bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Role of Reverse Intersystem Crossing Using a TADF‐Type Acceptor Molecule on the Device Stability of Exciplex‐Based Organic Light‐Emitting Diodes
Authors: Nguyen Thanh Ba , Nakanotani Hajime , Hatakeyama Takuji , Adachi Chihaya 
Published: January 2020

AbstractExciplex system exhibiting thermally activated delayed fluorescence (TADF) holds a considerable potential to improve organic light‐emitting diode (OLED) performances. However, the operational lifetime of current exciplex‐based devices, unfortunately, falls far behind the requirement for commercialization. Herein, rationally choosing a TADF‐type electron acceptor molecule is reported as a new strategy to enhance OLEDs' operating lifetime. A comprehensive study of the exciplex system containing 9,9′,9′′‐triphenyl‐9H,9′H,9′′H‐3,3′:6′,3′′‐tercarbazole (Tris‐PCz) and triazine (TRZ) derivatives clarifies the relationship between unwanted carrier recombination on acceptor molecules, TADF property of acceptors, and the device degradation event. By employing a proposed “exciton recycling” strategy, a threefold increased operational lifetime can be achieved while still maintaining high‐performance OLED properties. In particular, a stable blue OLED that employs this strategy is successfully demonstrated. This research provides an important step for exciplex‐based devices toward the significant improvement of operational stability.
Barrierless Free Charge Generation in the High‐Performance PM6:Y6 Bulk Heterojunction Non‐Fullerene Solar Cell
Authors: Perdigón‐Toro Lorena , Zhang Huotian , Markina Anastasia , Yuan Jun , Hosseini Seyed Mehrdad , Wolff Christian M. , Zuo Guangzheng , Stolterfoht Martin , Zou Yingping , Gao Feng , Andrienko Denis , Shoaee Safa , Neher Dieter 
Published: January 2020

AbstractOrganic solar cells are currently experiencing a second golden age thanks to the development of novel non‐fullerene acceptors (NFAs). Surprisingly, some of these blends exhibit high efficiencies despite a low energy offset at the heterojunction. Herein, free charge generation in the high‐performance blend of the donor polymer PM6 with the NFA Y6 is thoroughly investigated as a function of internal field, temperature and excitation energy. Results show that photocurrent generation is essentially barrierless with near‐unity efficiency, regardless of excitation energy. Efficient charge separation is maintained over a wide temperature range, down to 100 K, despite the small driving force for charge generation. Studies on a blend with a low concentration of the NFA, measurements of the energetic disorder, and theoretical modeling suggest that CT state dissociation is assisted by the electrostatic interfacial field which for Y6 is large enough to compensate the Coulomb dissociation barrier.
Development of Copper Nanoclusters for In Vitro and In Vivo Theranostic Applications
Authors: Lai Wing‐Fu , Wong Wing‐Tak , Rogach Andrey L. 
Published: January 2020

AbstractTheranostics refers to the incorporation of therapeutic and diagnostic functions into one material system. An important class of nanomaterials exploited for theranostics is metal nanoclusters (NCs). In contrast to gold and silver NCs, copper is an essential trace element for humans. It can be more easily removed from the body. This, along with the low cost of copper that offers potential large‐scale nanotechnology applications, means that copper NCs have attracted great interest in recent years. The latest advances in the design, synthesis, surface engineering, and applications of copper NCs in disease diagnosis, monitoring, and treatment are reviewed. Strategies to control and enhance the emission of copper NCs are considered. With this synopsis of the up‐to‐date development of copper NCs as theranostic agents, it is hoped that insights and directions for translating current advances from the laboratory to the clinic can be further advanced and accelerated.
An Unconventional Transient Phase with Cycloidal Order of Polarization in Energy‐Storage Antiferroelectric PbZrO3
Authors: Wei Xian‐Kui , Jia Chun‐Lin , Du Hong‐Chu , Roleder Krystian , Mayer Joachim , Dunin‐Borkowski Rafal E. 
Published: January 2020

