bluuebunny/crossref_metadata_2025 huggingface dataset:
Absoluter Wert in Kants Grundlegung zur Metaphysik
der Sitte
Authors: Porcheddu Rocco
Published: June 2020

In the second section of the Groundwork for the Metaphysics of Morals, Kant introduces the concept of an end in itself and defines it as something whose existence has an absolute value. He continues with the assertion that the ground of a possible categorical imperative lies solely in this end in itself. Now Kant, in his remarks on the realm of ends, also operates with the notions of an end in itself and absolute value — seemingly in a different way, however. Thus, in the remarks on the realm of ends, the rational being becomes an end in itself through its real moral willing and acting, both of which presuppose the validity of the categorical imperative. Basically, the difference in the ways of using the concepts of absolute value and an end in itself consists in the fact that in the first case both serve as precondition for the categorical imperative’s validity, whereas in the passages concerning the realm of ends both are a consequence of its validity. At first glance we therefore must register an inconsistent use of both terms. In what follows, I aim to show that the assumption of such a putative inconsistency expresses a misleading understanding of the internal structure of the end in itself rather than a real problem in Kant’s way of arguing. The present study tries to solve this supposed problem of inconsistency by sketching a more appropriate understanding of the internal structure of the end in itself.
On the employment status of Andrei Bolotov in Königsberg
Authors: Miliutin Mikhail P.
Published: June 2020

This article deals with Andrey Bolotov’s official employment status during his time in Königsberg (April 1758 — March 1762). The work considers the historiographic tradition originating from Bolotov’s memoirs, the Königsberg pages of which were written more than 30 years after the events described. Bolotov’s memoirs are compared with his correspondence of the time and the archival materials of the Russian administration of East Prussia during the Seven Years’ War. It is concluded that Bolotov’s status was ambivalent. Although serving as a translator at the governor’s office, he never had an official rank. The study makes it possi­ble to clarify the role that Bolotov had in the local Russian administration as well as to under­stand his attitude to service in that difficult period for the Russian nobility.
Intro to Coding Using Python at the Worcester Public Library
Authors: Friedenthal Melody
Published: June 2020

The Worcester Public Library (WPL) offers several Digital Learning courses to our adult patrons, and among them is “Intro to Coding Using Python”. This 6-session class teaches basic programming concepts and the vocabulary of software development. It prepares students to take more intensive, college-level classes.

The Bureau of Labor Statistics predicts a bright future for software developers, web developers, and software engineers. WPL is committed to helping patrons increase their “hireability” and we believe our Python class will help patrons break into these lucrative and gratifying professions… or just have fun.
COMPRESSION STRENGTH OF 3D PRINTED OBJECTS TAKING INTO ACCOUNT THE ORIENTATION OF LAYERS
Authors: VALIENTE LOPEZ MERCEDES , MOYANO SANZ SANDRA , SANZ CONTRERAS MARIA CARMEN , ROMO MELGAR ALBERTO
Published: June 2020

Este estudio trata de realizar los ensayos a compresión pertinentes
a una pieza fabricada mediante la técnica de impresión 3D. En dichos ensayos, tendremos en cuenta, la dimensión de las piezas, el tipo de filamento, los parámetros de laminado y, sobre todo, la dirección del plano de impresión. Con esta investigación queremos divulgar los nuevos procesos asociados a la impresión 3D y cómo podemos mejorar la tecnología existente. El objetivo
principal es comparar la diferencia entre la resistencia a compresión de una pieza impresa en 3D, cuando la fuerza actúa en dirección paralela a las capas de impresión, y cuando lo hace en dirección perpendicular. De este modo, podemos determinar la posición de la pieza en la impresora y evitar los posibles problemas de deformación que existen con esta nueva técnica de producción aditiva. Finalmente, haremos algunas conclusiones derivadas del estudio, y se harán propuestas para nuevas vías de investigación.
Con este artículo tenemos la intención de demostrar la importancia del proceso de impresión de una pieza, la colocación en el plano de trabajo y los materiales utilizados.
Heterogenitet i multisygdomsdefinitionen
Authors: Møller Anne , Willadsen Tora Grauers , Jønsson Alexandra Ryborg , Reventlow Susanne , Brodersen John
Published: June 2020

Antallet af mennesker, der lever med multisygdom, er gennem de seneste år steget markant, både som et resultat af en aldrende befolkning, men også på grund af en forbedret medicinsk behandling af, og tertiær forebyggelse hos, mennesker med kroniske sygdomme. Interessen i forskning om multisygdom har også været støt stigende de seneste år, men, trods denne interesse, er der fortsat ingen konsensus om, hvordan multisygdom skal defineres, og varia- tionen i, hvordan multisygdom bliver defineret og brugt i den videnskabelige litteratur, er stor. Med denne artikel vil vi diskutere konsekvenserne af heterogeniteten i definitionen af multisygdom. Vi tager udgangspunkt i en systematisk gennemgang af definitionen af mul- tisygdom, og diskuterer, om begrebet multisygdom giver mening og for hvem, og om vi med de eksisterende definitioner kan risikere at fokusere på andre patienter end dem, der har det største behov. Dette leder derefter over i en diskussion om, hvorvidt definitionsproblematikkerne skaber risiko for, at multisygdom i sig selv som begreb kan føre til overdiagnostik og dermed være til mere skade end gavn for patienterne.
De Argentina al Mediterráneo insular. El plácido viaje de Mariano Montesinos
Authors: Lladó Pol Francisca
Published: June 2020

