bluuebunny/crossref_metadata_2025_split huggingface dataset:
Energy Minimization
Authors: Gautam Budhayash 
Published: November 2020

The energetic state of a protein is one of the most important representative parameters of its stability. The energy of a protein can be defined as a function of its atomic coordinates. This energy function consists of several components: 1. Bond energy and angle energy, representative of the covalent bonds, bond angles. 2. Dihedral energy, due to the dihedral angles. 3. A van der Waals term (also called Leonard-Jones potential) to ensure that atoms do not have steric clashes. 4. Electrostatic energy accounting for the Coulomb’s Law m protein structure, i.e. the long-range forces between charged and partially charged atoms. All these quantitative terms have been parameterized and are collectively referred to as the ‘force-field’, for e.g. CHARMM, AMBER, AMBERJOPLS and GROMOS. The goal of energy Minimization is to find a set of coordinates representing the minimum energy conformation for the given structure. Various algorithms have been formulated by varying the use of derivatives. Three common algorithms used for this optimization are steepest descent, conjugate gradient and Newton–Raphson. Although energy Minimization is a tool to achieve the nearest local minima, it is also an indispensable tool in correcting structural anomalies, viz. bad stereo-chemistry and short contacts. An efficient optimization protocol could be devised from these methods in conjunction with a larger space exploration algorithm, e.g. molecular dynamics.
La mémoire féconde l’avenir. Genèse du patrimoine immatériel in situ
Authors: Simard Cyril 
Published: November 2020

L’année 2020 marque le 20e anniversaire du dépôt du rapport Arpin sur le patrimoine au Québec qui proposait une définition intégrant le concept de patrimoine immatériel. Ce texte rend compte des réflexions menées au sein de la Société québécoise d’ethnologie, du ministère de la Culture et, plus précisément, de la genèse du concept d’économuséologie qui est expressément fondé sur la mise en valeur du patrimoine immatériel in situ.
« Le tour de mon jardin ». Expressions familiales du quartier Saint-Sauveur de Québec au siècle dernier
Authors: Pichette Jean-Pierre 
Published: November 2020

Étonné de ne pas trouver dans les dictionnaires bon nombre de termes français, pourtant courants autour de lui, l’auteur entreprenait de les noter en 1968 dans une « enquête familiale et vicinale ». Sa collection, riche témoignage de la langue parlée au xxe siècle à Saint-Sauveur, un quartier populaire de la ville de Québec, alimentera ses mémoires de licence et son étude des jurons. Récemment, il a extrait de ce fichier, recensant plus de 3 000 attestations, quelques dizaines d’exemples pour illustrer l’art de vivre de sa mère, une maîtresse de maison typique au verbe coloré. Il a bien voulu ouvrir le livret confidentiel destiné à sa parenté immédiate et présenter ici les mots et locutions qui y sont inscrits.
Psychiatrie, soins palliatifs et de fin de vie : des univers (ir)réconciliables? Le cas de madame Sanchez
Authors: Bouthillier Marie-Eve , Vaillancourt Hugues 
Published: November 2020

Contexte : En psychiatrie, la question d’offrir des soins palliatifs et de fin de vie pour ce qui serait une « condition psychiatrique terminale » ou, plus globalement, de considérer adopter une approche palliative pour des problèmes de santé mentale sévères et persistants constitue encore un tabou. Méthodologie : Cette question est abordée par l’analyse d’un cas effectuée lors d’une consultation en éthique clinique à l’aide de la méthode des scénarios d’Hubert Doucet. Il s’agit de madame Sanchez, une patiente âgée de plus de 90 ans, présentant des troubles psychiatriques, exprimant le désir de mourir par des gestes suicidaires, refusant les traitements proposés, ainsi que refusant de boire et manger. Son histoire clinique est racontée par le filtre de l’accompagnement réflexif offert en éthique clinique aux diverses parties prenantes. Résultats : L’analyse de cas, loin de répondre aux défis posés par le concept des soins palliatifs et de fin de vie en contexte psychiatrique, présente néanmoins une occasion d’en nommer les enjeux éthiques principaux : la souffrance psychique, le refus de manger et de boire ainsi que le refus de traitement, la sédation palliative et l’aide médicale à mourir, les volontés et directives médicales anticipées, ainsi que les défis clinico-organisationnels suscités par la clientèle gérontopsychiatrique. Conclusion : Les défis cliniques et éthiques demeurent nombreux pour les professionnels et les décideurs afin de répondre aux besoins de la clientèle de santé mentale très âgée. Nous appelons à un plus grand développement des connaissances sur ce thème précis.
La contribution de l’approche par les capabilités d’Amartya Sen à la pratique professionnelle en santé mentale : une analyse éthique
Authors: Doucet Hubert 
Published: November 2020

