bluuebunny/crossref_metadata_2025_split huggingface dataset:
How does a brand's psychological distance in an advergame influence brand memory of the consumers?
Authors: Sreejesh S. , Dwivedi Yogesh K. , Ghosh Tathagata 
Published: June 2021

AbstractAdvergames are computer games through which marketers promote their brands. While many studies have explored the influence of gamification of advertising, little is known about the nature of the consumer‐brand interaction and its effect on consumers' cognitive reactions. We address this gap by conducting three experiments in which we manipulate (a) consumers' level of message construal depending upon their interactions with the brands to complete game tasks, and (b) regulatory focus (RF) (individual‐level and game‐induced). We measure the effects on consumers' brand memory and also examine the mediating role of flow experience. Different samples comprising of post‐graduate students and adults are used in the experiments. Results reveal that a low (vs. high) construal level yields stronger brand memory. Also, a fit between RF (promotion and prevention) and construal level (high and low) results in better brand memory. Flow experience mediates the effects of the independent variables on brand memory.
Real‐Time and Label‐Free Measurement of Deubiquitinase Activity with a MspA Nanopore
Authors: Shorkey Spencer A. , Du Jiale , Pham Ryan , Strieter Eric R. , Chen Min 
Published: June 2021

AbstractCovalently attaching ubiquitin (Ub) to cellular proteins as a post‐translational modification can result in altered function of modified proteins. Enzymes regulating Ub as a post‐translational modification, such as ligases and deubiquitinases, are challenging to characterize in part due to the low throughput of in‐vitro assays. Single‐molecule nanopore based assays have the advantage of detecting proteins with high specificity and resolution, and in a label‐free, real‐time fashion. Here we demonstrate the use of a MspA nanopore for discriminating and quantifying Ub proteins. We further applied the MspA pore to measure the Ub‐chain disassembly activity of UCH37, a proteasome associated deubiquitinase. The implementation of this MspA system into nanopore arrays could enable high throughput characterizations of unknown deubiquitinases as well as drug screening against disease related enzymes.
Understanding the Structure‐Activity Relationship of Ni‐Catalyzed Amide C−N Bond Activation using Distortion/Interaction Analysis
Authors: Xie. Pei‐Pei , Qin Zhi‐Xin , Zhang Shuo‐Qing , Hong Xin 
Published: June 2021

AbstractTransition metal‐catalyzed amide C−N bond activation has emerged as a powerful strategy to utilize amides in synthetic transformations. The key mechanistic basis for the rational design of amide reagents is the structure‐activity relationship of amide C−N bond activation. In this work, the controlling factors of Ni/PCy3‐catalyzed amide C−N bond activation barrier are elucidated with density functional theory (DFT) calculations and distortion/interaction analysis. We found that the substrate distortion is the key factor that differentiates the amide reactivity in the C−N bond activation. The substrate distortion of amide is associated with two distinctive structure‐activity relationships. The general planar amides undergo a classic three‐membered ring oxidative addition to cleave the C−N bond, in which the C−N heterolytic bond dissociation energy has a linear relationship with the activation barrier. The twisted amides have a chelation‐assisted transition state for the amide C−N bond cleavage, and the twisted angle τ can serve as a predictive parameter for the reactivity of the twisted amides. The understanding of the structure‐activity relationship of amide C−N bond activation provides a rational and predictive basis for future reaction designs involving transition metal‐catalyzed amide C−N bond activation.
Hydrogen Evolution Mediated by Cobalt Diimine‐Dioxime Complexes: Insights into the Role of the Ligand Acid/Base Functionalities.
Authors: Sun Dongyue , Karippara Harshan Aparna , Pécaut Jacques , Hammes‐Schiffer Sharon , Costentin Cyrille , Artero Vincent 
Published: June 2021

