bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomic Nanoarchitectonics for Catalysis
Authors: Chen Guoping , Sciortino Flavien , Ariga Katsuhiko 
Published: October 2020

AbstractUseful 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, 1701357The 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Interfaces, published online on February 5, 2018 in Wiley Online Library (https://doi.org/10.1002/admi.201701357) has been retracted by agreement between the authors, the acting Editor‐in‐Chief José Oliveira, and Wiley‐VCH Verlag GmbH.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.
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

AbstractAssociations 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

AbstractAn 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

AbstractVascular 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

AbstractThe 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

AbstractThe 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

ABSTRACTEnhancement 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

AbstractExosomes 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

AbstractHuman‐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

AbstractConsumers' 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

AbstractOxamic 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

AbstractThis 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

AbstractThe 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

AbstractDrugs 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

AbstractHydroxychloroquine (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.