bluuebunny/crossref_metadata_2025_split huggingface dataset:
¿Aulas inclusivas o excluyentes?: barreras para el aprendizaje y la participación en contextos universitarios
Authors: Sandoval Mena Marta , Simón Rueda Cecilia , Márquez Vázquez Carmen 
Published: January 2019

El objetivo de este estudio es delimitar las barreras que se encuentran los estudiantes universitarios en las aulas referidas principalmente a: espacios y recursos, contenidos, metodología y participación. Para ello, hemos partido de la propuesta del Diseño Universal de Instrucción (DUI) desarrollada en la Universidad de Guelph (Canadá) adaptada por Dalmau et al., (2015). Se ha contado con la participación de 652 estudiantes pertenecientes a tres Facultades de Formación de Profesorado y Educación, dos españolas (Universidad Complutense de Madrid y Universidad Autónoma de Madrid) y una de EEUU (Universidad del Norte de Arizona). Los datos se han recogido a través de un cuestionario diseñado ad hoc por el equipo investigador en torno a los ámbitos señalados. os resultados muestran las principales barreras que los estudiantes experimentan en las aulas. La discusión se centra en la necesidad de introducir en el desarrollo profesional de los docentes universitarios formación en torno a estrategias que permitan diseñar los contenidos que imparten conforme a los principios del diseño universal para la enseñanza.
GRID-independent molecular descriptor analysis and molecular docking studies to mimic the binding hypothesis of γ-aminobutyric acid transporter 1 (GAT1) inhibitors
Authors: Zafar Sadia , Jabeen Ishrat 
Published: January 2019

BackgroundThe γ-aminobutyric acid (GABA) transporter GAT1 is involved in GABA transport across the biological membrane in and out of the synaptic cleft. The efficiency of this Na+coupled GABA transport is regulated by an electrochemical gradient, which is directed inward under normal conditions. However, in certain pathophysiological situations, including strong depolarization or an imbalance in ion homeostasis, the GABA influx into the cytoplasm is increased by re-uptake transport mechanism. This mechanism may lead to extra removal of extracellular GABA which results in numerous neurological disorders such as epilepsy. Thus, small molecule inhibitors of GABA re-uptake may enhance GABA activity at the synaptic clefts.MethodsIn the present study, various GRID-independent molecular descriptor (GRIND) models have been developed to shed light on the 3D structural features of human GAT1 (hGAT1) inhibitors using nipecotic acid and N-diarylalkenyl piperidine analogs. Further, a binding hypothesis has been developed for the selected GAT1 antagonists by molecular docking inside the binding cavity of hGAT1 homology model.ResultsOur results indicate that two hydrogen bond acceptors, one hydrogen bond donor and one hydrophobic region at certain distances from each other play an important role in achieving high inhibitory potency against hGAT1. Our docking results elucidate the importance of the COOH group in hGAT1 antagonists by considering substitution of the COOH group with an isoxazol ring in compound37, which subsequently leads to a three order of magnitude decrease in biological activity of37(IC50= 38 µM) as compared to compound1(IC50= 0.040 µM).DiscussionOur docking results are strengthened by the structure activity relationship of the data series as well as by GRIND models, thus providing a significant structural basis for understanding the binding of antagonists, which may be useful for guiding the design of hGAT1 inhibitors.
Recent updates on metabolite composition and medicinal benefits of mangosteen plant
Authors: Aizat Wan Mohd , Jamil Ili Nadhirah , Ahmad-Hashim Faridda Hannim , Noor Normah Mohd 
Published: January 2019