AbstractAntiferroelectric‐based dielectric capacitors are receiving tremendous attention for their outstanding energy‐storage performance and extraordinary flexibility in collecting pulsed powers. Nevertheless, the in situ atomic‐scale structural‐evolution pathway, inherently coupling to the energy storage process, has not been elucidated for the ultimate mechanistic understanding so far. Here, time‐ and atomic‐resolution structural phase evolution in antiferroelectric PbZrO3 during storage of energy from the electron‐beam illumination is reported. By employing state‐of‐the‐art negative‐spherical‐aberration imaging technique, the quantitative transmission electron microscopy study presented herein clarifies that the hierarchical evolution of polar oxygen octahedra associated with the unit‐cell volume change and polarization rotation accounts for the stepwise antiferroelectric‐to‐ferroelectric phase transition. In particular, an unconventional ferroelectric category—the ferrodistortive phase characteristic of a unique cycloidal polarization order—is established during the dynamic structure investigation. Through clarifying the atomic‐scale phase transformation pathway, findings of this work unveil a new territory to explore novel ferrodistortive phases in energy‐storage materials with the nonpolar‐to‐polar phase transitions.
Double‐Hydrophobic‐Coating through Quenching for Hydrogels with Strong Resistance to Both Drying and Swelling
Authors: Mredha Md. Tariful Islam , Le Hong Hieu , Cui Jiaxi , Jeon Insu 
Published: January 2020

AbstractIn recent years, various hydrogels with a wide range of functionalities have been developed. However, owing to the two major drawbacks of hydrogels—air‐drying and water‐swelling—hydrogels developed thus far have yet to achieve most of their potential applications. Herein, a bioinspired, facile, and versatile method for fabricating hydrogels with high stability in both air and water is reported. This method includes the creation of a bioinspired homogeneous fusion layer of a hydrophobic polymer and oil in the outermost surface layer of the hydrogel via a double‐hydrophobic‐coating produced through quenching. As a proof‐of‐concept, this method is applied to a polyacrylamide hydrogel without compromising its mechanical properties. The coated hydrogel exhibits strong resistance to both drying in air and swelling in multiple aqueous environments. Furthermore, the versatility of this method is demonstrated using different types of hydrogels and oils. Because this method is easy to apply and is not dependent on hydrogel surface chemistry, it can significantly broaden the scope of next‐generation hydrogels for real‐world applications in both wet and dry environments.
Severe hypertension—An infantile feature of Jansen metaphyseal chondrodysplasia?
Authors: Gabbett Michael T. , Jeavons Cassandra J. , Gray Peter H. 
Published: January 2020

AbstractJansen metaphyseal chondrodysplasia (JMC) is a rare autosomal dominant skeletal dysplasia caused by gain‐of‐function mutations in the parathyroid hormone receptor 1 gene, PTH1R. We report on a patient presenting in the neonatal period with clinical signs of JMC in addition to severe hypertension. A pathogenic mutation in PTH1R was demonstrated, but investigations for hypertension yielded normal results. Hypertension has not been previously associated with JMC. Given aberration of the parathyroid hormone (PTH)/parathyroid‐related protein pathway is the underlying pathogenic mechanism attributed to JMC, and also given evidence that hyperparathyroidism plays an important role in blood pressure homeostasis, we propose that hypertension is a hitherto unrecognized feature of JMC.
One‐Pot Synthesis of Dithioacetals and Diselenoacetals: An Indium‐Catalyzed Reductive Insertion into Disulfides and Diselenides with Orthoesters as a Methylene Source
Authors: Sakai Norio , Adachi Shunpei , Ogawa Sho , Takahashi Kenshiro , Ogiwara Yohei 
Published: January 2020

AbstractHerein it is described that an indium(III) compound effectively catalyzes a reductive insertion into either diaryl or dialkyl disulfides with orthoesters to produce a variety of dithioacetal derivatives. This method could also be adapted to the diselenoacetalization of diselenides. During a series of reductive insertions using this method, it is noteworthy that an orthoester functions as a masked methylene moiety.
Chiral Tetraarylmethane Derivative with Metal‐Coordinating Ability
Authors: Matsumoto Kouzou , Miki Kaori , Tanaka Rina , Matsuda Takahiro , Nehira Tatsuo , Hirao Yasukazu , Kurata Hiroyuki , Pescitelli Gennaro , Kubo Takashi 
Published: January 2020