AbstractThe benchmarking of the performance for H2evolution of cobalt diimine‐dioxime catalysts is provided based on a comprehensive study of their catalytic mechanism. The latter follows an ECE'CC pathway with intermediate formation of a Co(II)‐hydride intermediate and second protonation possibly at a basic site of the ligand, acting as a proton relay. This suggests an intramolecular coupling between the hydride and protonated ligand as the proton concentration‐independent rate‐determining step controlling the turnover frequency for H2evolution.
Through Bridge Spin Coupling in Homo‐ and Heterobimetallic Porphyrin Dimers upon Stepwise Oxidations: A Spectroscopic and Theoretical Investigation
Authors: Kumar Amit , Usman Mohammad , Samanta Deepannita , Rath Sankar Prasad 
Published: June 2021

AbstractWe have described copper(II)‐iron(III) and copper(II)‐manganese(III) heterobimetallic porphyrin dimers and compared them with the corresponding homobimetallic analogs. UV‐visible spectra are very distinct in the heterometallic species while electrochemical studies demonstrate that these species, as compared to the homobimetallic analog, are much easier to oxidize. Combined Mössbauer, EPR, NMR, magnetic and UV‐visible spectroscopic studies show that upon 2e‐oxidation of the heterobimetallic complexes only ring‐centered oxidation occurs. The energy differences between HOMO and LUMO are linearly dependent with the low‐energy NIR band obtained for the 2e‐oxidized complexes. Also, strong electronic communication between two porphyrin rings through the bridge facilitates coupling between various unpaired spins present while the coupling model depends on the nature of metal ions used. While unpaired spins of Fe(III) and the porphyrin π‐cation radical are strongly antiferromagnetically coupled, such coupling is rather weak between Mn(III) and a porphyrin π‐cation radical. Moreover, the coupling between two π‐cation radicals are much stronger in the 2e‐oxidized complexes of dimanganese(III) and copper(II)‐manganese(III) porphyrin dimers as compared to their diiron(III) and copper(II)‐iron(III) analogs. Furthermore, coupling between the unpaired spins of a π‐cation radical and copper(II) is much stronger in the 2e‐oxidized complex of copper(II)‐iron(III) porphyrin dimer as compared to its copper(II)‐manganese(III) analog. The Mulliken spin density distributions in 2e‐oxidized homo‐ and heterobimetallic complexes show symmetric and asymmetric spread between the two macrocycles, respectively. In both the 2e‐oxidized heterobimetallic complexes, the Cu(II) porphyrin center acts as a charge donor while Fe(III)/Mn(III) porphyrin center act as a charge acceptor. The experimental observations are also strongly supported by DFT calculations.
Effects of geometric parameters of rectangular cooling channel on pyrolysis carbon deposition in fuel‐cooled plates
Authors: Huang Qin , Chen Yu , Bao Zewei , Zhu Quan , Wang Jianli 
Published: June 2021

AbstractIn this paper, the effects of the geometric parameters of a rectangular cooling channel on the amount of pyrolysis carbon deposition in the channel unit of real fuel‐cooled plates under the constraints of fixed overall plate shape and total flow rate are studied. A decoupling algorithm for simulating the carbon deposition on surfaces of three‐dimensional (3D) channels is firstly established, and a carbon deposition rate model is extended for 3D channels. Using the developed method, the processes of pyrolysis carbon deposition in five fuel‐cooled plates with various channel parameters are simulated. The effects of structural parameters on heat transfer, pyrolysis reaction, distribution of carbon deposition, and total carbon deposition amount are discussed. The results show that the channel geometric parameters indirectly affect pyrolysis carbon deposition in two ways: by changing the wall temperature where the carbon deposition reaction occurs through affecting the heat transfer and by changing the concentration of precursors through changing the residence time of fuel. A parameter θ related to the rectangular channel structure and the number of channels is defined. Under the geometric constraints of the channel unit, the smaller design parameter θ is beneficial to reduce carbon deposition in the channel.
Synthesis of stream‐split heat exchanger networks using non‐structural model considering serial equipment in stream branches and submixing of substreams
Authors: Kayange Heri Ambonisye , Cui Guoming , Xu Yue , Xiao Yuan 
Published: June 2021