BackgroundMangosteen (Garcinia mangostanaL.) fruit has a unique sweet-sour taste and rich in beneficial compounds such as xanthones. Mangosteen has been originally used in various folk medicines to treat diarrhea, wound, and fever. More recently, it has been used as a major component in health supplement products for weight loss and promoting general health. This is perhaps due to its known medicinal benefits including as anti-oxidant and anti-inflammation. Interestingly, the publications related to mangosteen has surged in recent years suggesting its popularity and usefulness in research laboratories. However, there is still no updated reviews (up to 2018) in this booming research area, particularly on its metabolite composition and medicinal benefits.MethodIn this review, we have covered recent articles within the year of 2016 to 2018, which focuses on several aspects including the latest findings on compound composition from mangosteen fruit as well as its medicinal usages.ResultMangosteen has been vastly used in medicinal areas including as anti-cancer, anti-microbial, and anti-diabetes treatments. Furthermore, we have also described the benefits of mangosteen extract in protecting various human organs such as liver, skin, joint, eye, neuron, bowel, and cardiovascular tissues against disorders and diseases.ConclusionAll in all, this review describes the numerous manipulations of mangosteen extracted compounds in medicinal areas and highlights the current trend of its research. This will be important for future directed research and may allow researchers to tackle the next big challenge in mangosteen study; drug development and human applications.
Self‐aggression, reactive aggression, and spontaneous aggression: Mediating effects of self‐esteem and psychopathology
Authors: Otte Stefanie , Streb Judith , Rasche Katharina , Franke Irina , Segmiller Felix , Nigel Stefanie , Vasic Nenad , Dudeck Manuela 
Published: January 2019

AbstractThis study examined whether the associations between self‐aggression and different forms of externalized aggression (reactive and spontaneous aggression) are influenced by self‐esteem and current psychopathological symptoms. For this purpose, we asked 681 participants from the general population (GP) and 282 general psychiatric patients (PPs) to answer the German versions of the Short Questionnaire for Assessing Factors of Aggression (K‐FAF), the Multidimensional Self‐Esteem Scale (MSWS), and the Brief Symptom Inventory 25 Forensic (BSI‐25‐F). Statistically, we performed descriptive and mediation analyses. Our findings indicated that in both samples the association between self‐aggression and reactive aggression was mediated by self‐esteem but not by current psychological problems. The association between self‐aggression and spontaneous aggression was mediated by self‐esteem in the GP sample and by psychopathological symptoms in the PP sample. We conclude that when examining the association between self‐aggression and externalized aggression it is important to consider the various subtypes of externalized aggression and differences between populations.
Achieving High Volumetric Lithium Storage Capacity in Compact Carbon Materials with Controllable Nitrogen Doping
Authors: Jin Jinyin , Wang Zhiwei , Wang Rui , Wang Jialiang , Huang Zhendong , Ma Yanwen , Li Hai , Wei Su‐Huai , Huang Xiao , Yan Jiaxu , Li Shaozhou , Huang Wei 
Published: January 2019

AbstractAlthough nanostructured/nanoporous carbon and silicon‐based materials are a potential replacement for graphite as cost‐effective anodes for lithium ion batteries (LIBs), their extremely low packing density leads to considerably reduced volumetric capacities. Herein, a highly compact carbon anode material constructed from sub‐2 nm nanosized graphitic domains is reported that exhibits excellent capacity density. By introducing a coordination agent in the synthesis precursors, an unusually high concentration of N‐doping (≈26.56 wt%) is achieved, which is mainly confined at the graphitic edges with the pyrrolic‐N and pyridinic‐N configurations. As further supported experimentally and theoretically, the edge‐N dopants, particularly the pyrrolic‐N, favor both ion diffusion kinetics and lithium storage via adsorption. Based on the lithiation‐state electrode volume, the compact anode shows a capacity density of 951 mAh cmtotal−3that is comparable with Si anodes and surpasses all reported carbon‐based anodes, revealing its potential in promoting the performance of future LIBs.
Strategic Design of Clay‐Based Multifunctional Materials: From Natural Minerals to Nanostructured Membranes
Authors: Zhou Yi , LaChance Anna Marie , Smith Andrew T. , Cheng Hongfei , Liu Qinfu , Sun Luyi 
Published: January 2019