L’étude cherche à montrer la contribution de l’approche par les capabilités d’Amartya Sen à la pratique professionnelle en santé mentale. Pour le faire, le texte précise d’abord la transformation qu’a connue le champ de la santé mentale depuis les 50 dernières années. Le « rétablissement », avec son accent mis sur l’empowerment de l’usager, témoigne de ce renouvellement. Dans une deuxième partie, est présentée l’approche par les capabilités d’Amartya Sen. Si celle-ci vise à renforcer le pouvoir des individus à choisir eux-mêmes la vie qu’ils aspirent à mener, se pose alors le problème des personnes qui sont privées de la liberté de choisir. Entre ici en jeu la justice qui est inséparable de la liberté. La troisième partie de l’étude aborde la question de la contribution de la pensée de Sen à la pratique professionnelle en santé mentale. Qu’apporte-elle de plus que ce qu’apporte déjà le rétablissement avec la valorisation de l’autonomie du sujet? Il y est discuté du fondement anthropologique qu’elle valorise, de même que des implications pour la pratique des intervenants. Ainsi, en conclusion, le lecteur peut constater que l’approche de Sen modifie la perspective bioéthique classique prédominante depuis les années 1980.
Les ficelles de la collaboration dans l’analyse de l’activité au sein d’un groupe de recherche collaborative
Authors: Hubert Bruno , Pierrisnard Christine , Vannier Marie-Paule 
Published: November 2020

Quelles sont les ficelles mises en oeuvre pour créer un groupe de recherche collaborative réunissant des formateurs en Institut de Formation de Soins Infirmiers (IFSI) et trois chercheurs en sciences de l’éducation ? Dans le cadre de leur formation universitaire, ces formateurs ont bénéficié d’un accompagnement par le récit pour analyser et développer leur pratique professionnelle. L’analyse d’un corpus constitué des premiers échanges au sein du groupe montre le rôle central que joue le récit en lui-même, la découverte mutuelle des cultures et des habitus, l’émergence et la discussion d’un genre et son ajustement par les styles, la souplesse recherchée dans l’étayage et dans la temporalité.
How relative deprivation increases aggressive behavior: Exploring the moderating roles of resource scarcity, deprivation intensity, and sanctions in a game task
Authors: Kassab Yara , Isemann Simon D. , Halbeisen Georg , Walther Eva 
Published: November 2020

AbstractThe present work investigated the influence of experimentally manipulated relative deprivation (RD) on aggressive behavior in a game context. Participants experienced personal RD as the difference between own rewards and the rewards of a fictitious other player. Going beyond previous research, three yet‐unexplored moderators of the RD–aggression link were experimentally tested: In Experiment 1 (N = 157), we tested the effect of the scarcity of resources one is deprived of, and the intensity of the RD experience in terms of the magnitude of the disadvantaged comparison. In Experiment 2 (N = 195), we investigated whether aggressive behavior is influenced by imposing possible or actual sanctions (i.e., costs) for aggression. The results show effects on aggressive behavior toward the other player that were mediated by the personal perception of RD and that only actual but not possible costs eliminated this indirect effect. Implications for the aggression‐related behavioral consequences of RD are discussed.
Observers use facial masculinity to make physical dominance assessments following 100‐ms exposure
Authors: Albert Graham , Wells Erika , Arnocky Steven , Liu Chang Hong , Hodges‐Simeon Carolyn R. 
Published: November 2020

