bluuebunny/crossref_metadata_2025 huggingface dataset:
Significant source of secondary aerosol: formation from gasoline evaporation emissions in the presence of SO2 and NH3
Authors: Chen Tianzeng , Liu Yongchun , Ma Qingxin , Chu Biwu , Zhang Peng , Liu Changgeng , Liu Jun , He Hong
Published: January 2019

Abstract. Gasoline evaporation emissions have become an important anthropogenic source of urban atmospheric VOCs and secondary organic aerosol (SOA). These emissions have a significant impact on regional air quality, especially in China where car ownership is growing rapidly. However, the contribution of evaporation emissions on the secondary aerosol (SA) is not clear in air pollution complex in which high concentration of SO2 and NH3 was present. In this study, the effects of SO2 and NH3 on SA formation from unburned gasoline vapors were investigated in a 30 m3 indoor smog chamber. It was found that increase in SO2 and NH3 concentrations could promote linearly the formation of SA, which could be enhanced by a factor of 1.6–2.6 and 2.0–2.5, respectively. Sulfate was most sensitive to the SO2 concentration, followed by organic aerosol, which was due not only to the well-known acid catalytic effect, but also related to the formation of organic sulfur-containing compounds. In the case of increasing NH3 concentration, ammonium nitrate increased more significantly than organic aerosol, and nitrogen-containing organics were also enhanced, as revealed by the results of positive matrix factorization (PMF) analysis. Meanwhile, new particle formation (NPF) and particle size growth were significantly enhanced in the presence of SO2 and NH3. This work indicates that gasoline evaporation emissions will be a significant source of SA, especially in the presence of high concentrations of SO2 and NH3. Meanwhile, these emissions might also be a potential source of sulfur- and nitrogen-containing organics. Our work provides a scientific basis for the synergistic emission reduction of secondary aerosol precursors, including NOx, SO2, NH3 and particularly VOCs, to mitigate PM pollution in China.
Green's theorem in seismic imaging across the scales
Authors: Wapenaar Kees , Brackenhoff Joeri , Thorbecke Jan
Published: January 2019

Abstract. The solid earth and exploration communities independently developed a variety of seismic imaging methods for passive- and active-source data. Despite the seemingly different approaches and underlying principles, many of those methods are based in some way or another on Green's theorem. The aim of this paper is to discuss a variety of imaging methods in a systematic way, using a specific form of Green's theorem (the homogeneous Green's function representation) as the common starting point. The imaging methods we cover are time-reversal acoustics, seismic interferometry, back propagation, source-receiver redatuming and imaging by double focusing. We review classical approaches and discuss recent developments that fully account for multiple scattering, using the Marchenko method. We briefly indicate new applications for monitoring and forecasting of responses to induced seismic sources, which are discussed in detail in a companion paper.
Destination or Decision Caused by Promotional Mix
Authors: Budiherwanto Iwan , Wahyudi Tri , Pramudyanto Rudy
Published: January 2019

This study aims to analyze the media advertising, individual sales, sales promotions and public relations to the decision to stay at the hotel. The population and sample are hotel visitors, the census sampling technique used to determine 70 respondents. This type of research is descriptive exploratory using primary and secondary data. The results of this study are advertising media, individual sales, sales promotions and public relations contributing to increasing hotel visitors.
Prognostic value of platelet to lymphocyte ratio in patients with non-small cell lung cancer
Authors: Elkady Mohammad Sabry , Refaat Ghada , Elsayed Zeinab , Farag Kyrillus
Published: January 2019