AbstractNature not only carefully prepares ingenious raw materials but also continuously inspires and guides human beings to create a wide variety of intelligent materials. As the most abundant mineral resource on earth, clay minerals are no longer synonymous with ceramics and cements. Many natural clay minerals can be exfoliated into single‐ or few‐layered nanosheets with exquisite physicochemical properties, which can be reassembled into functional membranes with a macroscopic controllable size and microscopic ordered structure. They are thus used in many fields including chemistry, biology, energy, and environmental science. Strategic design represents one of the key processes to enhance the value of clay minerals and broaden their applications. In this work, the three frequently used approaches of exfoliation are highlighted and the six routes of assembly including casting, dip‐coating, spray coating, vacuum filtration, electrophoretic deposition, and 3D printing are compared. The corresponding principles and advantages are summarized. Representative applications of clay‐based multifunctional membranes in protection, separation, responsiveness, flexible electronics, and energy conversion are presented. The challenges and future perspectives of the clay‐based multifunctional membranes are discussed.
AsP/InSe Van der Waals Tunneling Heterojunctions with Ultrahigh Reverse Rectification Ratio and High Photosensitivity
Authors: Wu Feng , Xia Hui , Sun Haiding , Zhang Junwei , Gong Fan , Wang Zhen , Chen Long , Wang Peng , Long Mingsheng , Wu Xing , Wang Jianlu , Ren Wencai , Chen Xiaoshuang , Lu Wei , Hu Weida 
Published: January 2019

AbstractVan der Waals heterojunctions made of 2D materials offer competitive opportunities in designing and achieving multifunctional and high‐performance electronic and optoelectronic devices. However, due to the significant reverse tunneling current in such thin p–n junctions, a low rectification ratio along with a large reverse current is often inevitable for the heterojunctions. Here, a vertically stacked van der Waals heterojunction (vdWH) tunneling device is reported consisting of black arsenic phosphorus (AsP) and indium selenide (InSe), which shows a record high reverse rectification ratio exceeding 107 along with an unusual ultralow forward current below picoampere and a high current on/off ratio over 108 simultaneously at room temperature under the proper band alignment design of both the Schottky junction and the heterojunction. Therefore, the vdWH tunneling device can function as an ultrasensitive photodetector with an ultrahigh light on/off ratio of 1 × 107, a comparable responsivity of around 1 A W−1, and a high detectivity over 1 × 1012 Jones in the visible wavelength range. Furthermore, the device exhibits a clear photovoltaic effect and shows a spectral detection capability up to 1550 nm. The work sheds light on developing future electronic and optoelectronic multifunctional devices based on the van der Waals integration of 2D materials with designed band alignment.
A Safe‐by‐Design Strategy towards Safer Nanomaterials in Nanomedicines
Authors: Yan Liang , Zhao Feng , Wang Jing , Zu Yan , Gu Zhanjun , Zhao Yuliang 
Published: January 2019

AbstractThe marriage of nanotechnology and medicine offers new opportunities to fight against human diseases. Benefiting from their unique optical, thermal, magnetic, or redox properties, a wide range of nanomaterials have shown potential in applications such as diagnosis, drug delivery, or tissue repair and regeneration. Despite the considerable success achieved over the past decades, the newly emerging nanomedicines still suffer from an incomplete understanding of their safety risks, and of the relationships between their physicochemical characteristics and safety profiles. Herein, the most important categories of nanomaterials with clinical potential and their toxicological mechanisms are summarized, and then, based on this available information, an overview of the principles in developing safe‐by‐design nanomaterials for medical applications and of the recent progress in this field is provided. These principles may serve as a starting point to guide the development of more effective safe‐by‐design strategies and to help identify the major knowledge and skill gaps.
Metal–Organic Frameworks Based Nano/Micro/Millimeter‐Sized Self‐Propelled Autonomous Machines
Authors: Khezri Bahareh , Pumera Martin 
Published: January 2019

AbstractSynthetic nano/micro/millimeter‐sized machines that harvest energy from the surrounding environment and then convert it to motion have had a significant impact on many research areas such as biology (sensing, imaging, and therapy) and environmental applications. Autonomous motion is a key element of these devices. A high surface area is preferable as it leads to increased propellant or cargo‐loading capability. Integrating highly ordered and porous metal–organic frameworks (MOFs) with self‐propelled machines is demonstrated to have a significant impact on the field of nano/micro/millimeter‐sized devices for a wide range of applications. MOFs have shown great potential in many research fields due to their tailorable pore size. These fields include energy storage and conversion; catalysis, biomedical application (e.g., drug delivery, imaging, and cancer therapy), and environmental remediation. The marriage of motors and MOFs may provide opportunities for many new applications for synthetic nano/micro/millimeter‐sized machines. Herein, MOF‐based micro‐ and nanomachines are reviewed with a focus on the specific properties of MOFs.
Printed Diodes: Materials Processing, Fabrication, and Applications
Authors: Chu Yihang , Qian Chunqi , Chahal Premjeet , Cao Changyong 
Published: January 2019