AbstractThis paper proposes a non‐structural model with stream splits, for heat exchanger network (HEN) synthesis, that allows for submixing of substreams within splits and series connection of exchanger units in a substream. In a submix, one substream totally combines with another non‐isothermally, and by allowing this feature, the designer incurs only piping costs, which are significantly low compared to other HEN costs, and benefits from increased possibility of manipulating substream temperatures. An algorithm employing random walk principles and compulsive evolution is applied for HEN optimization. The method's randomness, which enhances its explorative searching power and efficiency, is an attractive property that matches the proposed model. Four case studies from the literature are solved and annual cost savings of $1800, $7769, and $4771/year are achieved for three of them in comparison with published best solutions, attesting to the effectiveness of the proposed model.
Poly‐l‐lysine Glycoconjugates Inhibit DC‐SIGN‐mediated Attachment of Pandemic Viruses
Authors: Cramer Jonathan , Aliu Butrint , Jiang Xiaohua , Sharpe Timothy , Pang Lijuan , Hadorn Adrian , Rabbani Said , Ernst Beat 
Published: June 2021

AbstractThe C‐type lectin receptor DC‐SIGN mediates interactions with envelope glycoproteins of many viruses such as SARS‐CoV‐2, ebola, and HIV and contributes to virus internalization and dissemination. In the context of the recent SARS‐CoV‐2 pandemic, involvement of DC‐SIGN has been linked to severe cases of COVID‐19. Inhibition of the interaction between DC‐SIGN and viral glycoproteins has the potential to generate broad spectrum antiviral agents. Here, we demonstrate that mannose‐functionalized poly‐l‐lysine glycoconjugates efficiently inhibit the attachment of viral glycoproteins to DC‐SIGN‐presenting cells with picomolar affinity. Treatment of these cells leads to prolonged receptor internalization and inhibition of virus binding for up to 6 h. Furthermore, the polymers are fully bio‐compatible and readily cleared by target cells. The thermodynamic analysis of the multivalent interactions reveals enhanced enthalpy‐driven affinities and promising perspectives for the future development of multivalent therapeutics.
HMGB1 promotes CXCL12‐dependent egress of murine B cells from Peyer's patches in homeostasis
Authors: Spagnuolo Lorenzo , Puddinu Viola , Boss Noémie , Spinetti Thibaud , Oberson Anne , Widmer Jerome , Mottas Inès , Hotz Christian , Bianchi Marco E. , Uguccioni Mariagrazia , Bourquin Carole 
Published: June 2021

AbstractHigh mobility group box‐1 protein (HMGB1) is an alarmin that, once released, promotes inflammatory responses, alone and as a complex with the chemokine CXCL12. Here, we report that the HMGB1–CXCL12 complex plays an essential role also in homeostasis by controlling the migration of B lymphocytes. We show that extracellular HMGB1 is critical for the CXCL12‐dependent egress of B cells from the Peyer's patches (PP). This promigratory function of the complex was restricted to the PPs, since HMGB1 was not required for B‐cell migratory processes in other locations. Accordingly, we detected higher constitutive levels of the HMGB1–CXCL12 complex in PPs than in other lymphoid organs. HMGB1–CXCL12 in vivo inhibition was associated with a reduced basal IgA production in the gut. Collectively, our results demonstrate a role for the HMGB1–CXCL12 complex in orchestrating B‐cell trafficking in homeostasis, and provide a novel target to control lymphocyte migration in mucosal immunity.
Direct C−H Radical Alkylation of 1,4‐Quinones
Authors: Donzel Maxime , Karabiyikli Deniz , Cotos Leandro , Elhabiri Mourad , Davioud‐Charvet Elisabeth 
Published: June 2021

