryptocurrency—following the introduction of bitcoin futures.
Still in search of strategic human resource management? A review and suggestions for future research with China as an example
Authors: Cooke Fang Lee , Xiao Mengtian , Chen Yang
Published: October 2020

Strategic human resource management (SHRM) has been an important strand of research in the HRM field for over three decades, and has attracted heated debates in recent years. One main critique of the state of SHRM research is its increasing detachment from HRM practice, in the pursuit of more theoretical rigor and methodological sophistication. Our review article has two main tasks. First, we review SHRM research published in two leading HRM journals—Human Resource Management and Human Resource Management Journal—in the light of the criticisms on SHRM research and use this as a backdrop of our second task. Second, we critically examine SHRM research conducted in the Chinese context by drawing on a systematic review on extant literature. In doing so, we draw on a wider range of HRM journals such as Human Resource Management Review, The International Journal of Human Resource Management, and so forth. We find that while the trend of psychologization in SHRM research is gathering pace, the range of theoretical perspectives mobilized to inform the studies is actually expanding. We call for SHRM research to be more contextualized and more practical phenomenon‐driven SHRM research. We indicate several avenues for future research, using China as an example.
Computation of radiative Marangoni (thermocapillary) magnetohydrodynamic convection in a Cu‐water based nanofluid flow from a disk in porous media: Smart coating simulation
Authors: Shamshuddin MD. , Mishra S. R. , Bég O. Anwar , Bég Tasveer A. , Ali Kadir
Published: October 2020

With emerging applications for smart and intelligent coating systems in energy, there has been increasing activity in researching magnetic nanomaterial coating flows. Surface tension features significantly in such regimes, and in the presence of heat transfer, Marangoni (thermocapillary) convection arises. Motivated by elaborating deeper the intrinsic transport phenomena in such systems, in this paper, a mathematical model is developed for steady radiative heat transfer and Marangoni magnetohydrodynamic flow of a Cu‐water nanofluid influencing a strong magnetic field through a porous disk. The semianalytical adomain decomposition method is employed to find the solution of flow governing equations, which are reduced into ordinary differential equation form via the Von Karman similarity transformation. Validation with a generalized differential quadrature algorithm is included. The response in dimensionless velocity, temperature, wall heat transfer rate and shear stress is investigated for various values of the control parameters. Temperature is reduced with increasing Marangoni parameter, whereas the flow is accelerated. With increasing permeability parameter, the temperatures are elevated. Increasing radiative flux boosts temperatures further from the disk surface. Increasing magnetic parameter strongly dampens the boundary layer flow and elevates the temperatures, also eliminating temperature oscillations at lower magnetic field strengths.
Does ownership structure affect the optimal capital structure? A PSTR model for China
Authors: Hu Xiaojian , Yao Gang , Zhou Taiyun
Published: October 2020

In the context of Chinese enterprises' privatization reforms, the relationships between ownership structure and optimal capital structure and between ownership structure and firm performance are worth attention. Using data on listed companies in China, this article uses the panel smooth transfer regression (PSTR) model and multiple regression models to test the nonlinear relationship between capital structure and firm performance. The optimal capital structure is calculated using the partial correlation function of the PSTR model, and the ownership structure–optimal capital structure relationship is analysed. This research found that (a) the effect of the debt‐to‐asset ratio on firm performance shows a nonlinear relationship with sudden changes in characteristics, and a debt‐to‐asset ratio interval exists that can significantly improve firm performance; (b) under the premise of the effect of ownership checks and balances, an increase in ownership concentration can improve the optimal capital structure; thus, enterprises can achieve effective operations with higher debt; (c) the promotion effect of ownership concentration on firm performance varies depending on a company's debt‐to‐asset ratio; and (d) different industries have different optimal capital structures. The raw materials industry has a high optimal capital structure. A series of robustness tests verify the robustness of these conclusions. This research enriches the theoretical interpretation of the optimal capital structure and provides new insights into the relationship between ownership structure and firm performance. The conclusions drawn by this article are helpful to enterprises making corresponding financial decisions and the government in formulating corresponding capital market systems.
Sources of economic slowdown: A simultaneous equations approach
Authors: Zhao Daping , Anwar Sajid , Alexander W. Robert J.
Published: October 2020

We explore the potential sources of slowdown in growth in a theoretical macroeconomic framework, from which we develop an empirical model consisting of a system of equations for the growth rate of GDP and the consumption share of GDP. Having estimated the basic model, we perform an extreme bounds analysis with a range of control variables as a robustness check on the results. In a sample of middle‐income countries, an increase in the consumption ratio appears to be negatively associated with economic growth; foreign direct investment is found to be significantly associated with both economic growth and the consumption ratio. On considering sub‐samples of Asian and Latin American countries, we find, in the Asian economies, that there is an inverted U‐shaped relationship between the consumption ratio and economic growth while, in the Latin American economies, there is an inverted U‐shaped relationship between the consumption ratio and growth but a U‐shaped relationship between the government spending ratio and economic growth. In both sub‐samples, the investment ratio is positively associated with growth.