AbstractPhenyl‐pyrazinyl‐2‐pyridyl‐2‐pyrimidinylmethane (1) has been synthesized in four steps from 2‐(chloromethyl)pyridine. This compound is chiral and expected to show metal‐coordinating ability because three of four aryl groups have the nitrogen atom at ortho‐position with respect to the central carbon atom. The X‐ray crystallographic analysis of rac‐1 unambiguously revealed the tetraarylmethane framework, but the nitrogen atoms could not be assigned. The optical resolution of 1 was achieved by chiral HPLC. Besides the CD spectra of the two fractions exhibited opposite signs as expected, the solvent effect on the CD spectra was also observed. According to the calculated CD curve based on time‐dependent density functional theory (TDDFT) method, the first eluted fraction is the R isomer in terms of absolute configuration. It should be noted that the CD spectrum of 1 was also changed by the addition of the transition metal ions because of the formation of the metal complexes of 1. The Job plot and the electrospray ionization (ESI) mass spectrum of the solution of rac‐1 in the presence of Cu2+ ion revealed that the stoichiometry of 1 and Cu2+ was 2 : 1.
High density of white‐faced capuchins (Cebus capucinus) and habitat quality in the Taboga Forest of Costa Rica
Authors: Tinsley Johnson Elizabeth , Benítez Marcela E. , Fuentes Alexander , McLean Celia R. , Norford Ariek B. , Ordoñez Juan Carlos , Beehner Jacinta C. , Bergman Thore J. 
Published: January 2020

AbstractAcross the globe, primates are threatened by human activities. This is especially true for species found in tropical dry forests, which remain largely unprotected. Our ability to predict primate abundance in the face of human activity depends on different species' sensitivities as well as on the characteristics of the forest itself. We studied plant and primate distribution and abundance in the Taboga Forest, a 516‐ha tropical dry forest surrounded by agricultural fields in northwestern Costa Rica. We found that the density of white‐faced capuchins (Cebus capucinus) at Taboga is 2–6 times higher than reported for other long‐term white‐faced capuchin sites. Using plant transects, we also found relatively high species richness, diversity, and equitability compared with other tropical dry forests. Edge transects (i.e., within 100 m from the forest boundary) differed from interior transects in two ways: (a) tree species associated with dry forest succession were well‐established in the edge and (b) canopy cover in the edge was maintained year‐round, while the interior forest was deciduous. Sighting rates for capuchins were higher near water sources but did not vary between the edge and interior forest. For comparison, we also found the same to be true for the only other primate in the Taboga Forest, mantled howler monkeys (Alouatta palliata). Year‐round access to water might explain why some primate species can flourish even alongside anthropogenic disturbance. Forest fragments like Taboga may support high densities of some species because they provide a mosaic of habitats and key resources that buffer adverse ecological conditions.
Sex differences in leadership during group movement in mantled howler monkeys (Alouatta palliata)
Authors: Ceccarelli Enrico , Rangel Negrín Ariadna , Coyohua‐Fuentes Alejandro , Canales‐Espinosa Domingo , Dias Pedro Américo D. 
Published: January 2020

AbstractBenefits of group life depend in large part on whether animals remain cohesive, which often requires collective decisions about where and when to move. During a group movement, the leader may be considered as the individual occupying the vanguard position of the group progression, when its movement evokes following by other group members. In nondespotic societies, individuals with greater incentives to move frequently are leaders. During 15 months of observations (1,712 contact hours), we investigated two mantled howler monkey (Alouatta palliata) groups at La Flor de Catemaco (Los Tuxtlas, Mexico) to examine whether sex and female reproductive state influenced leadership likelihood in two contexts: movements toward feeding trees; movements associated with loud calls, a group‐defense behavior used by males of this genus. Females led and occupied forward positions during group movements toward feeding trees more often than adult males. Adult females led these movements more frequently when they were gestating than when they were lactating or cycling. There were no differences between sexes in the leadership of group movements associated with loud calls. Leadership by gestating females is perhaps the result of their higher nutritional/energetic needs when compared with cycling females, and of their greater mobility when compared with lactating females carrying dependent offspring. Female leadership during movements toward feeding trees may be a mechanism to optimize access to food resources in mantled howler monkeys.
Ethnic and Socioeconomic Associations with Multiple Sclerosis Risk
Authors: Dobson Ruth , Jitlal Mark , Marshall Charles R. , Noyce Alastair J. , Robson John , Cuzick Jack , Giovannoni Gavin 
Published: January 2020

