bluuebunny/crossref_metadata_2025_split huggingface dataset:
Boosted Hydrogen‐Evolution Kinetics Over Particulate Lanthanum and Rhodium‐Doped Strontium Titanate Photocatalysts Modified with Phosphonate Groups
Authors: Kageshima Yosuke , Kawanishi Toshiki , Saeki Daisuke , Teshima Katsuya , Domen Kazunari , Nishikiori Hiromasa 
Published: November 2020

AbstractPhosphonate groups loaded on the surface of the visible‐light‐responsive photocatalyst Ru‐loaded La,Rh‐doped SrTiO3 (Ru/La,Rh:STO) via a silane‐coupling treatment enhance the photocatalytic activity of this material during the hydrogen evolution reaction. Surface modification with an alkylsilane phosphonate accelerates the supply of reactants to active sites and is much more effective at improving the photocatalytic activity than the utilization of a phosphate‐buffered electrolyte as a reaction solution. In contrast, the incorporation of amine, sulfonate, and propyl groups does not improve the activity. The effects of these functional groups introduced via silane coupling on the reaction kinetics of hydrogen evolution are evaluated separately from the oxidative reaction using electrochemical methods. It was also demonstrated that the present alkylsilane phosphonate modification increases the photocatalytic activity even under a low photon flux.
Rhodium‐Catalyzed Synthesis of Chiral Monohydrosilanes by Intramolecular C−H Functionalization of Dihydrosilanes
Authors: Ma Wenpeng , Liu Li‐Chuan , An Kun , He Tao , He Wei 
Published: November 2020

AbstractThe preparation of chiral monohydrosilanes remains a rarely achieved goal. To this end a Rh‐catalyzed desymmetrization of dihydrosilanes by way of intramolecular C(sp2)−H functionalization under simple and mild conditions has now been developed. This method provides easy access to a broad range of chiral monohydrosilanes in good yields with excellent enantioselectivities (up to >99 % ee). The resulting monohydrosilanes constitute a good platform to access stereogenic silicon compounds, as well as useful compounds to probe silicon stereochemistry.
Enhanced energy storage of polyvinylidene fluoride‐based nanocomposites induced by high aspect ratio titania nanosheets
Authors: Zhu Congcong , Yin Jinghua , Li Jialong , Li Yanpeng , Zhao He , Yue Dong , Pan Lin , Wang Jimin , Feng Yu , Liu Xiaoxu 
Published: November 2020

AbstractTo enhance the discharge energy density (Ue) of polyvinylidene fluoride (PVDF), two‐dimensional (2D) titania nanosheets (TNSs) with high aspect ratio were introduced into PVDF. The results show that the TNSs are uniformly dispersed in matrix and the existence of matrix‐filler interface is confirmed by small angle X‐ray scattering. Introducing of high aspect ratio TNSs is beneficial to enhance the concentration of polar β‐phase and interfacial polarization, which can improve the permittivity (εr) of nanocomposites. Meanwhile, the shape of 2D TNSs plays an important role in enhancement of breakdown strength (Eb). The εr and Eb of the nanocomposites are two significant factors of their high energy storage performance. Therefore, the Ue increases to 0.32 J/cm3, which is 28% higher than that of pure PVDF (~0.25 J/cm3). The energy efficiency of this typical nanocomposite is similar as that of pure PVDF (~90%). This work might provide a method of fabricating promising energy storage dielectric materials.
Recent Progress and Perspectives on Electrochemical Regeneration of Reduced Nicotinamide Adenine Dinucleotide (NADH)
Authors: Immanuel Susan , Sivasubramanian R. , Gul Rukhsana , Dar Mushtaq Ahmad 
Published: November 2020

AbstractNAD is a cofactor that maintains cellular redox homeostasis and has immense industrial and biological significance. It acts as an enzymatic mediator in several biocatalytic electrochemical reactions and undergoes oxidation/reduction to form NAD+ or NADH, respectively. The NAD redox couple (NAD+/NADH) mostly exists in enzyme‐assisted metabolic reactions as a coenzyme during which electrons and protons are transferred. NADH shuttles these charges between the enzyme and the substrate. In order to understand such complex metabolic reactions, it is vital to study the bio‐electrochemistry of NADH. In addition, the regeneration of NADH in industries has attracted significant attention due to its vast usage and high cost. To make biocatalysis economically viable, primary methods of NADH regeneration including enzymatic, chemical, photochemical and electrochemical methods are widely used. This review is mainly focused on the electrochemical reduction of NAD+ to NADH with specific details on the mechanism and kinetics of the reaction. It provides emphasis on the different routes (direct and mediated) to electrochemically regenerate NADH from NAD+ highlighting the NAD dimer formation. Also, it describes the electrocatalysts developed until now and the scope for development in this area of research.
The Learning, Social and Emotion Adaptation Questionnaire‐Short Form: A Measure of Adaptive Behavior for Primary School Students with Autism Spectrum Disorder
Authors: Tse Hannah Man‐yan , Ho Irene T. , Wong Kathy 
Published: November 2020