La finalidad de este artículo es la recuperación del pintor argentino Mariano Montesinos en su paso por Mallorca (1925-1936). Para ello se ha partido de la idea de insularidad dentro del enclave mediterráneo occidental ya que entre finales del siglo XIX y las primeras décadas del XX los conceptos de modernidad y clasicismo se hallaban intrínsecamente unidos. Ha sido necesario analizar los movimientos en boga que oscilaban entre el novecentismo italiano, el retorno al orden y el noucentisme y a partir de este último se efectuará un análisis más exhaustivo, consecuencia de las relaciones entre Mallorca y Cataluña. Para comprender correctamente sus intereses se han tenido en cuenta las manifestaciones artísticas argentinas y los medios de difusión ligados al arte nuevo o martinfierrismo. El hecho de trabajar de forma comparativa a la vez que interrelacionada permite recolocar las relaciones entre España y Argentina, tanto dentro de los circuitos del internacionalismo como para el reconocimiento de centros artísticos al margen de Madrid y Barcelona. El resultado es una producción ambivalente en el arte de Montesinos que nos permite asignarle un papel relevante en la modernidad que paulatinamente entraba en Mallorca, periodo que constituye la etapa más fructífera de su trayectoria.
Los III condes de Miranda y sus fundaciones religiosas: entre el recuerdo familiar y la exaltación del linaje
Authors: Escorial Esgueva Juan
Published: June 2020

Francisco de Zúñiga y Avellaneda, III conde de Miranda, y su esposa, María Enríquez de Cárdenas, desarrollaron, a lo largo del primer tercio del siglo XVI, un importante conjunto de actuaciones entre las que sus fundaciones religiosas destacan de forma especial. Las distintas promociones que el matrimonio llevó a cabo en la villa burgalesa de Peñaranda de Duero contribuyeron a definir la nueva imagen con la que se quería identificar a su linaje, y la construcción de la capilla mayor del monasterio de Santa María de La Vid, donde se ubicaría su sepultura, representa el testimonio más elocuente de esta dinámica.
La escuela pictórica de Amberes en la segunda mitad del siglo XVI en Burgos. La estela de Frans Floris a través de dos obras de sus discípulos: Crispijn van den Broeck y Frans Pourbus I
Authors: Rodríguez Ana Diéguez , Payo Hernanz René Jesús
Published: June 2020

Crispijn van den Broeck y Frans Pourbus I fueron dos pintores flamencos discípulos de Frans Floris. Su actividad artística se desarrolló en la segunda mitad del siglo XVI. Lograron gran fama y sus obras fueron exportadas a muchos países Europeos. En Burgos se conservan dos interesantes pinturas sobre tabla: Un Juicio Final de Crispijn van den Broeck y un San Jerónimo de Frans Pourbus I que llegaron a esta ciudad gracias a las relaciones comerciales entre Castilla y Flandes.
Eessõna / Foreword
Authors: Laak Marin
Published: June 2020

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Tackling the SARS-CoV-2 main protease using hybrid derivatives of 1,5-disubstituted tetrazole-1,2,3-triazoles: an in silico assay
Authors: Cortés-García Carlos J. , Chacón-García Luis , Mejía-Benavides Jorge Emmanuel , Díaz-Cervantes Erik
Published: June 2020

In regard to the actual public health global emergency and, based on the state of the art about the ways to inhibit the SARS-CoV-2 treating the COVID19, a family of 1,5-disubstituted tetrazole-1,2,3-triazoles, previously synthesized, have been evaluated through in silico assays against the main protease of the mentioned virus (CoV-2-MPro). The results show that three of these compounds present a more favorable interaction with the selected target than the co-crystallized molecule, which is a peptide-like derivative. It was also found that also hydrophobic interactions play a key role in the ligand-target molecular couplings, due to the higher hydrophobic surfaces into the active site. Finally, a pharmacophore model has been proposed based on the results below, and a family of 1,5-DT derivatives has been designed and tested with the same methods employed in this work. It was concluded that the compound with the isatin as a substituent (P8) present the higher ligand-target interaction, which makes this a strong drug candidate against COVID19, due can inhibit the CoV-2-MProprotein.
Behavioral, morphological, and ecological trait evolution in two clades of New World Sparrows (AimophilaandPeucaea, Passerellidae)
Authors: Cicero Carla , Mason Nicholas A. , Benedict Lauryn , Rising James D.
Published: June 2020

The New World sparrows (Passerellidae) are a large, diverse group of songbirds that vary in morphology, behavior, and ecology. Thus, they are excellent for studying trait evolution in a phylogenetic framework. We examined lability versus conservatism in morphological and behavioral traits in two related clades of sparrows (Aimophila, Peucaea), and assessed whether habitat has played an important role in trait evolution. We first inferred a multi-locus phylogeny which we used to reconstruct ancestral states, and then quantified phylogenetic signal among morphological and behavioral traits in these clades and in New World sparrows more broadly. Behavioral traits have a stronger phylogenetic signal than morphological traits. Specifically, vocal duets and song structure are the most highly conserved traits, and nesting behavior appears to be maintained within clades. Furthermore, we found a strong correlation between open habitat and unpatterned plumage, complex song, and ground nesting. However, even within lineages that share the same habitat type, species vary in nesting, plumage pattern, song complexity, and duetting. Our findings highlight trade-offs between behavior, morphology, and ecology in sparrow diversification.
Effects of supplementary feeding on the rumen morphology and bacterial diversity in lambs
Authors: Lv Feng , Wang Xiaojuan , Pang Xin , Liu Guohua
Published: June 2020