Background: The prognostic value of Platelet-to-lymphocyte ratio (PLR) in patients with non-small-cell lung cancer (NSCLC) is still indistinct. We conducted this study to assess the prognostic significance of pretreatment PLR in patients with unresectable NSCLC.Aim of the Work: To assess the prognostic significance of pre-treatment PLR in patients with NSCLC.Material and Methods: We retrospectively reviewed 130 patients treated for NSCLC with definitive/palliative chemotherapy and/or radiotherapy in Ain-Shams Universit hospital, Clinical Oncology department between January 2014 and December 2016. Pre-treatment CBC was available for the 130 patients to calculate PLR by dividing the absolute platelet count by the absolute lymphocytic count.Results: Out of 130 patients with available pre-treatment complete blood picture, population age ranged from 23 to 87 years. Male to female ratio was 4.8:1. Adenocarcinoma presents 51% of cases. Unresectable stage II and stage III present 2% and 27% respectively, while Stage IV presents 69%. Using a cut-off value of 150, a statistically significant correlation between baseline PLR > 150 and presence of distant metastases was found (p = .043); with a trend towards less advanced stage disease among group of patients with baseline PLR < 150 (p = .064). High PLR > 150 was significantly associated with poor overall survival (OS) (median OS: 10.33 months; 95% CI: 6.23-14.42, compared to patients with PLR < 150; (median OS: 24.63 months, 95% CI:11.5-37.76, p = .008), but not PFS. In multivariate analysis, PLR < 150 was an independent good prognostic factor for OS; (HR = 0.549; 95% CI: 0.314-0.958; p = .035).Conclusion: High PLR is associated with poor OS in patients with unresectable NSCLC.
Hacia un enfoque de justicia social: la percepción del profesorado sobre la educación intercultural en contextos de escasa presencia de alumnado extranjero
Authors: Maiztegui-Oñate Concepción , Villardón-Gallego Lourdes , Navarro Lashayas Miguel Ángel , Santibáñez Gruber Rosa
Published: January 2019

Este artículo examina la experiencia de un proyecto de educación intercultural en dos centros de educación primaria con presencia de alumnado extranjero muy poco significativa, numéricamente hablando. El objetivo del estudio es doble. En primer lugar, analizar el proceso de puesta en marcha de las actividades propuestas y en segundo lugar contribuir al debate teórico reflexionando sobre la noción de interculturalidad en el ámbito educativo desde un planteamiento de educación intercultural amplio, relacionado con la ciudadanía global y la educación para el desarrollo. Para el trabajo de campo se optó por un diseño metodológico cualitativo de índole exploratorio a partir de grupos de discusión (3 grupos) y cuadernos de registros del profesorado (10), que nos permitió analizar cuestiones teóricas de actualidad sobre el papel de la educación y constatar que, aunque el planteamiento intercultural se dirige tanto al alumnado autóctono como inmigrado, en general, se aprecia entre los docentes consultados una visión reducida de dicho concepto, identificando interculturalidad con población extranjera. Se distinguen tres visiones de interculturalidad: a) de tipo generalista; b) centrada en aspectos culturales, y c) enfoque de justicia social, que ofrece la oportunidad de profundizar en otros proyectos del centro como los relacionados con la educación en valores.
Modern assumptions of the American ballistic missile defence system against the background of historical concepts and programmes
Authors: Murat-Bors Aleksandra
Published: January 2019

The issue of missile defence has been present in American policy for over 70 years and
is constantly subject to research and the search for new technologies. Nowadays, the
proliferation of nuclear weapons and ballistic missiles, as well as the growing threat from
the so-called “rogue states” have caused the inevitable development of the missile defence
strategy. On the basis of historical programmes and the results of contemporary research,
the concept of a Ballistic Missile Defence System was created. The system is based on the
principles of indivisibility of the security of the Alliance and NATO solidarity, fair sharing
of risk and burdens as well as taking on reasonable challenges. One of the components
of the system is the European Phase Adaptive Approach, which was designed to protect
American allies and resources in the European region from the growing rocket threat.

This paper analyses the genesis of ballistic missile defence and what its development
tendencies are. The article contains a presentation of the essence of the US Ballistic
Missile Defence System, as well as its history and suspended programmes. The concept
of multilayered defence has been outlined, as have the technical details of the system’s
components and its location and operational status.
Determination of Fructan (Inulin, FOS, Levan, and Branched Fructan) in Animal Food (Animal Feed, Pet Food, and Ingredients): Single-Laboratory Validation, First Action 2018.07
Authors: McCleary Barry V , Charmier Lucie M J , McKie Vincent A , McLoughlin Ciara , Rogowski Artur
Published: January 2019

Traditional enzyme-based methods for measurement of fructan were designed to measure just inulin and branched-type (agave) fructans. The enzymes employed, namely exo-inulinase and endo-inulinase, give incompletely hydrolysis of levan. Levan hydrolysis requires a third enzyme, endo-levanase. This paper describes a method and commercial test kit (Megazyme Fructan Assay Kit) for the determination of all types of fructan (inulin, levan, and branched) in a variety of animal feeds and pet foods. The method has been validated in a single laboratory for analysis of pure inulin, agave fructan, levan, and a range of fructan containing samples. Quantification is based on complete hydrolysis of fructan to fructose and glucose by a mixture of exo-inulinase, endo-inulinase, and endo-levanase, followed by measurement of these sugars using the PAHBAH reducing sugar method which gives the same color response with fructose and glucose. Before hydrolysis of fructan, interfering sucrose and starch in the sample are specifically hydrolyzed and removed by borohydride reduction. The single-laboratory validation (SLV) outlined in this document was performed on commercially available inulin (Raftiline) and agave fructan (Frutafit®), levan purified from Timothy grass, two grass samples, a sample of legume hay, two animal feeds and two barley flours, one of which (Barley MAX®) was genetically enriched in fructan through plant breeding. Parameters examined during the validation included working range, target selectivity, recovery, LOD, LOQ, trueness (bias), precision (repeatability and intermediate precision), robustness, and stability. The method is robust, quick, and simple.
Cultural education of the Hutsuls. Historical and contemporary contexts
Authors: Haratyk Anna
Published: January 2019