AbstractPrinting techniques for the fabrication of diodes have received increasing attention over the last decade due to their great potential as alternatives for high‐throughput and cost‐effective manufacturing approaches compatible with both flexible and rigid substrates. Here, the progress achieved and the challenges faced in the fabrication of printed diodes are discussed and highlighted, with a focus on the materials of significance (silicon, metal oxides, nanomaterials, and organics), the techniques utilized for ink deposition (gravure printing, screen printing, inkjet printing, aerosol jet printing, etc.), and the process through which the printed layers of diode are sintered after printing. Special attention is also given to the device applications within which the printed diodes have been successfully incorporated, particularly in the fields of rectification, light emission, energy harvesting, and displays. Considering the unmatched production scalability of printed diodes and their intrinsic suitability for flexible and wearable applications, significant improvement in performance and intensive research in development and applications of the printed diodes will continuously progress in the future.
In Situ Atomic‐Scale Observation of Kinetic Pathways of Sublimation in Silver Nanoparticles
Authors: Li Junjie , Wang Zhongchang , Li Yunping , Deepak Francis Leonard 
Published: January 2019

AbstractUncovering kinetics of sublimation atomically is critical to understanding both natural phenomena and advanced manufacturing technologies. Here, direct in situ atomic‐scale observations to understand the effects of size, surface, and defects in the sublimation process of supported silver nanoparticles upon heating within an aberration‐corrected transmission electron microscopy are conducted. Atomic‐scale evidence to sublimation and atomic rearrangement in small Ag nanoparticles during heating is provided, and it is demonstrated that the sublimation‐induced stable surfaces in the particles with a size smaller than ≈30 nm are {111} and {100} planes. The role of surface energy and defects in the uniform and nonuniform sublimation pathways at the atomic scale is also revealed, and it is found that the nanoparticles with low surface energy tend to undergo a uniform sublimation pathway, while those with high surface energy or five‐fold twin grain boundary proceed via a nonuniform sublimation pathway. Further dynamic analysis unravels a critical size of ≈8 nm for the transformation from linear to nonlinear sublimation rates in the two pathways. These findings demonstrate that the size, shape, and defects are of paramount importance for the sublimation dynamics in the first‐order phase transformation, helping to advance the general understanding of many technological applications.
The Search for Variation of Fundamental Constants with Clocks
Authors: Safronova Marianna S. 
Published: January 2019

AbstractIn many theories beyond the Standard Model the quantities that we call “fundamental constants” become space‐time dependent, leading to corresponding variation of atomic and molecular spectra and clock frequencies. The extraordinary improvement of the atomic clock precision in the past fifteen years enabled testing the constancy of the fundamental constant at a very high level of precision. Herein, searches for the variation of fundamental constants with clocks are discussed, focusing on recent key results and future proposals, including highly charged ion, molecular, and nuclear clocks. The relevance of the recent searches for oscillatory and transient variation of fundamental constants to the major unexplained phenomena of our Universe, the nature of dark matter, is discussed.
Dihalobenzene Shape Sorting by Nonporous Adaptive Crystals of Perbromoethylated Pillararenes
Authors: Li Errui , Zhou Yujuan , Zhao Run , Jie Kecheng , Huang Feihe 
Published: January 2019