Early supplementary feeding of lambs before weaning is important to meet their nutritional needs, promote the development of rumen and improve performance. To study the effect of early supplementary feeding on rumen development and the microbiota of lambs, 22 Hu lambs were randomly divided into two groups: one group was fed with milk replacer (group C), and the other group was fed with milk replacer and starter (group S). At 28 days, six lambs in each group were slaughtered, and the rumen content and tissue samples were collected for detection and analysis. The starter significantly promoted the length of rumen papilla (P = 0.03), the concentration of acetate, propionate, butyrate and total volatile fatty acids (TVFA) (P < 0.01), which were higher in group S compared with group C. Group C had a higher rumen microbial diversity than group S. The dominant bacteria in the two groups were the same (Bacteroidetes, Firmicutes and Proteobacteria); however, they differed notably at the genus level. The microbial abundance of the two groups was significantly different for 22 species. In group C, the first three dominant bacteria were Bacteroides, Porphyromonas, and Campylobacter, while in group S they were Succinivibrio, unidentified_Prevotellaceae, and unidentified_Lachnospiraceae. Spearman correlation analysis showed that some ruminal bacteria were closely related to internal environmental factors, e.g., the relative abundances of unidentified_Bacteria, Euryarchaeota, Fusobacteria, and Gracilibacteria correlated negatively with acetate, propionate, butyrate, and TVFA (P < 0.05), while the relative abundances of Firmicutes correlated positively with acetate, propionate, butyrate and TVFA (P < 0.05). Bacteroidetes correlated negatively with propionate, butyrate, and TVFA (P < 0.05); Synergistetes correlated negatively with acetate, propionate, and butyrate (P < 0.05); Deinococcus-Thermus correlated negatively with propionate, butyrate, and TVFA (P < 0.05); Spirochaetes correlated negatively with propionate and TVFA (P < 0.05); and Elusimicrobia correlated negatively with propionate and butyrate (P < 0.05). Actinobacteria and Verrucomicrobia correlated positively correlated with NH3-N. In conclusion, supplementary feeding of lambs before weaning promoted the development of rumen tissue morphology and rumen microorganisms.
Grupos minoritarios en la ficción televisiva española: análisis de contenido y percepciones ciudadanas para la creación de un índice de diversidad
Authors:   Universidad de Salamanca España, Marcos Ramos María , González-de-Garay Beatriz ,   Universidad de Salamanca España, Arcila Calderón Carlos ,   Universidad de Salamanca España
Published: June 2020

El artículo analiza la diversidad de género, orientación sexual, nacionalidad y edad en las series de televisión españolas emitidas en prime time durante el año 2016 y el primer semestre de 2017. A partir de un análisis de contenido realizado a una muestra de más de 700 personajes se creó un índice de diversidad y se realizó una encuesta para analizar la percepción de la población. De este modo, en este trabajo se presentan los resultados de dos estudios, además de la creación de un índice elaborado ad-hoc. Una vez analizados los datos, se concluye que, en general, la diversidad mostrada en la ficción audiovisual española es baja (0,76 en una escala de 0-4), con diferencias importantes entre las series; sin embargo cuando los ciudadanos españoles fueron preguntados sobre este aspecto, expresaron estar ligeramente de acuerdo (2,16 en una escala de 0-4) en que las mujeres, los mayores de 65 años o la población LGBT+ estaban correctamente representados en la ficción, mientras que no se mostraron ni en acuerdo o desacuerdo con que el porcentaje de los personajes no nacionales se correspondiera con la realidad
Is There Any Connection between Urine pH with Freckles?
Authors: Qadir Muhammad Imran , Asghar Aqsa
Published: June 2020

The aim of the present study was to show the relationship between urine pH and freckles. We asked about this to 100 participants in the research. These participants were the students of Bahauddin Zakariya University. By urine sample, we analyze the acidity or alkalinity of urine. The test for checking the acidity or alkalinity of urine is also called a urine pH test. A urine test shows the acidic or basic result if we take medicine our diet or many diseases. Freckles are a small brown spot on the surface of the skin. They only not found on the skin of the children. Freckles have a different color like dark brown, sometimes black moles type.  It was concluded from the result that the test was non-significant because there was no link between urine pH and freckles.
Nonparametric Tests for the Umbrella Alternative with Unknown Peak in a Mixed Design
Authors: Alsuhabi Hassan , Magel Rhonda
Published: June 2020

Aims: Introducing and comparing 4 different tests for the unknown umbrella alternative in a mixed design.

Study Design: Simulation study consisting of a randomized complete block portion and a completely randomized design portion for various underlying distributions.

Place and Duration of Study: Simulation Study – conducted at North Dakota State University from September 2018 through December 2019.

Methodology: This paper proposes four non-parametric tests for testing the umbrella alternative with unknown peak when the data are mixture of a randomized complete block and a completely randomized design. The proposed tests are various combinations of a modified (unmodified) Mack-Wolfe’s test and a modified (unmodified) Kim-Kim’s test, respectively. In this paper, the proposed tests are an extension of Magel et al. (2010) and Hassan and Magel (2020) peak known tests to the unknown peak setting. The four proposed test statistics are compared to each other.

Results: When there were 3 populations, the unmodified versions of the test statistics did better than the modified versions.  When there were 4 and 5 populations, the results varied.

Conclusion: All of the test statistics reached their asymptotic distributions quickly.  The standardize first versions of the test statistics were generally better than the standardized last version of the test statistics, which meant that it was better to place equal weights on the RCBD portion and the CRD portion.
Mucinous Adenocarcinoma of the Colon in Uganda: A Case Report and Literature Review
Authors: Wismayer Richard
Published: June 2020

Introduction: In Uganda, the Kampala Cancer Registry has reported a steady increase in the incidence of colorectal carcinoma(CRC) over the last few decades. The author reports a case of a 25 year old gentleman presenting with bowel obstruction and found to have mucinous adenocarcinoma of the colon. This is followed by a literature review of the clinical and pathological characteristics of young age sporadic colorectal carcinoma (YSCC) and hereditary nonpolyposis colorectal carcinoma (HNPCC).