Students with autism spectrum disorder (ASD) studying in mainstream classrooms have diverse adjustment difficulties in learning, social interaction, and emotion regulation. It is crucial to identify the areas these students find most challenging so that teachers can provide training and support accordingly. We therefore developed, examined, and provided norms for the Learning, Social and Emotion Adaptation Questionnaire‐Short Form (LSEAQ‐S), a teacher report instrument measuring 53 essential adaptive behaviors for mainstream primary school students in Hong Kong. Teachers completed the LSEAQ‐S for three samples of 2,298, 2,690, and 3,305 students with ASD from 204 schools and a sample of 1,869 students without ASD from 112 schools. Our study showed that an 11‐factor structure best describes the LSEAQ‐S, which has high internal consistency and good convergent validity examined with the Social Responsiveness Scale‐Second Edition (SRS‐2). Normative data of the LSEAQ‐S stratified by gender and grade (grades 1 to 3; grades 4 to 6) are presented. Gender and grade differences were found, with girls with ASD lagging behind their same‐gender peers in related skills more than boys with ASD did, across both grade levels and especially in senior grades. The LSEAQ‐S, together with its normative data, can reveal students' difficulties and needs, inform intervention priorities, and help monitor training progress.Lay SummaryThis study introduces the Learning, Social and Emotion Adaptation Questionnaire‐Short Form (LSEAQ‐S), a teacher report instrument developed in Hong Kong measuring school adaptation of students with autism spectrum disorder (ASD) in mainstream primary schools. The measure helps education personnel identify behaviors in which a student falls behind his/her peers and facilitate training and support targeting those behaviors. Autism Res 2021, 14: 959–972. © 2020 The Authors. Autism Research published by International Society for Autism Research and Wiley Periodicals LLC.
Perinatal nicotine exposure alters lung development and induces HMGB1‐RAGE expression in neonatal mice
Authors: Tsai Chin‐Yen , Chou Hsiu‐Chu , Chen Chung‐Ming 
Published: November 2020

AbstractBackgroundMaternal nicotine exposure during gestation and lactation adversely affect lung development of their children. High‐mobility group box 1 (HMGB1) is the encoded non‐histone, nuclear DNA‐binding protein that regulates transcription, and is involved in organization of DNA. Receptors for advanced glycation end products (RAGE) is a receptor for HMGB1 and activates nuclear factor‐κB (NF‐κB) signaling. Animal and human studies have found cigarette smoke exposure upregulates RAGE expression, suggesting that the HMGB1‐RAGE pathway might be involved in maternal nicotine‐induced lung injury.MethodsThis study evaluated prenatal and perinatal nicotine effects on lung development and HMGB1 and RAGE expression in mouse offspring. Nicotine was administered to pregnant mice by subcutaneous osmotic mini‐pump at a dose of 6 mg kg−1 day−1 from gestational Day 14 to birth (prenatal) or to postnatal Day 21 (perinatal). A control group received an equal volume of saline by the same route. Three study groups were obtained: prenatal normal saline (NS), prenatal nicotine, and perinatal nicotine groups. The mice were euthanized on postnatal Day 21, and the lung tissues were collected for histological and Western blot analyses.ResultsMice exposed to prenatal nicotine exhibited significantly higher lung mean chord length and oxidative stress marker 8‐hydroxy‐2′‐deoxyguanosine and NF‐κB expression compared to mice exposed to NS. Perinatal nicotine exposure further enhanced these harmful effects. These perinatal nicotine effects on lung development were associated with increased HMGB1 and RAGE expression.ConclusionsHMGB1‐RAGE pathway may be involved in the pathogenesis of altered lung development induced by perinatal nicotine exposure.
Can immunological manipulation defeat SARS‐CoV‐2? Why G‐CSF induced neutrophil expansion is worth a clinical trial
Authors: Katayama Hiroshi 
Published: November 2020

