bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of Molecular Weight on Molecular Doping Efficiency of Conjugated Polymers and Resulting Thermoelectric Performances
Authors: Yoon Sang Eun , Kim Bomi , Chun So Yeon , Lee Sang Yeon , Jeon Dohyeon , Kim Minju , Lee Solin , Seo Bo Eun , Choi Kang Suh , Kim Felix Sunjoo , Kim Taekyeong , Seo Hyungtak , Kwak Kyungwon , Kim Jong H. , Kim BongSoo 
Published: May 2022

AbstractThe effect of molecular weight of a series of conjugated polymers (CPs) on the doping efficiency, electrical conductivity, and related thermoelectric properties of doped CPs is studied. Low (L), medium (M), and high (H) molecular weight batches of PDFD‐T polymers, based on difluorobenzothiadiazole and dithienosilole moieties, are synthesized and denoted as PDFD‐T(L), PDFD‐T(M), and PDFD‐T(H), respectively. Furthermore, to compare the effects of different donor moieties, donor units of PDFD‐T(L) are structurally modified from thiophene to thienothiophene (TT) and dithienothiophene (DTT), denoted as PDFD‐TT(L) and PDFD‐DTT(L), respectively. After doping the CPs with FeCl3, d‐PDFD‐T(H) exhibits an electrical conductivity of 402.9 S cm−1, which is significantly higher than those of d‐PDFD‐T(L), d‐PDFD‐T(M), d‐PDFD‐TT(L), and d‐PDFD‐DTT(L). The highest power factor of 101.1 µW m−1 K−2 is achieved through organic thermoelectric devices fabricated using PDFD‐T(H). Through various characterizations, it is demonstrated that CPs with a high molecular weight tend to have a high carrier mobility while maintaining their original crystallinity and good charge transport pathways even after doping. Therefore, it is suggested that optimizing the molecular weight of CPs is an essential strategy for maximal power generation from their doped CP films.
Combinatorial Physical Vapor Deposition : A New Methodology for Exploring Eco‐friendly Composition for Halide‐based Resistive Switching Memory
Authors: Lee SangMyeong , Kim Won Bin , Kim Hee Jung , Choi Jin Hyuk , Lee Jae Myeong , Gong Oh Yeong , Jung Hyun Suk 
Published: May 2022

AbstractDue to the excellent charge mobility and tunable composition engineering, halide materials are being considered as new resistive switching (RS) memory materials. However, conventional halide materials‐based RS memory devices primarily comprise lead‐based compounds and solution‐based processes, implying that researching new compositions for eco‐friendly RS memory one‐by‐one synthesis would be extremely time consuming. This study reports the fabrication of an eco‐friendly RS memory composition using a combinatorial physical vapor deposition (PVD) technique. The fabricated films are classified into three device types: RS memory, write‐only‐read‐many, and insulator device type, based on the mole fraction of bismuth sulfide (Bi2S3). The 0.75BiI3–0.25Bi2S3 mixture devices exhibit reliable and stable RS memory characteristics with an electroforming‐free process. Additionally, the study of cohesive, formation, and migration energies via first‐principles simulations demonstrate that the type of device changes because of their inability to develop and migrate their anion vacancies, implying that the amorphous nature of the device cannot retard the movement of iodine vacancies. This study is the first to investigate a new composition of eco‐friendly halide materials‐based RS memory via the combinatorial PVD method. These findings will serve as a powerful tool for investigating new compositions of eco‐friendly RS memory.
Wine industry perceptions and reactions to the COVID‐19 crisis in the Old and New Worlds: Do business models make a difference?
Authors: Niklas Britta , Cardebat Jean‐Marie , Back Robin M. , Gaeta Davide , Pinilla Vicente , Rebelo João , Jara‐Rojas Roberto , Schamel Guenter 
Published: May 2022