Presentation of Case: This patient presented with a family history of colorectal carcinoma (CRC) and with bowel obstruction. An emergency laparotomy involving a right hemicolectomy was carried out. The postoperative course of this patient was uneventful.

Discussion: The typical histological features of mucinous adenocarcinoma of the colon were seen on the resected colon specimen. In addition this study reviews the literature regarding the clinical presentation, pathological characteristics, histology and prognosis of mucinous and medullary carcinoma of the colon.

Conclusions: Mucinous adenocarcinoma happens to be the most common histological type of colorectal carcinoma in young adults. In Uganda, low risk young patients with symptoms should be screened for colorectal lesions. A high index of suspicion should therefore be taken in the diagnosis of colorectal malignancy in these patients.
ACESSO À INFORMAÇÃO: CONSTRUÇÃO DE INDICADORES E ANÁLISE DE PERFIL DO CIDADÃO ATRAVÉS DO PORTAL e-SIC NO ANO DE 2018
Authors: Silva Marcelo de Andrade , Menezes Pablo Vinícius D’oliveira
Published: June 2020

Todo cidadão brasileiro pode acessar as informações públicas que estão sob custódia do Estado. Esse direito é considerado fundamental e está previsto na Constituição Federal de 1988. O presente artigo tem como objetivo de analisar os diferentes perfis dos cidadãos que solicitam informações por meio do Sistema Eletrônico do Serviço de Informações ao Cidadão (e-SIC), tendo como referência o ano de 2018. Para alcançar o objetivo proposto, utilizou-se de métodos dedutivos e analíticos, e após extrair os dados necessários, foi montada uma base de dados com indicadores a fim de obter os resultados. A pesquisa teve como amostra as solicitações realizadas nas Capitais Brasileiras, sendo agrupadas por Regiões (Norte, Nordeste, Sudeste, Sul e Centro-Oeste). Tais indicadores são: Gênero, Idade, Grau de Escolaridade e Profissão. Através da análise dos resultados foi possível verificar que a idade média dos cidadãos que acessam o e-SIC ficou acima dos 40 anos. Analisando o grau de escolaridade, vimos que os cidadãos que possuem grau de escolaridade de nível superior são maioria. Na pesquisa também fica evidente que as mulheres ainda são minoria na participação política, além de outros aspectos sociais identificados, que apontam um alerta para a sociedade da informação e suas esferas públicas.
AVALIAÇÃO DE DESEMPENHO DOCENTE NO ENSINO MÉDIO COM INTERMEDIAÇÃO TECNOLÓGICA: concepções e resultados
Authors: Costa Jean Mário Araujo , Oliveira Ieda Pinheiro da Silva , Santos Letícia Machado dos
Published: June 2020

Este artigo tem o objetivo de analisar em que medida o desempenho docente na área de linguagens atende aos parâmetros estabelecidos pela proposta de avaliação do ensino do programa Ensino Médio com Intermediação Tecnológica (EMITEC), instituído em 2011 na rede estadual de ensino da Bahia para oferta da última etapa da educação básica, na modalidade presencial, via mediação tecnológica, com características especificas de EaD. Parte-se da premissa de que a preocupação com a qualidade de ensino, o crescimento da demanda por formação continuada e a constante evolução das tecnologias de informação e comunicação, colocam a educação a distância (EaD) no centro das atenções. A metodologia contemplou a pesquisa exploratória, utilizando-se da técnica de amostragem e do questionário como instrumento de coleta de dados. A análise dos dados pautou-se no método comparativo. Os resultados apontam que o processo de apropriação de saberes docentes, no campo da intermediação tecnológica, na área de linguagens, no âmbito do EMITec é crescente. Alguns achados, porém, chamam a atenção, em se tratando dos indicadores: comunicação verbal, imagem pessoal e recursos didáticos.
INVESTIGACIÓN EDUCATIVA: avances y dilemas en un contexto complejo
Authors: Silva María Alejandra
Published: June 2020

Este trabajo tiene como objetivo conocer los avances y dificultades presentadas en el quehacer cotidiano de las investigaciones educativas, con el fin de promover nuevas miradas en un contexto social complejo, conflictivo y cambiante.Para tal fin se parte de comprender la educación es imposible pensarla sin su vínculo con la sociedad, determinada por un contexto político y económico. Se considera que, si bien la educación tiene cierta autonomía, es fundamental encarar sus análisis en el marco de procesos sociales, económicos y políticos nacionales y globales (WAINERMAN y DI VIRGILIO, 2011, p. 58). Desde la segunda visión la inclusión se resuelve con intervenciones en la escuela centradas solamente en el contenido, la didáctica y la formación del docente.
REVISÃO SISTEMÁTICA AMBIENTE WEB GAMIFICADO PARA CURSOS DE ENGENHARIA E TECNÓLOGOS
Authors: Sabino Eliney , Cardoso José Roberto
Published: June 2020

Tendo em vista o cenário atual da sociedade da informação, é relevante analisar seus desdobramentos no campo educacional. Assim, o objetivo do presente trabalho é realizar uma revisão de literatura sobre o uso de software em sala de aula para monitorização, controle e interação entre professores e alunos. Para realização da presente revisão foram feitas pesquisas em bases internacionais de artigos científicos, como IEEE Xplore Digital Library e Emerald Insight, que contém artigos livres. Os resultados mostraram que não há estudos sobre o uso de software de interação em sala de aula no ensino fundamental.
Crystal structure of the human NLRP9 pyrin domain suggests a distinct mode of inflammasome assembly
Authors: Marleaux Michael , Anand Kanchan , Latz Eicke , Geyer Matthias
Published: June 2020