AbstractResearch has consistently demonstrated that faces manipulated to appear more masculine are perceived as more dominant. These studies, however, have used forced‐choice paradigms, in which a pair of masculinized and feminized faces was presented side by side. These studies are susceptible to demand characteristics, because participants may be able to draw the conclusion that faces which appear more masculine should be rated as more dominant. To prevent this, we tested if dominance could be perceived when masculinized or feminized faces were presented individually for only 100 ms. We predicted higher dominance ratings to masculinized faces and better memory of them in a surprise recognition memory test. In the experiment, 96 men rated the physical dominance of 40 facial photographs (masculinized = 20, feminized = 20), which were randomly drawn from a larger set of faces. This was followed by a surprise recognition memory test. Half of the participants were assigned to a condition in which the contours of the facial photographs were set to an oval to control for sexual dimorphism in face shape. Overall, men assigned higher dominance ratings to masculinized faces, suggesting that they can appraise differences in facial sexual dimorphism following very brief exposure. This effect occurred regardless of whether the outline of the face was set to an oval, suggesting that masculinized internal facial features were sufficient to affect dominance ratings. However, participants' recognition memory did not differ for masculinized and feminized faces, which could be due to a floor effect.
Observation of Standing Spin Waves in a van der Waals Magnetic Material
Authors: Kapoor Lucky N. , Mandal Supriya , Adak Pratap Chandra , Patankar Meghan , Manni Soham , Thamizhavel Arumugam , Deshmukh Mandar M. 
Published: November 2020

AbstractSpin waves are studied for data storage, communication, and logic circuits in the field of spintronics based on their potential to substitute electrons. The recent discovery of magnetism in 2D systems such as monolayer CrI3 and Cr2Ge2Te6 has led to a renewed interest in such applications of magnetism in the 2D limit. Here, direct evidence of standing spin waves is presented along with the uniform precessional resonance modes in the van der Waals magnetic material, CrCl3. This is the first direct observation of standing spin‐wave modes, set up along a thickness of 20 mm, in a van der Waals material. Standing spin waves are detected in the vicinity of both branches, optical and acoustic, of the antiferromagnetic resonance. Magnon–magnon coupling and softening of resonance modes with temperature enable extraction of interlayer exchange field as a function of temperature.
Electrochemical Delamination of Ultralarge Few‐Layer Black Phosphorus with a Hydrogen‐Free Intercalation Mechanism
Authors: Wang Ning , Mao Nannan , Wang Zhien , Yang Xue , Zhou Xi , Liu Haining , Qiao Shanlin , Lei Xingfeng , Wang Junru , Xu Hua , Ling Xi , Zhang Qiuyu , Feng Qingliang , Kong Jing 
Published: November 2020

AbstractDue to strong interlayer interaction and ease of oxidation issues of black phosphorus (BP), the domain size of artificial synthesized few‐layer black phosphorus (FL‐BP) crystals is often below 10 µm, which extremely limits its further applications in large‐area thin‐film devices and integrated circuits. Herein, a hydrogen‐free electrochemical delamination strategy through weak Lewis acid intercalation enabled exfoliation is developed to produce ultralarge FL‐BP single‐crystalline domains with high quality. The interaction between the weak Lewis acid tetra‐n‐butylammonium acetate (CH3COOTBA) and P atoms promotes the average domain size of FL‐BP crystal up to 77.6 ± 15.0 µm and the largest domain size is found to be as large as 119 µm. The presence of H+ and H2O is found to sharply decrease the size of as‐exfoliated FL‐BP flakes. The electronic transport measurements show that the delaminated FL‐BP crystals exhibit a high hole mobility of 76 cm2 V–1 s–1 and an on/off ratio of 103 at 298 K. A broadband photoresponse from 532 to 1850 nm with ultrahigh responsivity is achieved. This work provides a scalable, simple, and low‐cost approach for large‐area BP films that meet industrial requirements for nanodevices applications.
The Importance of Schottky Barrier Height in Plasmonically Enhanced Hot‐Electron Devices
Authors: Zhao Shenyou , Yin Yanting , Peng Jun , Wu Yiliang , Andersson Gunther G. , Beck Fiona J. 
Published: November 2020