AbstractThe COVID‐19 crisis has severely impacted the wine industry, with producers in different countries affected differently and, therefore, differing in their perceptions toward it. These differing perceptions are assumed to be due to different business models, mainly linked to the distribution system adopted and resulting in varying distances of producers to distributors and consumers. While upstream integration characterizes the Old World, the New World applies a downstream business model, being more closely linked to distributors and consumers and, therefore, more vulnerable to shocks, which should lead to higher perceived impacts of the COVID‐19 crisis. This study analyzes 542 surveys collected from wineries in nine countries, divided into New World, historical Old World, and emerging Old World. Econometric results show statistically significant differences in both the perceived impact of COVID‐19 and wineries' responses in terms of planned investments, with the New World being more affected. A common desire by wineries to direct future investments towards direct‐to‐consumer sales and communication was found, to the detriment of investments in vineyards and cellars. This desire is particularly strong in the New World, in line with their focus on the downstream part of the value chain, underlying their greater reactivity to shocks and capacity to innovate. [EconLit Citations: D22; L21; L66; Q13].
Fine motor skills and motor control networking in developmental age
Authors: Bondi Danilo , Robazza Claudio , Lange‐Küttner Christiane , Pietrangelo Tiziana 
Published: May 2022

AbstractObjectivesWe investigated the relationships between fine motor skills, fitness, anthropometrics, gender and perceived motor performance in school beginners. The aim of our study was to delineate whether and to what extent fine motor control would show meaningful synchrony with other motor variables in the age of onset of handwriting in school.MethodsA sample of N = 239 of 6‐to‐8‐year‐old children were tested with an array of tasks measuring fine motor (i.e., dexterity and speed) and grapho‐motor performance (tracing on a tablet screen), anthropometric indexes, and fitness (shuttle run) measures. A subset of 95 children was also tested for perceived motor competence.ResultsIn spite of an overall poor anthropometric condition, our participants were relatively fit. As expected, older children performed better in both, fine motor tasks and the shuttle test. The girls were better in fine motor skills, and an original speed‐quality trade‐off in the drawing was found. However, the magnitude of difference by grade was greater for boys' fine motor skills than those of girls'. A network analysis revealed three specific clusters, (1) perceived competencies, (2) fitness, and (3) fine motor skills.ConclusionsGiven the relative independence of these areas of physical performance, we suggest focusing on these three clusters as distinct areas of physical education. Fine motor skills deserve further consideration, especially at an early school age. We have demonstrated that network analysis and technology devices used to evaluate motor development are useful and meaningful tools.
Disassociation of social and sexual partner relationships in a gibbon population with stable one‐male two‐female groups
Authors: Huang Xia , Hu Nai‐qing , He Kai , Guan Zhen‐hua , Garber Paul A. , Chapman Colin A. , Jiang Xue‐long , Fan Peng‐fei 
Published: May 2022

AbstractAdult males living in a one‐male multi‐female social group are expected to try to monopolize copulations with resident females to increase reproductive fitness. Gibbons have traditionally been described as living in monogamous groups, with the sole resident adult male assumed to sire all of the group's offspring. Here, we used microsatellite analyses and behavioral observations to examine rates of extra‐group paternity (EGP) over 16 years in a population of crested gibbons (Nomascus concolor) that form stable and long‐term one‐male two‐female social units. Forty percent of offspring (N = 14) were sired by extra‐group males. To understand this high level of EGP, we tested whether inbreeding avoidance was related to EGP. Females who engaged in EGP did not show larger pairwise relatedness with their resident male compared to females who did not engage in EGP. Nevertheless, the standardized heterozygosity of EGP offspring was significantly higher than for offspring sired by the group's resident male. These results provide partial support for the inbreeding avoidance hypothesis. It appears that resident male crested gibbons are unable to monopolize resident females' matings. Our results indicate that long‐term social partners are often distinct from sexual partners in this population. Clearly, the breeding system of crested gibbons is more flexible than previously thought, indicating a need for integrating long‐term behavioral data and genetic research to re‐evaluate gibbon social and sexual relationships derived from concepts of monogamy and pair‐bonding.
When males have females on their backs: Male's tolerance, solicitation, and use of female–male mounting in Japanese macaques
Authors: Gunst Noëlle , Leca Jean‐Baptiste , Vasey Paul L. 
Published: May 2022