Inflammasomes are cytosolic multimeric signaling complexes of the innate immune system that induce activation of caspases. The NOD‐like receptor NLRP9 recruits the adaptor protein ASC to form an ASC‐dependent inflammasome to limit rotaviral replication in intestinal epithelial cells, but only little is known about the molecular mechanisms regulating and driving its assembly. Here, we present the crystal structure of the human NLRP9 pyrin domain (PYD). We show that NLRP9PYD is not able to self‐polymerize nor to nucleate ASC specks in HEK293T cells. A comparison with filament‐forming PYDs revealed that NLRP9PYD adopts a conformation compatible with filament formation, but several charge inversions of interfacing residues might cause repulsive effects that prohibit self‐oligomerization. These results propose that inflammasome assembly of NLRP9 might differ largely from what we know of other inflammasomes.
The Refinement Effect of Alumina–Silica Sol‐Coated ZnO Particles for Cast Magnesium
Authors: Cao Rui , Meng Meng
Published: June 2020

Based on edge‐to‐edge matching crystallographic model, ZnO is identified as an effective grain refiner for magnesium. However, the reduction of ZnO particles by molten Mg destroys the crystal structure and restricts its refinement efficiency. Herein, alumina/silica sol–gel coatings are prepared on the surface of micrometer‐sized ZnO, forming a ZnO core sol‐coating shell structure to improve the thermal stability of the ZnO. Experimental observations indicate that the refining effect of ZnO is significantly enhanced by the presence of alumina‐silica sol (ASS) coatings and the core‐shell structure. The addition of 1.5 wt% ASS‐coated ZnO particles to Mg reduced the grain size from ≈3200 to 65 μm. The grain size of the Mg‐3wt%Al‐1 wt%‐Zn alloy (AZ31) can also be refined from 145 to 82 μm. Scanning electron microscopy and X‐ray powder diffraction reveals that the sol coating partly maintain the crystal structure of ZnO. More unreduced ZnO and related solid redox products are reproducibly observed within the refined Mg grains, which promote heterogeneous nucleation of Mg. Zn, and Al solute produced by relative reduction and unreduced ZnO on grain boundaries also contribute to refinement. In addition, the ASS coating also increase the refining efficiency of ZnO for Mg and AZ31 at various cooling rates.
z‐Wire: A Microscaffold That Supports Guided Tissue Assembly and Intramyocardium Delivery for Cardiac Repair
Authors: Portillo‐Esquivel Luis Eduardo , Nanduri Vibudha , Zhang Feng , Liang Wenbin , Zhang Boyang
Published: June 2020

Tissue engineering holds promise to replace damaged tissues for repair of vital organs in the human body. In cardiac repairs specifically, approaches are developed for intramyocardial delivery of cells and the epicardial delivery of tissue‐engineered cardiac patches, providing benefit of cell localization and tissue structure, respectively. However, to improve cell retention and integration, there is a need for the intramyocardial delivery of functional tissues while preserving anisotropic muscle alignment. Here, a biodegradable z‐wire scaffold that supports the scalable gel‐free production of an array of functional cardiac tissues in a 384‐well plate format is developed. The z‐wire scaffold design supports cellular alignment, provides tunable mechanical support, and allows for tissue contraction. When the scaffold is imparted with magnetic properties, individual tissues can be assembled with macroscopic alignment under magnetic guidance. When used in combination with a customized surgical delivery tool, z‐wire tissues can be injected directly into the myocardial wall, with controlled tissue orientation according to the injection path. This modular tissue engineering approach, in combination with the use of smart scaffolds, can expand opportunity in functional tissue delivery.
Acid‐Induced In Vivo Assembly of Gold Nanoparticles for Enhanced Photoacoustic Imaging‐Guided Photothermal Therapy of Tumors
Authors: Zhang Ruili , Wang Linlin , Wang Xiaofei , Jia Qian , Chen Zhuang , Yang Zuo , Ji Renchuan , Tian Jie , Wang Zhongliang
Published: June 2020

The complexity of biological systems poses a great challenge in the development of nanotheranostic agents with enhanced therapeutic efficacies. To systematically overcome a series of barriers during in vivo administration and achieve optimal antitumor activity, nanotheranostic agents that can self‐adaptively change their properties in response to certain tumor‐associated signals are highly preferable. Herein, gold nanoparticles with a mixed‐charge zwitterionic surface (Au‐MUA‐TMA) is fabricated, which can undergo pH‐triggered self‐assembly for promoting tumor targeting and improving photoacoustic imaging (PAI)‐guided photothermal tumor ablation. In blood and normal tissues, relatively small‐sized Au‐MUA‐TMA can circulate stably, and upon arriving at the tumor sites, they quickly assemble into larger aggregates in an acidic tumor environment to ensure higher tumor accumulation and retention. Furthermore, the absorption band of Au‐MUA‐TMA can be remarkably shifted to the near‐infrared (NIR) region, which effectively activates the photoacoustic (PA) signals of tumors and enhances photothermal therapy (PTT) with minimal side effects. This in vivo self‐assembly strategy enables the nanotheranostic agents to better fulfill multiple requirements for in vivo application, thereby attaining advanced performances in cancer diagnosis and treatment.
Enhanced Optical Emission from 2D InSe Bent onto Si‐Pillars
Authors: Mazumder Debarati , Xie Jiahao , Kudrynskyi Zakhar R. , Wang Xinjiang , Makarovsky Oleg , Bhuiyan Mahabub A. , Kim Hyunseok , Chang Ting‐Yuan , Huffaker Diana L. , Kovalyuk Zakhar D. , Zhang Lijun , Patanè Amalia
Published: June 2020