AbstractImmunity against SARS‐CoV‐2 that is acquired by convalescent COVID‐19 patients is examined in reference to (A) the Th17 cell generation system in psoriatic epidermis and (B) a recently discovered phenomenon in which Th17 cells are converted into tissue‐resident memory T (TRM) cells with Th1 phenotype. Neutrophils that are attracted to the site of infection secrete IL‐17A, which stimulates lung epithelial cells to express CCL20. Natural Th17 (nTh17) cells are recruited to the infection site by CCL20 and expand in the presence of IL‐23. These nTh17 cells are converted to TRM cells upon encounter with SARS‐CoV‐2 and continue to exist as ex‐Th17 cells, which exert Th1‐like immunity during a memory response. G‐CSF can induce nTh17 cell accumulation at the infection site because it promotes neutrophil egress from the bone marrow. Hence, G‐CSF may be effective against COVID‐19. Administration of G‐CSF to patients infected with SARS‐CoV‐2 is worth a clinical trial.
Can we get back together? Measuring brand relationship breakup
Authors: Lopez Alberto 
Published: November 2020

AbstractThe phenomenon of consumers developing relationships with brands is well documented. However, few researchers have addressed the brand relationship breakup process. Since consumers choose to break up with brands for several reasons, the purpose of this study is to better understand brand relationship breakups and reconciliation through the development and validation of a measure of the valence of the brand relationship breakup (i.e., how positively, negatively, or neutrally the consumer perceives the brand relationship breakup). The findings indicate that a more positive brand relationship breakup makes consumers more prone to reconcile with the brand and less likely to spread negative word of mouth. In addition, consumer desire for vengeance mediates this relationship. Finally, this paper explores how the valence of a brand relationship breakup influences the type of recovery strategies a company should use to reestablish the brand relationship with the consumer.
Determinants of consumer loyalty towards celebrity‐owned restaurants: The mediating role of brand love
Authors: Trivedi Jay , Sama Ramzan 
Published: November 2020

AbstractResearch examining consumer behavior towards celebrity‐owned ventures is limited. This study is in the context of celebrity‐owned restaurants. It observes the effect of celebrity endorsement and perceived food quality on brand love, further leading to brand loyalty and e‐WOM. The moderating role of customer experience between celebrity endorsement, perceived food quality, and the dependent variable brand love is also studied. A structured questionnaire was administered to the respondents who had experienced dining at a celebrity‐owned restaurant, and 532 responses were obtained. The results established that a celebrity‐owned restaurant would enjoy a robust consumer–brand relationship owing to its association with the celebrity.
Puzzling Out the Colchicine Biosynthetic Pathway
Authors: Stander Emily A. , Papon Nicolas , Courdavault Vincent 
Published: November 2020

AbstractColchicine is among the oldest plant natural products (NPs) still used for treating a broad spectrum of human diseases including gout and other articular inflammation disorders. This molecule is synthesized by several herbaceous species related to the Liliaceae family, but in very low quantities in whole plants. As for many pharmaceutical compounds from plants, the production of colchicine still depends on the natural resource from which it is extracted. From the past decade, metabolic engineering has progressively become a credible alternative for the cost‐effective large‐scale production of several valuable NPs. In the same vein, Nett and colleagues recently reported an unprecedented advance in the field for colchicine. By using a combination of transcriptomics, metabolomics and pathway reconstitution, Sattely's group deciphered a near‐complete biosynthetic pathway to colchicine without prior knowledge of biosynthetic genes. Besides constituting a benchmark for the elucidation of natural product biosynthetic pathways, it opens unprecedented perspectives regarding metabolic engineering of colchicine biosynthesis.
Photo‐recycling the Sacrificial Electron Donor: Towards Sustainable Hydrogen Evolution in a Biphasic System
Authors: Ge Peiyu , Hojeij Mohamad , Scanlon Micheál D. , Girault Hubert H. 
Published: November 2020

AbstractH2 may be evolved biphasically using a polarised liquid|liquid interface, acting as a “proton pump”, in combination with organic soluble metallocenes as electron donors. Sustainable H2 production requires methodologies to recycle the oxidised donor. Herein, the photo‐recycling of decamethylferrocenium cations (DcMFc+) using aqueous core‐shell semiconductor CdSe@CdS nanoparticles is presented. Negative polarisation of the liquid|liquid interface is required to extract DcMFc+ to the aqueous phase. This facilitates the efficient capture of electrons by DcMFc+ on the surface of the photo‐excited CdSe@CdS nanoparticles, with hydrophobic DcMFc subsequently partitioning back to the organic phase and resetting the system. TiO2 (P25) and CdSe semiconductor nanoparticles failed to recycle DcMFc+ due to their lower conduction band energy levels. During photo‐recycling, CdS (on CdSe) may be self‐oxidised and photo‐corrode, instead of water acting as the hole scavenger.
Discrete Supertetrahedral Tn Chalcogenido Clusters Synthesized in Ionic Liquids: Crystal Structures and Photocatalytic Activity
Authors: Peng Yingchen , Hu Qianqian , Liu Yifan , Li Jianrong , Huang Xiaoying 
Published: November 2020