ObjectiveEpidemiological research in multiple sclerosis (MS) has mainly been performed in socioeconomically and ethnically limited populations; influences on MS risk have not been studied in prospectively collected non‐White populations. We set out to study the influence of previously described MS risk factors in an ethnically diverse population.MethodsA nested case–control study was created using primary care records of >1 million individuals, >50% of whom identify as Black, Asian, and Minority Ethnic (BAME). MS cases were compared to an age‐ and sex‐matched control cohort (1:4), and to a large unmatched cohort. Odds ratios (ORs) of disease were determined according to exposure of interest, and a multivariate model including all exposures was created. Potential pairwise interactions were considered where both indicated a significant effect.ResultsA total of 1,344 confirmed MS cases were included. MS OR in blacks aged <40 years was 1.15 (95% confidence interval [CI] = 0.81–1.62) compared to whites. MS odds in BAME current (OR = 1.71, 95% CI = 1.24–2.31) and ex‐smokers (OR = 2.83, 95% CI = 2.14–3.72) were considerably higher than in Whites (OR = 1.09, 95% CI = 0.88–1.34; OR = 1.44, 95% CI = 1.19–1.74, respectively). Prior infectious mononucleosis was associated with increased odds of MS in Blacks (OR = 4.94, 95% CI = 1.23–17.89). An increase in MS odds was seen in the least‐deprived quintile (OR = 2.46, 95% CI = 1.40–4.24), but no effect across deprived quintiles was seen.InterpretationThis cohort provides novel data on factors potentially driving MS susceptibility in a diverse population, one‐third of whom live in poverty. Environmental exposures have differential risk across ethnicity. ANN NEUROL 2020;87:599–608
Gemischte polyanionische Verbindungen als positive Elektroden für die kostengünstige elektrochemische Energiespeicherung
Authors: Lan Yuanqi , Yao Wenjiao , He Xiaolong , Song Tianyi , Tang Yongbing 
Published: January 2020

AbstractKostengünstige elektrochemische Energiespeichersysteme (EESS) sind dringend erforderlich, um die Anwendung erneuerbarer Energiequellen wie Wind, Sonne usw. voranzutreiben. Die Geschichte der Lithium‐Ionen‐Batterien hat gezeigt, dass die Kosten von EESSs hauptsächlich von Ladungsträger‐Ionen und Redoxzentren in den Elektroden abhängen und ihre Leistung durch positive Elektroden begrenzt wird. In diesem Szenario bewertet dieser Kurzaufsatz mehrere EESS‐Kandidaten und fasst die bekannten gemischten polyanionischen Verbindungen (MPVs) zusammen – eine Familie mit robusten Strukturen und großen Kanälen für die Ionenspeicherung und ‐migration. Nach einer umfassenden Analyse wird darauf hingewiesen, dass eine tiefere Erforschung der MPVs zu einer Reihe neuartiger kristallographisch interessanter Verbindungen und ausgezeichneten Kathodenmaterialien für kostengünstige Energiespeicheranwendungen führen kann.
Iridium‐Catalyzed Enantioselective Hydrogenation of Oxocarbenium Ions: A Case of Ionic Hydrogenation
Authors: Yang Tilong , Sun Yongjie , Wang Heng , Lin Zhenyang , Wen Jialin , Zhang Xumu 
Published: January 2020

AbstractIonic hydrogenation has not been extensively explored, but is advantageous for challenging substrates such as unsaturated intermediates. Reported here is an iridium‐catalyzed hydrogenation of oxocarbenium ions to afford chiral isochromans with high enantioselectivities. A variety of functionalities are compatible with this catalytic system. In the presence of a catalytic amount of the Brønsted acid HCl, an α‐chloroether is generated in situ and subsequentially reduced. Kinetic studies suggest first‐order kinetics in the substrate and half‐order kinetics in the catalyst. A positive nonlinear effect, together with the half kinetic order, revealed a dimerization of the catalyst. Possible reaction pathways based on the monomeric iridium catalyst were proposed and DFT computational studies revealed an ionic hydrogenation pathway. Chloride abstraction and the cleavage of dihydrogen occur in the same step.
A theoretical study on the pure and doped ZnO nanoclusters as effective nanobiosensors for 5‐fluorouracil anticancer drug adsorption
Authors: Zhihong Y. , Ye Y. , Pejhan A. , Nasr A.H. , Nourbakhsh N. , Tayebee R. 
Published: January 2020