Controlling the propagation and intensity of an optical signal is central to several technologies ranging from quantum communication to signal processing. These require a versatile class of functional materials with tailored electronic and optical properties, and compatibility with different platforms for electronics and optoelectronics. Here, the inherent optical anisotropy and mechanical flexibility of atomically thin semiconducting layers are investigated and exploited to induce a controlled enhancement of optical signals. This enhancement is achieved by straining and bending layers of the van der Waals crystal indium selenide (InSe) onto a periodic array of Si‐pillars. This enhancement has strong dependence on the layer thickness and is modelled by first‐principles electronic band structure theory, revealing the role of the symmetry of the atomic orbitals and light polarization dipole selection rules on the optical properties of the bent layers. The effects described in this paper are qualitatively different from those reported in other materials, such as transition metal dichalcogenides, and do not arise from a photonic cavity effect, as demonstrated before for other semiconductors. The findings on InSe offer a route to flexible nano‐photonics compatible with silicon electronics by exploiting the flexibility and anisotropic and wide spectral optical response of a 2D layered material.
Building Confidence in Simulation: Applications of EasyVVUQ
Authors: Wright David W. , Richardson Robin A. , Edeling Wouter , Lakhlili Jalal , Sinclair Robert C. , Jancauskas Vytautas , Suleimenova Diana , Bosak Bartosz , Kulczewski Michal , Piontek Tomasz , Kopta Piotr , Chirca Irina , Arabnejad Hamid , Luk Onnie O. , Hoenen Olivier , Węglarz Jan , Crommelin Daan , Groen Derek , Coveney Peter V.
Published: June 2020

Validation, verification, and uncertainty quantification (VVUQ) of simulation workflows are essential for building trust in simulation results, and their increased use in decision‐making processes. The EasyVVUQ Python library is designed to facilitate implementation of advanced VVUQ techniques in new or existing workflows, with a particular focus on high‐performance computing, middleware agnosticism, and multiscale modeling. Here, the application of EasyVVUQ to five very diverse application areas is demonstrated: materials properties, ocean circulation modeling, fusion reactors, forced human migration, and urban air quality prediction.
Rapid formation of methane hydrates with compact agglomeration via regulating the hydrophilic groups of nanopromoters
Authors: Lin Yan , Liu Li , Sun Meng‐Ting , Chen Chen , Zhang Guo‐Dong , He Yan , Wang Fei
Published: June 2020

Gas hydrates have been endowed with great potential as the medium for natural gas storage & transportation. In this work, we prepared novel nanopromoters by grafting hydrophilic groups (SO3−, COO− and N[CH3]3+) covalently on polystyrene nanospheres (Group@PSNS), and for the first time achieved rapid formation of methane hydrates together compact agglomeration by regulating the hydrophilic groups on the surface of nanopromoters. When SO3−@PSNS was used, methane hydrates formed rapidly but loosely in the reactor; while for COO−@PSNS and N(CH3)3+@PSNS, even the hydrate formation rate was seriously reduced, the formed hydrates agglomerated compactly in the reactor bottom. Interestingly, when both SO3− and COO− were fixed on the nanospheres, both the hydrate growth rate and agglomeration compactness were controlled. Especially, the nanopromoter with the SO3−/COO− molar ratio of 2:1 resulted in the formation of methane hydrates with compact agglomeration morphology within 1–2 hr and with the storage capacity reaching 140–145 vol/vol.
X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists
Authors: Jespers Willem , Verdon Grégory , Azuaje Jhonny , Majellaro Maria , Keränen Henrik , García‐Mera Xerardo , Congreve Miles , Deflorian Francesca , de Graaf Chris , Zhukov Andrei , Doré Andrew S. , Mason Jonathan S. , Åqvist Johan , Cooke Robert M. , Sotelo Eddy , Gutiérrez‐de‐Terán Hugo
Published: June 2020

We present a robust protocol based on iterations of free energy perturbation (FEP) calculations, chemical synthesis, biophysical mapping and X‐ray crystallography to reveal the binding mode of an antagonist series to the A2A adenosine receptor (AR). Eight A2AAR binding site mutations from biophysical mapping experiments were initially analyzed with sidechain FEP simulations, performed on alternate binding modes. The results distinctively supported one binding mode, which was subsequently used to design new chromone derivatives. Their affinities for the A2AAR were experimentally determined and investigated through a cycle of ligand‐FEP calculations, validating the binding orientation of the different chemical substituents proposed. Subsequent X‐ray crystallography of the A2AAR with a low and a high affinity chromone derivative confirmed the predicted binding orientation. The new molecules and structures here reported were driven by free energy calculations, and provide new insights on antagonist binding to the A2AAR, an emerging target in immuno‐oncology.
Superclean Growth of Graphene Using a Cold‐Wall Chemical Vapor Deposition Approach
Authors: Jia Kaicheng , Ci Haina , Zhang Jincan , Sun Zhongti , Ma Ziteng , Zhu Yeshu , Liu Shengnan , Liu Junling , Sun Luzhao , Liu Xiaoting , Sun Jingyu , Yin Wanjian , Peng Hailin , Lin Li , Liu Zhongfan
Published: June 2020

Chemical vapor deposition (CVD) has become a promising approach for the industrial production of graphene films with appealing controllability and uniformity. However, in the conventional hot‐wall CVD system, CVD‐derived graphene films suffer from surface contamination originating from the gas‐phase reaction during the high‐temperature growth. Shown here is that the cold‐wall CVD system is capable of suppressing the gas‐phase reaction, and achieves the superclean growth of graphene films in a controllable manner. The as‐received superclean graphene film, exhibiting improved optical and electrical properties, was proven to be an ideal candidate material used as transparent electrodes and substrate for epitaxial growth. This study provides a new promising choice for industrial production of high‐quality graphene films, and the finding about the engineering of the gas‐phase reaction, which is usually overlooked, will be instructive for future research on CVD growth of graphene.
Vacancy‐Rich Ni(OH)2 Drives the Electrooxidation of Amino C−N Bonds to Nitrile C≡N Bonds
Authors: Wang Wenbin , Wang Yutang , Yang Ruoou , Wen Qunlei , Liu Youwen , Jiang Zheng , Li Huiqiao , Zhai Tianyou
Published: June 2020