AbstractPlasmonically enhanced hot‐electron (PEH) photodiodes are a new class of optoelectronic device with the potential to be selective to spectral position, polarization, and bandwidth. Reported solid‐state PEH devices based on metal nanoparticles generally have low performance, in part, due to low collection efficiency of photogenerated hot electrons. A correlation is found between the measured external quantum efficiency (EQE) and the temperature at which the ALD‐TiO2 is deposited by atomic layer deposition (ALD) in Au–TiO2‐based PEH photodiodes. By investigating the material properties of the TiO2, it is demonstrated that the change in EQE is driven by a change in the energy levels in the semiconductor. The results show that lowering the implied Schottky barrier height increases the collection efficiency of hot electrons over the junction, in agreement with existing analytical models. This work demonstrates the crucial role that barrier height plays in hot electron devices in general, and indicates that this is an important design consideration for the improvement of PEH photodetectors.
Layer‐Dependent Exciton Modulation Characteristics of 2D MoS2 Driven by Acoustic Waves
Authors: Sheng Lihang , Tai Guoan , Yin Yonghe , Hou Chuang , Wu Zitong 
Published: November 2020

AbstractAcoustic waves were recently utilized to modulate and control the electronic, optical, and magnetic properties of 2D materials. Among 2D materials, the mechanically exfoliated MoS2 with a perfect crystal structure provides an ideal platform to study its exciton characteristics. However, layer‐dependent exciton modulation characteristics of the 2D materials are still not systematically investigated under acoustic waves. Here, the in situ confocal fluorescence spectroscopy is used to probe the behavior of the excitons in 2D MoS2 under acoustic excitation. The high‐frequency acoustic field with a radial vibration frequency of 200 kHz is used as the excitation source which is produced by the piezoelectric ceramic chip. The results show that the exciton characteristics strongly depend on the layer numbers of the MoS2: under acoustic excitation, the fluorescence quenching degree in the odd layers of the sheets with intrinsic piezoelectricity is remarkably larger than that in the even layers without piezoelectricity; moreover, the PL peak position of the MoS2 with the odd layers is blue‐shifted with increase of the applied power while that with the even layers remains unchanged. Thus, this work paves the way to develop high‐performance optical and optoelectronic devices driven by acoustic waves.
Optimizing Surface Chemistry of PbS Colloidal Quantum Dot for Highly Efficient and Stable Solar Cells via Chemical Binding
Authors: Hu Long , Lei Qi , Guan Xinwei , Patterson Robert , Yuan Jianyu , Lin Chun‐Ho , Kim Jiyun , Geng Xun , Younis Adnan , Wu Xianxin , Liu Xinfeng , Wan Tao , Chu Dewei , Wu Tom , Huang Shujuan 
Published: November 2020

AbstractThe surface chemistry of colloidal quantum dots (CQD) play a crucial role in fabricating highly efficient and stable solar cells. However, as‐synthesized PbS CQDs are significantly off‐stoichiometric and contain inhomogeneously distributed S and Pb atoms at the surface, which results in undercharged Pb atoms, dangling bonds of S atoms and uncapped sites, thus causing surface trap states. Moreover, conventional ligand exchange processes cannot efficiently eliminate these undesired atom configurations and defect sites. Here, potassium triiodide (KI3) additives are combined with conventional PbX2 matrix ligands to simultaneously eliminate the undercharged Pb species and dangling S sites via reacting with molecular I2 generated from the reversible reaction KI3 ⇌ I2 + KI. Meanwhile, high surface coverage shells on PbS CQDs are built via PbX2 and KI ligands. The implementation of KI3 additives remarkably suppresses the surface trap states and enhances the device stability due to the surface chemistry optimization. The resultant solar cells achieve the best power convention efficiency of 12.1% and retain 94% of its initial efficiency under 20 h continuous operation in air, while the control devices with KI additive deliver an efficiency of 11.0% and retains 87% of their initial efficiency under the same conditions.
Online food prices during the COVID‐19 pandemic
Authors: Hillen Judith 
Published: November 2020

AbstractDuring the coronavirus disease‐2019 pandemic, online grocery shopping experienced a never seen popularity in many countries. To study how the globally active online grocer Amazon Fresh reacted to this extraordinary demand increase, we analyzed a large dataset of daily price quotes for over 19,000 products for the customer location, Los Angeles. We found that contrary to the US consumer food price index, the overall price level at Amazon Fresh did not increase during the pandemic, but even slightly decreased for several product groups. Amazon seems to follow its low‐price strategy also in the grocery sector, even in times of high demand. However, during the lockdown phase, there were more price increases for certain highly demanded product groups such as frozen and prepared foods. Moreover, fewer prices were communicated as promotional prices. Because this change did not influence the general price level, we conclude that such promotional prices are used more as a marketing tool than as a price‐setting instrument.
A descriptive analysis of the COVID‐19 impacts on U.S. pork, turkey, and egg markets
Authors: Hayes Dermot J. , Schulz Lee L. , Hart Chad E. , Jacobs Keri L. 
Published: November 2020