AbstractThe separation of dihalobenzene isomers, such as dichlorobenzene isomers and difluorobenzene isomers, has a high practical value in both synthetic chemistry and industrial production. Herein we provide a simple to operate and energy‐efficient adsorptive separation method using nonporous adaptive crystals of perbromoethylated pillar[5]arene (BrP5) and pillar[6]arene (BrP6). BrP6 crystals show a preference towards the ortho isomer of dichlorobenzene in isomer mixtures, but cannot discriminate difluorobenzene isomers. Single‐crystal structures reveal that this selectivity is derived from the stability of the new host–guest crystal structure of BrP6 after uptake of the preferred guest and the binding strength of the host–guest interactions. Furthermore, because of the reversible transition between guest‐free and guest‐loaded structures, BrP6 crystals are recyclable.
Selective Arene Hydrogenation for Direct Access to Saturated Carbo‐ and Heterocycles
Authors: Wiesenfeldt Mario P. , Nairoukh Zackaria , Dalton Toryn , Glorius Frank 
Published: January 2019

AbstractArene hydrogenation provides direct access to saturated carbo‐ and heterocycles and thus its strategic application may be used to shorten synthetic routes. This powerful transformation is widely applied in industry and is expected to facilitate major breakthroughs in the applied sciences. The ability to overcome aromaticity while controlling diastereo‐, enantio‐, and chemoselectivity is central to the use of hydrogenation in the preparation of complex molecules. In general, the hydrogenation of multisubstituted arenes yields predominantly the cis isomer. Enantiocontrol is imparted by chiral auxiliaries, Brønsted acids, or transition‐metal catalysts. Recent studies have demonstrated that highly chemoselective transformations are possible. Such methods and the underlying strategies are reviewed herein, with an emphasis on synthetically useful examples that employ readily available catalysts.
Small‐Molecule Permeation across Membrane Channels: Chemical Modification to Quantify Transport across OmpF
Authors: Wang Jiajun , Bafna Jayesh Arun , Bhamidimarri Satya Prathyusha , Winterhalter Mathias 
Published: January 2019

AbstractBiological channels facilitate the exchange of molecules across membranes, but general tools to quantify transport are missing. Electrophysiology is the method of choice to study the functional properties of channels. However, analyzing the current fluctuation of channels typically does not identify successful transport, that is, distinguishing translocation from binding. To distinguish both processes, we added an additional barrier at the channel exit acting as a molecular counter. To identify permeation, we compare the molecule residence time in the native channel with one that is chemically modified at the exit. We use the well‐studied outer membrane channel from E. coli, OmpF. Position 181, which is below the constriction region, was subsequently mutated into cysteine (E181C) in an otherwise cysteine‐free system, then functionalized by covalent binding with one of the two blockers MTSES or GLT. We measured the passage of model peptides, mono‐, tri‐, hepta‐arginine and of norfloxacin, as an example for antibiotic permeation.
Multidimensional Proton Nuclear Magnetic Resonance Relaxation Morphological and Chemical Spectrum Graphics for Monitoring and Characterization of Polyunsaturated Fatty‐Acid Oxidation
Authors: Resende Maysa Teixeira , Campisi‐Pinto Salvatore , Linder Charles , Wiesman Zeev 
Published: January 2019

AbstractPolyunsaturated fatty acids (PUFA) are components of many commercial products such as edible oils, foods, cosmetics, medication, and in biological systems such as phospholipids of cellular membranes. Although PUFA aggregates are important functional components, they are also related to system degradation, because PUFA are susceptible to oxidation via their multiple double bonds and allylic carbons. Current technologies are not effective in characterizing the morphological and chemical structural domains of saturated, monounsaturated fatty acids (MUFA) and PUFA materials, or how the morphological structures of fatty acids, at the mesomolecular, nanomolecular, and molecular levels, affect their oxidation mechanisms. In this article, the 1H low‐field (LF) NMR energy relaxation time technology is proposed as a tool to analyze PUFA oils undergoing thermal oxidation. This technology generates two‐dimensional (2D) chemical and morphological spectra using a primal‐dual interior method for the convex objectives (PDCO) optimization solver for computational processing of the energy relaxation time signals T1 (spin–lattice) and T2 (spin–spin). The 2D graphical maps of T1 vs. T2 generated for butter, rapeseed oil, soybean oil, and linseed oil show that the different degrees of unsaturation of fatty‐acid oils affect their chemical and morphological domains, which influences their oxidative propensity. The technology of the 1H LF‐NMR energy relaxation time proved to be an effective tool to characterize and monitor PUFA oxidation.