Abstract1,4‐Quinones display unique redox and biological properties and have multiple applications in a wide array of fields, including health. Synthesis of diversely substituted quinone‐based compounds remains difficult and usually consists of multiple step sequences. Interest in direct C−H radical alkylation of 1,4‐quinones has thus continuously grown over this last decade. These reactions involve addition of carbon‐centered radicals generated from radical precursors through decarboxylative alkylation, hydrogen‐atom abstraction, or by carbon‐halogen bond reduction. Recent progresses in radical chemistry, including photoredox catalysis, have provided useful tools for quinone functionalization. This Minireview describes the recent progress with these methodologies, including the new promising three‐component cascade reactions involving quinones and alkenes, allowing for the preparation of complex substituted 1,4‐quinones in a single step.
Reactivity and Applications of Iodine Monochloride in Synthetic Approaches
Authors: Day David P. , Alsenani Nawaf I. , Alsimaree Abdulrahman A. 
Published: June 2021

AbstractOver the last half‐decade, routes towards accessing halogenated compounds of value such as bioactive pharmaceuticals, organic building blocks has been of interest to the synthetic community. The demand for new methodologies to access important compounds has surged over the period. Amongst the halogenating agents available in a chemist's toolbox, one reagent in particular, iodine monochloride (ICl), is relatively under employed in comparison to alternatives such as molecular iodine for example. In this Minireview, we document the most recent applications (2015–2020) of ICl in synthetic organic transformations, namely halogenations including iodinations and chlorination reactions, cyclizations, metathesis reactions as well as oxidation processes. Furthermore, its versatile nature and interesting properties will be discussed, through its advantages and downfalls over other halogenating reagents, and discussions where relevant to compare modes of reactivity and mechanistic insights is presented.
Transition‐Metal‐Free, General Construction of Thioamides from Chlorohydrocarbon, Amide and Elemental Sulfur
Authors: Jin Hao , Chen Xinzhi , Qian Chao , Ge Xin , Zhou Shaodong 
Published: June 2021

AbstractA general method for one‐pot synthesis of thioamides is developed through a three‐component reaction involving chlorohydrocarbon, amide and elemental sulfur. Such a strategy does not only avoid residual transition metal in the product but also prevent the generation of C−N coupling by‐product. The latter is prone to be generated when alkane halide and amine are present. With the protocol proposed in this work, both alkyl and aryl thioamides can be obtained in moderate to excellent yields with a high tolerance of various functional groups. External oxidants are not required in the reaction. In addition, the reaction mechanisms are addressed using a combination of controlling experiments and quantum chemical calculations.
Deriving Human Health and Aquatic Life Water Quality Criteria in the United States for Bioaccumulative Substances: A Historical Review and Future Perspective
Authors: Barnhart Brad , Flinders Camille , Ragsdale Renee , Johnson Giffe , Wiegand Paul 
Published: June 2021

Abstract
Methods used to derive water quality regulations for persistent, bioaccumulative, and toxic substances (PBTs) in the United States have evolved substantially over the past 50 yr, leveraging current understandings and assumptions about the nature and magnitude of partitioning and accumulation of substances in water, sediments, and organisms. In the United States and across the world, environmental regulations continue to evolve into more refined water quality criteria protective of aquatic life and human health. The present review provides historical context on the establishment of aquatic life and human health water quality criteria in the United States by compiling information from regulatory agencies and peer-reviewed literature on methods used to characterize and quantify bioaccumulation of substances in aquatic organisms and humans. Primary data needs and assumptions for various methods, as well as their application in setting criteria by the US Environmental Protection Agency over the past half century, are highlighted. Our review offers an important retrospective on the data and methods used to derive water quality criteria for PBTs and provides commentary on the future of US criteria development. Environ Toxicol Chem 2021;40:2394–2405. © 2021 SETAC
Abstract
Conceptual depiction of US water quality criteria and their accompanying derivation methods, demonstrating evolution over time with varying levels of complexity, accuracy, and data requirements. AI = artificial intelligence.
Mixed time series approaches for forecasting the daily number of hospital blood collections
Authors: Zhang Xinli , Zhao Xin , Mou Xiaoying , Tan Mingying 
Published: June 2021