AbstractDiscrete supertetrahedral Tn chalcogenido clusters, which can be regarded as the smallest semiconductor quantum dots with precise chemical composition, have attracted considerable attention due to their outstanding photoluminescent, photoelectric, and photo/electrocatalytic properties. Such discrete molecular clusters are suitable for solution processing towards functional materials and can be used as precursors for constructing open‐framework chalcogenides. Traditionally they were synthesized hydro(solvo)thermally with molecular solvents (e. g. water or organic amines), while until recently imidazolium‐based ionic liquids (ILs) were found suitable for their preparation acting as reactive solvent and stabilizer for molecular clusters. We discuss herein recent advances in the syntheses, crystal structures, and selected properties of discrete supertetrahedral Tn chalcogenido clusters obtained in ILs. In particular, the enhanced photocatalytic properties of monodispersed Tn clusters in solvents are highlighted.
Proton Transfer and SN2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPx
Authors: Dalla Tiezza Marco , Bickelhaupt F. Matthias , Flohé Leopold , Orian Laura 
Published: November 2020

AbstractThe so‐called peroxidatic cysteines and selenocysteines in proteins reduce hydroperoxides through a dual attack to the peroxide bond in a two‐step mechanism. First, a proton dislocation from the thiol/selenol to a close residue of the enzymatic pocket occurs. Then, a nucleophilic attack of the anionic cysteine/selenocysteine to one O atom takes place, while the proton is shuttled back to the second O atom, promoting the formation of a water molecule. In this computational study, we use a molecular model of GPx to demonstrate that the enzymatic environment significantly lowers the barrier of the latter SN2 step. Particularly, in our Se‐based model the energy barriers for the two steps are 29.82 and 2.83 kcal mol−1, both higher than the corresponding barriers computed in the enzymatic cluster, i. e., 21.60 and null, respectively. Our results, obtained at SMD‐B3LYP‐D3(BJ)/6‐311+G(d,p), cc‐pVTZ//B3LYP‐D3(BJ)/6‐311G(d,p), cc‐pVTZ level of theory, show that the mechanistic details can be well reproduced using an oversimplified model, but the energetics is definitively more favorable in the GPx active site. In addition, we pinpoint the role of the chalcogen in the peroxide reduction process, rooting the advantages of the presence of selenium in its acidic and nucleophilic properties.
From Synthetic to Biological Fe4S4 Complexes: Redox Properties Correlated to Function of Radical S‐Adenosylmethionine Enzymes
Authors: Bím Daniel , Alonso‐Gil Santiago , Srnec Martin 
Published: November 2020

AbstractBy employing the computational protocol for calculation of reduction potentials of the Fe4S4‐containing species validated using a representative series of well‐defined synthetic complexes, we focused on redox properties of two prototypical radical SAM enzymes to reveal how they transform SAM into the reactive 5’‐deoxyadenosyl radical, and how they tune this radical for its proper biological function. We found the reduction potential of SAM is indeed elevated by 0.3–0.4 V upon coordination to Fe4S4, which was previously speculated in the literature. This makes a generation of 5’‐deoxyadenosyl radical from SAM less endergonic (by ca. 7–9 kcal mol−1) and hence more feasible in both enzymes as compared to the identical process in water. Furthermore, our calculations indicate that the enzyme‐bound 5’‐deoxyadenosyl radical has a significantly lower reduction potential than in referential aqueous solution, which may help the enzymes to suppress potential side redox reactions and simultaneously elevate its proton‐philic character, which may, in turn, promote the radical hydrogen‐atom abstraction ability.
Towards an understanding of neurophysiological self‐regulation in early childhood: A heuristic and a new approach
Authors: Holochwost Steven J. , Kolacz Jacek , Mills‐Koonce W. Roger 
Published: November 2020