AbstractThe novel coronavirus SARS‐CoV2 (COVID‐19) severely disrupted the U.S. food supply chain. In its initial aftermath, and as we contemplate a potential reignition, the food supply chain industries, researchers, and policy makers search for evidence, causes, and consequences. This article uses publicly available data on the pork and egg industries and a survey of the turkey industry as a first step to document the impact of COVID‐19. Researchers can learn from the experiences in industries where disruptions evolve differently in the face of simultaneous supply‐ and demand‐side shocks and that stem from differences in structures of the supply chains. This early evidence is used to motivate future research needs and highlight opportunities for industry investments in resiliency strategies.
Risk perception and determinants in small‐ and medium‐sized agri‐food enterprises amidst the COVID‐19 pandemic: Evidence from Egypt
Authors: Abu Hatab Assem , Lagerkvist Carl‐Johan , Esmat Abourehab 
Published: November 2020

AbstractThe coronavirus disease‐2019 (COVID‐19) pandemic has disrupted many activities along agri‐food supply chains in developing countries and posed unprecedented challenges in particular to small and medium agri‐food enterprises (SMEs). Drawing on a survey of 166 Egyptian agri‐food SMEs, this study investigates differences in‐ and determinants of COVID‐19 business risk perception among these enterprises. The empirical results showed that risk perception was highly asymmetric across geographical regions. Enterprises with longer cash flow coverage periods and higher values of total assets perceived significantly lower risk levels, as cash and assets functioned as a buffer against the impact of COVID‐19. The findings of the study imply that the “just‐in‐time” approach and the absence of a proactive and preventative stance to risk management reduced the resilience of agri‐food SMEs to the risks presented by the pandemic. Generally, enterprises that operate both in domestic and export markets perceived lower COVID‐19 risks. Finally, the main export destination to which the surveyed enterprises export was a significant determinant of their risk perception. These findings could be useful to managers of agri‐food businesses in terms of better understanding of risks and promotion of risk management practices. More so, they can help design effective policy interventions to mitigate the impacts of the pandemic on Egyptian agri‐food SMEs and build up their resilience to future pandemics and shocks.
Secondary rail car markets for grain transportation and basis values
Authors: Wilson William , Lakkakula Prithviraj 
Published: November 2020

AbstractCommodity marketing firms’ logistical strategies have escalated in importance in recent years and are a significant factor that affects interfirm competition. Railroads have formulated pricing and allocation mechanisms for rail‐cars, resulting in a relationship between basis values in commodity markets and logistical performance, including rail‐car velocity (trips per month). This study estimates the determinants of and relationship between the Pacific Northwest export basis for soybean and rail‐car values in the secondary market, as well as to evaluate the simultaneity between these variables. The results indicate that the export basis and rail‐car values in the secondary market are determined simultaneously, which has important implications for commodity trading firms and for analysts (both private and public) of the commodity marketing system.
Food consumption behavior during the COVID‐19 pandemic
Authors: Chenarides Lauren , Grebitus Carola , Lusk Jayson L. , Printezis Iryna 
Published: November 2020

AbstractWe conducted an online consumer survey in May 2020 in two major metropolitan areas in the United States to investigate food shopping behaviors and consumption during the pandemic lockdown caused by COVID‐19. The results of this study parallel many of the headlines in the popular press at the time. We found that about three‐quarters of respondents were simply buying the food they could get due to out of stock situations and about half the participants bought more food than usual. As a result of foodservice closures, consumers indicated purchasing more groceries than normal. Consumers attempted to avoid shopping in stores, relying heavily on grocery delivery and pick‐up services during the beginning of the pandemic when no clear rules were in place. Results show a 255% increase in the number of households that use grocery pickup as a shopping method and a 158% increase in households that utilize grocery delivery services. The spike in pickup and delivery program participation can be explained by consumers fearing COVID‐19 and feeling unsafe. Food consumption patterns for major food groups seemed to stay the same for the majority of participants, but a large share indicated that they had been snacking more since the beginning of the pandemic which was offset by a sharp decline in fast food consumption.