AbstractPrevious research on Japanese macaques has shown that female‐to‐male mounting (FMM) is performed by some females as an exaggerated form of sexual solicitation that may occur in the context of high female competition for male mates. This supernormal courtship behavior functions to prompt subsequent male‐to‐female mounting. In this report, we focused on the male consort partners' responses to FMM. We studied a free‐ranging population of Japanese macaques at Arashiyama, Japan, in which FMM is frequent and prevalent. We analyzed 240 consortships involving 31 females and 19 males. We tested three hypotheses regarding male's tolerance, solicitation, and use of FMM. First, we found that FMM was tolerated by male mountees who were no more likely to aggress their female partners during a short time window around a FMM than they were during the rest of the consortship period. Second, we showed that FMM could be triggered by male recipients, via explicit male‐to‐female sexual solicitations. Third, we found that some males may utilize FMM in a quest for their own sexual stimulation, which sometimes culminated in masturbation by the male during FMM. Our findings indicate that male partners facilitate the expression of FMM both passively (via their tolerance) and actively (via their solicitation). In addition, FMM appears to enhance the sexual arousal of male partners during consortships. We argued that, for females to have expanded their repertoire of sexual solicitations by adopting FMM, male mates must have played a role in the evolutionary origins and maintenance of this nonconceptive but intense and powerful female mating tactic.
Catalytic Atroposelective Electrophilic Amination of Indoles
Authors: Qin Jingyang , Zhou Tong , Zhou Tai‐Ping , Tang Langyu , Zuo Honghua , Yu Huaibin , Wu Guojiao , Wu Yuzhou , Liao Rong‐Zhen , Zhong Fangrui 
Published: May 2022

AbstractReported here is the first catalytic atroposelective electrophilic amination of indoles, which delivers functionalized atropochiralN‐sulfonyl‐3‐arylaminoindoles with excellent optical purity. This reaction was furnished by 1,6‐nucleophilic addition top‐quinone diimines. Control experiments suggest an ionic mechanism that differs from the radical addition pathway commonly proposed for 1,6‐addition to quinones. The origin of 1,6‐addition selectivity was investigated through computational studies. Preliminary studies show that the obtained 3‐aminoindoles atropisomers exhibit anticancer activities. This method is valuable with respect to enlarging the toolbox for atropochiral amine derivatives.
Electron and gamma irradiation‐induced effects in poly(ethylene‐co‐tetrafluoroethylene) films
Authors: Hao Lam Hoang , Hieu Dinh Tran Trong , Luan Le Quang , Phuong Huynh Truc , Dinh Van‐Phuc , Tuyen Luu Anh , Hong Pham Thi Thu , Van Man Tran , Tap Tran Duy 
Published: May 2022

AbstractThe effect of high‐energy radiation in poly(ethylene‐co‐tetrafluoroethylene) (ETFE) films has been extensively investigated. However, the microstructure and molecular changes of the film under different irradiation conditions are less well‐understood. In this study, microstructure and molecular changes in ETFE films induced by gamma and electron irradiation with doses of 0–800 kGy are investigated using FTIR, UV–Vis, XRD, contact angle, SEM, and AFM measurements. The irradiated ETFE films show a linear dose–response relation in the dose range of 50–400 kGy. In particular, in the low doses of 50–150 kGy, the crystallization in the irradiated amorphous regions and the partial degradation of inherent crystalline layers are observed. In the irradiation doses higher than 150 kGy, the degradation of newly generated crystalline areas and the recrystallization of disordering regions take place. Moreover, the microstructure alterations occur within the bulk and at the surface of the irradiated films. The 2‐year shelf‐aged films exhibit the partial preservation of chemical structures with the low oxidation effects, plus the features of linear dose–response with doses of 50–400 kGy. The obtained results provide a further understanding of radiation‐induced effects in the ETFE films, which is the basic to extend their applications, especially in radiation resistance and dosimetry.
2‐Methoxyethyl Nitrite as a Reagent for Chemoselective On‐Water Nitration
Authors: Kitanosono Taku , Hashidoko Airu , Yamashita Yasuhiro , Kobayashi Shū 
Published: May 2022