AbstractThe electronic sensitivity and effectiveness of the pristine, Fe,‐ Mg‐, Al‐ and Ga‐doped ZnO nanoclusters interacted with 5‐fluorouracil (5‐FU) anticancer drug are theoretically investigated in the gas phase using the B3LYP/wB97XD density functional theory calculations with LANL2DZ basis set. It is concluded that 5‐FU adsorption on the doped nanoclusters has relatively higher adsorption energy as compared with the pristine zinc oxide. A number of thermodynamic parameters, such as band gap energy (Eg), adsorption energy (Ead), molecular electrostatic potential, global hardness (η) and density of electronic states, are attained and compared. Also, calculated geometrical parameters and electronic properties for the studied systems indicate that Mg‐ and Ga‐doped Zn12O12 present higher sensitivity to 5‐FU compared with the pristine nanocluster. Theoretical results reveal that adsorption of 5‐FU on the doped nanoclusters is influenced by the electronic conductance of the nanocluster. Therefore, Mg‐ and Ga‐doped ZnO can be considered as promising nanobiosensors for detection of 5‐FU in medicine.
Effect of Feeding a Low Level of Encapsulated Fish Oil to Dairy Goats on Milk Yield, Composition, and Fatty Acid Profile
Authors: Núñez de González Maryuri , Attaie Rahmat , Woldesenbet Sela , Mora‐Gutierrez Adela , Kirven Jeneanne , Jung Yoonsung , Myers Deland 
Published: January 2020

AbstractContradictory results have been found in the response of dairy goats to the supplementation of fish oil in their diet to improve the n‐3 polyunsaturated fatty acids (PUFA) in milk. The responses to the inclusion of fish oil in the diet of ruminants either induced milk fat depression, increased milk fat content, and/or negatively impacted milk yield. The objective of this study was to determine whether including a low dose of encapsulated fish oil in the diet of goats can modify yield, milk composition, and the fatty acid (FA) profile of milk. Ten Alpine goats were divided into two homogeneous subgroups and assigned to either the control or experimental diet. The control animals received the basal diet without supplementation of fish oil, whereas the experimental group was given the same basal diet supplemented with encapsulated fish oil (1.14 g /kg of concentrate) for 56 days. Milk samples were analyzed for chemical composition and FA profile. The inclusion of encapsulated fish oil in the goat diet did not affect the yield and composition of goat milk. The effect of diet was not significant on the FA profile of goat milk, except that 20:0 was lower (P < 0.05) in the milk of goats that received fish oil. The low dose of encapsulated fish oil supplement used in this study did not impact (P > 0.05) the PUFA content of goat milk or milk composition and yield; however, the atherogenicity index (AI), which is beneficial to heart health, was lower (P < 0.05) in the milk of goats that received fish oil as a supplement in their diet compared to the control.
Fatty Acid Estolides: A Review
Authors: Chen Yunzhi , Biresaw Girma , Cermak Steven C. , Isbell Terry A. , Ngo Helen L. , Chen Li , Durham Amber L. 
Published: January 2020

AbstractEstolides are bio‐based oils synthesized from fatty acids or from the reaction of fatty acids with vegetable oils. Estolides have many advantages as lubricant base oils, including excellent biodegradability and cold flow properties. Promising applications for estolides include bio‐lubricant base oils and in cosmetics. In this review, the synthesis of estolides from fatty acids using four different types of catalysts, namely, mineral acids, solid acids, lipases, and ionic liquids, is summarized. The summary includes the yield of estolide obtained from varying synthetic conditions (time, temperature, catalyst). Also reviewed are studies comparing the physical properties of estolides synthesized from refined fatty acids against those synthesized from fatty acid mixtures obtained from vegetable oils such as coconut, castor, Physaria, etc. By varying the structure of the fatty acids, estolides with a wide range of pour point, cloud point, and viscosity are synthesized to meet a wide range of application requirements. Currently, estolide products are being commercialized for personal care and lubricant base oils for automotive, industrial, and marine applications. The application areas and the demand for estolides is expected to grow as the drive for switching from petroleum to bio‐based products keeps growing.
Microalgae as a promising and sustainable nutrition source for managed honey bees
Authors: Ricigliano Vincent A. 
Published: January 2020

AbstractManaged honey bee colony losses are attributed to a number of interacting stressors, but many lines of evidence point to malnutrition as a primary factor. Commercial beekeepers have become increasingly reliant on artificial pollen substitute diets to nourish colonies during periods of forage scarcity and to bolster colony size before pollination services. These artificial diets may be deficient in essential macronutrients (proteins, lipids, prebiotic fibers), micronutrients (vitamins, minerals), and antioxidants. Therefore, improving the efficacy of pollen substitutes can be considered vital to modern beekeeping. Microalgae are prolific sources of plant‐based nutrition with many species exhibiting biochemical profiles that are comparable to natural pollen. This emerging feed source has been employed in a variety of organisms, including limited applications in honey bees. Herein, I introduce the nutritional value and functional properties of microalgae, extrapolating to central aspects of honey bee physiology and health. To conclude, I discuss the potential of microalgae‐based feeds to sustainably provision managed colonies on an agricultural scale.