Electrochemical synthesis based on electrons as reagents provides a broad prospect for commodity chemical manufacturing. A direct one‐step route for the electrooxidation of amino C−N bonds to nitrile C≡N bonds offers an alternative pathway for nitrile production. However, this route has not been fully explored with respect to either the chemical bond reforming process or the performance optimization. Proposed here is a model of vacancy‐rich Ni(OH)2 atomic layers for studying the performance relationship with respect to structure. Theoretical calculations show the vacancy‐induced local electropositive sites chemisorb the N atom with a lone pair of electrons and then attack the corresponding N(sp3)−H, thus accelerating amino C−N bond activation for dehydrogenation directly into the C≡N bond. Vacancy‐rich nanosheets exhibit up to 96.5 % propionitrile selectivity at a moderate potential of 1.38 V. These findings can lead to a new pathway for facilitating catalytic reactions in the chemicals industry.
Direct Atomic‐Level Imaging of Zeolites: Oxygen, Sodium in Na‐LTA and Iron in Fe‐MFI
Authors: Mayoral Alvaro , Zhang Qing , Zhou Yi , Chen Pengyu , Ma Yanhang , Monji Taro , Losch Pit , Schmidt Wolfgang , Schüth Ferdi , Hirao Hajime , Yu Jihong , Terasaki Osamu
Published: June 2020

Zeolites are becoming more versatile in their chemical functions through rational design of their frameworks. Therefore, direct imaging of all atoms at the atomic scale, basic units (Si, Al, and O), heteroatoms in the framework, and extra‐framework cations, is needed. TEM provides local information at the atomic level, but the serious problem of electron‐beam damage needs to be overcome. Herein, all framework atoms, including oxygen and most of the extra‐framework Na cations, are successfully observed in one of the most electron‐beam‐sensitive and lowest framework density zeolites, Na‐LTA. Zeolite performance, for instance in catalysis, is highly dependent on the location of incorporated heteroatoms. Fe single atomic sites in the MFI framework have been imaged for the first time. The approach presented here, combining image analysis, electron diffraction, and DFT calculations, can provide essential structural keys for tuning catalytically active sites at the atomic level.
Reaktionen in Tirapazamin induziert durch die Anlagerung von niederenergetischen Elektronen: Dissoziation versus Roaming von OH
Authors: Arthur‐Baidoo Eugene , Ameixa João , Ziegler Patrick , Ferreira da Silva Filipe , Ončák Milan , Denifl Stephan
Published: June 2020

Tirapazamin (TPZ) wurde aufgrund seiner potenziell hochselektiven Toxizität gegenüber hypoxischen Tumorzellen in klinischen Studien zur Radio‐Chemotherapie getestet. Dabei wurde vorgeschlagen, dass sich entweder das Hydroxyl‐Radikal oder das Benzotriazinyl‐Radikal nach der anfänglichen Reduktion von TPZ als bioaktives Radikal bildet. In dieser Arbeit beschäftigten wir uns mit der niederenergetischen Elektronenanlagerung an TPZ in der Gasphase und untersuchten die Zersetzung des gebildeten TPZ‐Anions mittels Massenspektrometrie. Wir beobachteten die Bildung des (TPZ‐OH)− Anions, begleitet von der Abspaltung des Hydroxyl‐radikals als dem bei weitem häufigsten Reaktionsweg. Quanten‐chemische Berechnungen legen nahe, dass die NH2‐Pyramidalisierung die Schlüsselkoordinate für die Reaktions‐dynamik bei Elektronenanlagerung ist. Für andere beobachtete Reaktionskanäle schlagen wir einen OH‐Roaming‐Mechanismus vor, der in Konkurrenz zur OH‐Dissoziation steht.
Copper‐Catalyzed Borylative Couplings with C−N Electrophiles
Authors: Talbot Fabien J. T. , Dherbassy Quentin , Manna Srimanta , Shi Chunling , Zhang Shibo , Howell Gareth P. , Perry Gregory J. P. , Procter David J.
Published: June 2020

Copper‐catalyzed borylative multicomponent reactions (MCRs) involving olefins and C−N electrophiles are a powerful tool to rapidly build up molecular complexity. The products from these reactions contain multiple functionalities, such as amino, cyano and boronate groups, that are ubiquitous in medicinal and process chemistry programs. Copper‐catalyzed MCRs are particularly attractive because they use a relatively abundant and non‐toxic catalyst to selectively deliver high‐value products from simple feedstocks such as olefins. In this Minireview, we explore this rapidly emerging field and survey the borylative union of allenes, dienes, styrenes and other olefins, with imines, nitriles and related C−N electrophiles.
Thermally Activated Adsorption in Metal–Organic Frameworks with a Temperature‐Tunable Diffusion Barrier Layer
Authors: Tan Kui , Jensen Stephanie , Wang Hao , Feng Liang , Wei Kevin , Zhou Hong‐Cai , Li Jing , Thonhauser Timo
Published: June 2020