AbstractAn on‐water approach has been developed that allows a nitration of tyrosines and phenols under mild conditions. We envisioned that the assembly of tyrosine/tyrosyl radical couples with interfacial water molecules would realize a biomimetic stacking hydrogen atom transfer (HAT) transition state to facilitate the electron‐transfer process. The optimal organic nitrite, 2‐methoxyethyl nitrite, resulted in rapid coupling of the tyrosyl radicals with ⋅NO2 at the oil–water interface to afford the nitrated phenols. Many characteristics found in our on‐water strategy are distinct from other complementary systems that include radical nitration. These enticing roles of water in the reaction process introduce new avenues to explore in the design of synthetic organic chemistry systems.
Open‐Source vapor compression library (VCLib): Heat pump modeling for education and research
Authors: Vering Christian , Engelpracht Mirko , Göbel Stephan , Hoseinpoori Sina , Wüllhorst Fabian , Schwenzer Christian , Rademacher Matti , Hinrichs Sven , Chandra Friederike , Mehrfeld Philipp , Müller Dirk 
Published: May 2022

AbstractVapor compression cycles have gained high importance due to increasing concerns regarding the decarbonization of heating and cooling applications. Typically, vapor compression cycles operate under dynamic conditions, making it difficult to predict their performance accurately. Dynamic simulation models present a decent solution for increasing the reliability of the performance assessment. However, the implementation of dynamic simulation models is a complex task, requiring a uniform description and model development. Therefore, this article introduces an open‐source Vapor Compression Library called VCLib based on a literature review of existing libraries for modeling and simulation of vapor compression cycles. The VCLib combines simulation models from the refrigerant through the component to the system level. The simulation models in the VCLib strictly follow a modular and scalable modeling approach. Class diagrams vividly describe the structure of models, making the VCLib easy to use for new users, especially students. The VCLib is open‐source and accessible to support educational and research purposes: https://github.com/RWTH-EBC/X-HD/
Perspectives on mental health difficulties amongst second‐generation Chinese individuals in Germany: Stigma, acculturation, and help seeking
Authors: Shu Jin Li , Alleva Jessica M. , Stutterheim Sarah E. 
Published: May 2022

AbstractMigration demands may put Chinese people living abroad at higher risk for mental health difficulties. However, mental illness is stigmatised and often neglected. The aim of this study was to investigate mental illness stigma endorsement amongst second‐generation Chinese individuals in Germany and explore the role of acculturation and stigma on mental health service‐seeking behaviours. In semi‐structured interviews with 23 second‐generation Chinese individuals, half of whom had a history of mental illness and half did not, we explored beliefs contributing to mental illness stigma, manifestations of stigma, the influence of acculturation, experience with mental health difficulties, and barriers to help seeking. Findings indicate that, within Chinese immigrant communities, people with mental illness are perceived as crazy, abnormal, weak, of poor character, having poor genes, or coming from a ‘bad’ family. Manifestations of mental illness stigma were avoidance, social exclusion, labelling, blame, and gossip. Stigma by association of family members was also reported. Acculturation appeared to attenuate stigma endorsement with most participants expressing considerate attitudes towards people with mental illness. However, acculturation also contributed to mental health difficulties through intergenerational differences in view on mental illness and help seeking. Findings highlight the importance of considering family dynamics when providing mental health services to second‐generation Chinese individuals.
Synthesis, resolution, and absolute configuration determination of a vicinal amino alcohol with axial chirality. Application to the synthesis of new box and pybox ligands
Authors: López‐Ram‐de‐Víu Pilar , Gálvez José A. , Díaz‐de‐Villegas María D. 
Published: May 2022

AbstractNew racemic vicinal amino alcohol derivatives with 4‐benzylidenecyclohexane skeleton and axial chirality have been prepared. A preparatively easy and efficient protocol for resolution of the N‐benzoylamino alcohol is described. Using a 250 × 20 mm (L × ID) Chiralpak® IA column, and the appropriate mixture of n‐hexane/ethanol/chloroform as eluent, both enantiomers of N‐benzoylamino alcohol 3 are obtained with >99% enantiomeric excess (ee) by successive injections of a solution of the racemic sample in chloroform. The obtained axially chiral vicinal amino alcohol is used to synthesize structurally novel bisoxazoline ligands in high yields.
Water Oxidation Catalyzed by a Bioinspired Tetranuclear Manganese Complex: Mechanistic Study and Prediction
Authors: Li Man , Liao Rong‐Zhen 
Published: May 2022