SummaryPurposeProvide new methods to predict the number of hospital blood collections.MethodsThe registered outpatients and blood collection patients in a large hospital in China in the period from March 2018 to April 2019 were enrolled in the study. Firstly, we analyzed the time series characteristics of the daily blood collection patients and their correlation with the number of daily outpatients. Then, we used the time series ARIMA and linear regression methods to build the periodic trend model of the blood collections number prediction and the regression prediction model with the number of registered outpatients as an independent variable. Finally, we built a combined prediction model considering mixed time series to predict the number of blood collections in the hospital.ResultsThe combined prediction model has a higher accuracy and can better explore the characteristics of the number of blood collections compared with other models. It can also give some suggestions for a reasonable blood collection management.ConclusionThe combined prediction model of mixed time series can reflect the change in the blood collections number due to the influence of internal and external factors and can realize the blood collection prediction with a higher accuracy providing a new method for the prediction of the blood collections number.
A potential pesticides exposure index (PPEI) for developing countries: Applied in a transboundary basin
Authors: Ochoa-Cueva Pablo A. , Arteaga Juan , Arévalo Ana P. , Kolok Alan S. 
Published: June 2021

Abstract
The potential risk of pesticide exposure in developing countries needs further study as data are limited and simple tools to assess the risks on human health and the environment caused by pesticides are lacking. This article introduces a potential pesticides exposure index (PPEI) as a modeling tool to assess the risk of human and environmental pesticide exposure in agricultural basins. The PPEI is based on a number of factors including: human population centers and their proximity to agricultural crops, the toxicological properties of pesticides, and their application frequency. The index was applied to a region in southern Ecuador (approximately 7200 km2) where corn, rice, and sugarcane are the predominant crops, and where hot spots with the highest vulnerability to pesticide residues were identified. Of the total of 5326 neighborhoods for the entire study area, 1030 had high, 1124 had medium, and 1009 had low PPEI scores. Among the practical uses of PPEI are to help to assist regulatory agencies and academics evaluate the effects of land use policies on pesticide vulnerability. Also, it can be easily expanded to include other parameters, such as data from other agricultural crops, or frequency of pesticide application. The PPEI can be a valuable indicator of risk of pesticide exposure, as it is reliable and applicable to developing countries, where data and resources are limited. Integr Environ Assess Manag 2022;18:187–197. © 2021 SETAC
KEY POINTS
A simple and reliable model was proposed for surveillance, monitoring, and control of the use of pesticides. The potential risk of exposure to pesticides for developing countries was assessed with the potential pesticides exposure index (PPEI). The factors used in the PPEI were those indicated to assess the potential risk of exposure to pesticides in countries with limited data.
Association between maternal attitude towards female circumcision and daughter’s circumcision status
Authors: Alemu Dawit G. , Haile Zelalem T. 
Published: June 2021

AbstractObjectiveFemale genital mutilation is a public health problem resulting in multiple health complications. In Ethiopia, female circumcision is widely practiced, with women taking center stage in the perpetuation of the practice. Using the Theory of Planned Behavior for variable selection, the following study assessed the association between maternal attitude towards female circumcision and daughter's circumcision status.MethodsFrom the 2016 Ethiopian Demographic and Health Survey, we analyzed a subsample of 6948 women. The outcome variable assessed daughter's circumcision status; the main independent variable assessed participant's opinion towards female circumcision. We conducted univariate, bivariate, and multiple logistic regression analyses.ResultsIn the bivariate analysis, none of the variables, except for religion, showed any association with daughter's circumcision status. In the multivariable regression model, several variables showed a significant association with daughter's circumcision status. Older, rural, and circumcised women were more likely to have at least one daughter circumcised, but wanting female circumcision to stop, being a Muslim, and having at least a secondary education were negatively associated with daughter's circumcision status.ConclusionOur findings suggest that eliminating female circumcision may require changing maternal attitudes towards the practice by targeting rural, circumcised, and older women with no formal education.