AbstractSelf‐regulation in early childhood encompasses both “top down,” volitional processes, as well as the “bottom up” activity of three neurophysiological systems: the parasympathetic nervous system (PNS), the sympathetic nervous system (SNS), and the hypothalamic‐pituitary‐adrenal (HPA) axis. In this paper we briefly review the structure, function, and early development of each of these systems and then explain why neurophysiological self‐regulation is most accurately defined as a function of their joint activity. We note that while there are a number of predictive models that employ this definition, the field would benefit from a straightforward heuristic and aligned methods of visualization and analysis. We then present one such heuristic, which we call neurophysiological space, and outline how it may facilitate a new, collaborative approach to building a better understanding of self‐regulation in early childhood. We conclude with a presentation of early education as one setting in which our heuristic and methods could be applied.
Voltammetric Study of the Antihistamine Drug Bilastine: Anodic Characterization and Quantification Using a Reusable MWCNTs Modified Screen Printed Carbon Electrode
Authors: Teixeira Jorge Ginja , Oliveira João 
Published: November 2020

AbstractThe anodic behaviour and the electroanalytical quantification of the second‐generation antihistamine bilastine (BIL) were investigated for the first time. A multi‐walled carbon nanotubes (MWCNTs) film‐coated screen printed carbon electrode (SPCE), as well as cyclic (CV) and linear sweep (LSV) voltammetry, were used for that purpose. The results showed that BIL undergoes an irreversible two‐electron oxidation process at the MWCNTs‐SPCE sensor. It was also found that the sensor can be reused after a simple and rapid reconditioning procedure. The proposed method was applied to the quantification of BIL in pharmaceutical formulations and spiked urine samples, and good recoveries were obtained.
Improved Al2O3/SiNx and SiO2/SiNx stack passivation layer structure PERC sc‐silicon solar cells on mass production line
Authors: Liu Hao , Wang Ya , Dong Liming , Wang Haiou , Zhang Zhengzhong 
Published: November 2020

SummaryIn this study, we have successfully developed an industrially feasible stack rear Al2O3/SiNx and front SiO2/SiNx passivation layer PERC solar cells fabrication method based on the existing PERC sc‐silicon solar cells production line. The manufacturing parameters of the deposition processes were adapted to get the best passivation effect. The front SiO2/SiNx passivation layer deposition parameters were researched for the best front passivation effect. The fabrication parameters of the first high refractive index SiNx layer were improved. And a new thin low refractive index SiNx capping layer at SiO2/SiNx interface was introduced. Meanwhile, the stack rear Al2O3/SiNx layer structure with double SiNx layers was also researched, which exhibited good passivation results for the rich hydrogen content in high refractive index SiNx layer. The industrial stack passivation layers PERCs with new thin low refractive index SiNx capping layer possess good performances with an efficiency of 22.15%.
Relationship between neuropsychiatric symptoms and Alzheimer's disease pathology: An in vivo positron emission tomography study
Authors: Yasuno Fumihiko , Minami Hiroyuki , Hattori Hideyuki ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: November 2020

AbstractObjectivesTo investigate the relationship between amyloid‐β‐ and tau‐based Alzheimer's disease (AD) pathologies assessed using positron emission tomography imaging and neuropsychiatric symptoms (NPS) in a sample of AD continuum including clinically normal subjects and patients with mild cognitive impairment or AD.MethodsWe analyzed datasets of the Alzheimer's disease Neuroimaging Initiative and included amyloid‐positive subjects who underwent an AV‐45 scan within 1 year of an AV‐1451 scan (n = 99). Correlation between standardized uptake value ratio (SUVR) of AV‐45 and AV‐1451 and the Neuropsychiatric Inventory (NPI) score (and its four domain subscores for hyperactivity, psychosis, affective, and apathy) was evaluated. Stepwise logistic regression analysis was used to examine the influence of SUVRs on the presence of NPS. SUVRs were also tested for their ability to discriminate the group with NPS using receiver operating characteristic (ROC) curve analyses.ResultsSignificant positive relationships were found between the total NPI score and affective symptoms and Braak 1&2 (transentorhinal region) AV‐1451 SUVR. Stepwise logistic regression analysis identified tau accumulation in the area of Braak 1&2 as a significant covariate discriminating the presence of affective symptoms. The area under the ROC curve analysis showed that subjects with affective symptoms were discriminated by AV‐1451 SUVR with an accuracy of 77.7%.ConclusionsTau aggregation in the transentorhinal region, where neurodegeneration affected by tau pathology was seen in the early stage of AD, correlated with more severe NPS, especially affective symptoms. Therefore, tau pathology in the transentorhinal cortex might be associated with affective symptoms in the early stage of AD.