AbstractDensity functional theory calculations were utilized to elucidate the water oxidation mechanism catalyzed by polyanionic tetramanganese complex a [MnIII3MnIVO3(CH3COO)3(A‐α‐SiW9O34)]6−. Theoretical results indicated that catalytic active species 1 (Mn4III,III,IV,IV) was formed after O2 formation in the first turnover. From 1, three sequential proton‐coupled electron transfer (PCET) oxidations led to the MnIV‐oxyl radical 4 (Mn4IV,IV,IV,IV−O⋅). Importantly, 4 had an unusual butterfly‐shaped Mn2O2 core for the two substrate‐coordinated Mn sites, which facilitated O−O bond formation via direct coupling of the oxyl radical and the adjacent MnIV‐coordinated hydroxide to produce the hydroperoxide intermediate Int1 (Mn4III,IV,IV,IV−OOH). This step had an overall energy barrier of 24.9 kcal mol−1. Subsequent PCET oxidation of Int1 to Int2 (Mn4III,IV,IV,IV−O2⋅) enabled the O2 release in a facile process. Furthermore, apart from the Si‐centered complex, computational study suggested that tetramanganese polyoxometalates with Ge, P, and S could also catalyze the water oxidation process, where those bearing P and S likely present higher activities.
Increasing fan‐in and fan‐out of the quantum phase slip junction‐based logic gates
Authors: Omranpour Shadi , Hashemi Seyed Amir 
Published: May 2022

AbstractFan‐in and fan‐out of the quantum phase slip junction (QPSJ)‐based two‐input AND and OR gates are increased for the first time. For increasing their fan‐in, critical voltage, normal and sub‐gap resistances, and kinetic inductance of their constituent QPSJs are changed, and only input and buffer QPSJs are added to the gate. The number of elements in the proposed three‐ and four‐input OR and three‐ and four‐input AND gates is 13, 16, 16, and 20, respectively, which are fewer than those in the serial connection method. For increasing the fan‐out to two, only the mentioned parameters of the constituent QPSJs are changed and no extra element is added to the gate circuits. Comparing with the existing method which adds extra Josephson Junctions and QPSJs to the gate output, the number of elements in the proposed method is that of the basic two‐input gates. For the increased fan‐in/fan‐out OR gates, the critical margins of the external parameters are 10% and 15% of the input voltage, and the critical junction margins are 30% and 26% respectively, while for the increased fan‐in/fan‐out AND gates, they are 9% and 12% of the bias voltage and 26% and 23% for the critical junction margins, respectively.
Evolution of genes involved in the unusual genitals of the bear macaque, Macaca arctoides
Authors: Stevison Laurie S. , Bailey Nick P. , Szpiech Zachary A. , Novak Taylor E. , Melnick Don J. , Evans Ben J. , Wall Jeffrey D. 
Published: May 2022

AbstractGenital divergence is thought to contribute to reproductive barriers by establishing a “lock‐and‐key" mechanism for reproductive compatibility. One such example, Macaca arctoides, the bear macaque, has compensatory changes in both male and female genital morphology as compared to close relatives. M. arctoides also has a complex evolutionary history, having extensive introgression between the fascicularis and sinica macaque species groups. Here, phylogenetic relationships were analyzed via whole‐genome sequences from five species, including M. arctoides, and two species each from the putative parental species groups. This analysis revealed ~3x more genomic regions supported placement in the sinica species group as compared to the fascicularis species group. Additionally, introgression analysis of the M. arctoides genome revealed it is a mosaic of recent polymorphisms shared with both species groups. To examine the evolution of their unique genital morphology further, the prevalence of candidate genes involved in genital morphology was compared against genome‐wide outliers in various population genetic metrics of diversity, divergence, introgression, and selection, while accounting for background variation in recombination rate. This analysis identified 67 outlier genes, including several genes that influence baculum morphology in mice, which were of interest since the bear macaque has the longest primate baculum. The mean of four of the seven population genetic metrics was statistically different in the candidate genes as compared to the rest of the genome, suggesting that genes involved in genital morphology have increased divergence and decreased diversity beyond expectations. These results highlight specific genes that may have played a role in shaping the unique genital morphology in the bear macaque.