Modification of the external surfaces of metal–organic frameworks offers a new level of control over their adsorption behavior. It was previously shown that capping of MOFs with ethylenediamine (EDA) can effectively retain small gaseous molecules at room temperature. Reported here is a temperature‐induced variation in the capping‐layer gate‐opening mechanism through a combination of in situ infared experiments and ab initio simulations of the capping layer. An atypical acceleration and increase in the loading of weakly adsorbed molecules upon raising the temperature above room temperature is observed. These findings show the discovery of novel temperature‐dependent kinetics that goes beyond standard kinetics and suggest a new avenue for tailoring selective adsorption by thermally tuning the surface barrier.
The Direct Partial Oxidation of Methane to Dimethyl Ether over Pt/Y2O3Catalysts Using an NO/O2Shuttle
Authors: Vargheese Vibin , Kobayashi Yasukazu , Oyama S. Ted
Published: June 2020

Using a mixture of NO + O2as the oxidant enabled the direct selective oxidation of methane to dimethyl ether (DME) over Pt/Y2O3. The reaction was carried out in a fixed bed reactor at 0.1 MPa over a temperature range of 275–375 °C. During the activity tests, the only carbon‐containing products were DME and CO2. The DME productivity (μmol gcat−1 h−1) was comparable to oxygenate productivities reported in the literature for strong oxidants (N2O, H2O2, O3). The NO + O2mixture formed NO2, which acted as the oxygen atom carrier for the ultimate oxidant O2. During the methane partial oxidation reaction, NO and NO2were not reduced to N2. In situ FTIR showed the formation of surface nitrate species, which are considered to be key intermediate species for the selective oxidation.
Crystallization‐Driven Asymmetric Helical Assembly of Conjugated Block Copolymers and the Aggregation Induced White‐light Emission and Circularly Polarized Luminescence
Authors: Xu Lei , Wang Chao , Li Yan‐Xiang , Xu Xun‐Hui , Zhou Li , Liu Na , Wu Zong‐Quan
Published: June 2020

Controlling the self‐assembly morphology of π‐conjugated block copolymer is of great interesting. Herein, amphiphilic poly(3‐hexylthiophene)‐block‐poly(phenyl isocyanide)s (P3HT‐b‐PPI) copolymers composed of π‐conjugated P3HT and optically active helical PPI segments were readily prepared. Taking advantage of the crystallizable nature of P3HT and the chirality of the helical PPI segment, crystallization‐driven asymmetric self‐assembly (CDASA) of the block copolymers lead to the formation of single‐handed helical nanofibers with controlled length, narrow dispersity, and well‐defined helicity. During the self‐assembly process, the chirality of helical PPI was transferred to the supramolecular assemblies, giving the helical assemblies large optical activity. The single‐handed helical assemblies of the block copolymers exhibited interesting white‐light emission and circularly polarized luminescence (CPL). The handedness and dissymmetric factor of the induced CPL can be finely tuned through the variation on the helicity and length of the helical nanofibers.
The fabrication of flexible and oxygen barrier cellulose nanofiber/polylactic acid nanocomposites using cosolvent system
Authors: Jung Bich Nam , Jung Hyun Wook , Kang Dong Ho , Kim Gi Hong , Lee Miji , Shim Jin Kie , Hwang Sung Wook
Published: June 2020

The main disadvantages of polylactic acid (PLA) for food packaging applications are its brittleness and poor gas barrier properties. The purpose of this study is to evaluate the potential usability of triethyl citrate (TEC) and cellulose nanofiber (CNF) in PLA to obtain bio‐based films with optimal properties. The incorporation of CNF as reinforcement fillers in polymer matrix has long been debated due to its difficulties to disperse uniformly in hydrophobic polymer matrix attribute to their hydrophobic nature. In order to overcome this problem, different feeding method for CNF into the mixer was studied, and CNF/PLA nanocomposites were characterized. It was found that CNF was successfully dispersed in the PLA matrix through the TEC‐CNF suspension, which greatly improved tensile strength and flexibility of the CNF/PLA nanocomposites. The oxygen barrier property was enhanced up to 47.3% (16.99 cc·mm/m2·day·atm) with the increase loading of 0.25, 0.50, and 1 wt% of CNF. Moreover, the dynamic mechanical analysis showed that the low tan delta peak of CNF/PLA nanocomposites (48.25°C) was shifted to high peak (52.99°C) due to incorporation of TEC; indicates an improved of thermal stability of the composites. Overall, the t‐CNF/PLA nanocomposites show a great feasibility for various eco‐friendly flexible packaging applications.
Regulation of Cathode‐Electrolyte Interphase via Electrolyte Additives in Lithium Ion Batteries
Authors: Wang Xiao‐Tong , Gu Zhen‐Yi , Li Wen‐Hao , Zhao Xin‐Xin , Guo Jin‐Zhi , Du Kai‐Di , Luo Xiao‐Xi , Wu Xing‐Long
Published: June 2020

As the power supply of the prosperous new energy products, advanced lithium ion batteries (LIBs) are widely applied to portable energy equipment and large‐scale energy storage systems. To broaden the applicable range, considerable endeavours have been devoted towards improving the energy and power density of LIBs. However, the side reaction caused by the close contact between the electrode (particularly the cathode) and the electrolyte leads to capacity decay and structural degradation, which is a tricky problem to be solved. In order to overcome this obstacle, the researchers focused their attention on electrolyte additives. By adding additives to the electrolyte, the construction of a stable cathode‐electrolyte interphase (CEI) between the cathode and the electrolyte has been proven to competently elevate the overall electrochemical performance of LIBs. However, how to choose electrolyte additives that match different cathode systems ideally to achieve stable CEI layer construction and high‐performance LIBs is still in the stage of repeated experiments and exploration. This article specifically introduces the working mechanism of diverse electrolyte additives for forming a stable CEI layer and summarizes the latest research progress in the application of electrolyte additives for LIBs with diverse cathode materials. Finally, we tentatively set forth recommendations on the screening and customization of ideal additives required for the construction of robust CEI layer in LIBs. We believe this minireview will have a certain reference value for the design and construction of stable CEI layer to realize desirable performance of LIBs.