The Hutsuls – an ethnic highlander group inhabiting Eastern Carpathians in the Ukraine have constantly made efforts to organise cultural education of their young generations. Throughout the ages the level of involvement of families, local communities, professional circles, and schools in culture and education has varied. Until the second half of the 20th century the duty of forming cultural identity lay with families, as well as local communities and professional circles. The work of schools was made difficult by ideological and political factors. It was only in the 1990s that schools have become free to engage in the development of regional education. The curricula related to the Hutsul culture on the preschool level, as well as all the other levels of education, can serve as an example of the efforts that Hutsuls have made to preserve their culture and ethnic identity and to promote the traditions that they have shaped through the ages in their country as well as abroad.
Leisure Activities of Two Generations of Russians
Authors: Kupriyanov Boris
Published: January 2019

This article, based on the results of a sociological survey of parents of schoolchildren, presents detailed information on leisure activities of students of secondary schools and retrospective information about their parents’ own childhood leisure. The article sets out the structure of the students’ free time, the content of leisure activities, and particular leisure activities of students living in different types of settlements. The article pays special attention to differences in leisure activities based on economic status of the family and parents' education level.
Programmes of Supporting the Educational Needs of Romani Pupils in the Czech Republic
Authors: Gulová Lenka , Střelec Stanislav
Published: January 2019

This study presents relevant information collected during practical work and research findings related to forms of work with children, young people and adult members of the Romani ethnic group focusing on improving their educational attainment. The paper reflects selected findings obtained during the work of the Centre of Multicultural Education at the Department of Social Education at the Faculty of Education of Masaryk University in Brno over a period of more than ten years.
Wartime Physical Education and Military Preparation of Youths 1915–1918
Authors: Řeháček Karel
Published: January 2019

In the autumn of 1914, efforts to find a stable reserve of human resources necessary for conducting the war led the Austro-Hungarian authorities to initiate the preparation of youths to fulfil their future obligations towards the motherland. PE in schools underwent a transformation and military training for youths was organised not only in schools but also through various associations. Despite a whole series of problems, the military preparation of youths continued almost till the end of the war.
Cohabitation – the alternative life of dyad
Authors: Ładyżyński Andrzej
Published: January 2019

The article presents cohabitation as a substantial form of social life. It is characterized by the common life of two people without formalization of their relationship. It constitutes the phase preceding the marriage, it may occur between the marriages or replace them directly. Cohabitation becomes more and more popular due to its formula of lack of commitment. Despite of the various opinions on thus cohabitation, it constitutes a social phenomenon being more widely spread in a society encompassing with its span people of different age and status.
The Educational Role of the Journals of Social and Educational Associations in the Second Republic of Poland as Exemplified by “Citizen Work” of the Women’s Citizen Work Association
Authors: Piwowarczyk Mirosław
Published: January 2019

The organisational press, as exemplified by “Praca Obywatelska”, published by ZPOK, served a vital role from the point of view of the reborn state, its administration, and local government, as well as the expectations of broader social circles (particularly women) and political parties; it fulfilled the awakened demand and expectations of engaged women citizens in the areas of information on the political, social, economic, and cultural life of the country, its regions, and local communities. The press of women’s organisations defended the interests of women and facilitated the forming of their political, social, and economic beliefs. It was a tool of propaganda and political agitation in various local and central events; it popularised the ideologies and programmes of political parties and expressed the convictions of particular sections of public opinion, while bringing together clearly defined political and creative circles. This press also served to develop various social initiatives and fulfil the cultural needs of intellectuals, and it participated actively in the popularisation of interest in the country, regions, and local communities.
Metodología para el análisis de los documentos fotográficos a través de la información en los reversos de los soportes
Authors: Sánchez Vigil Juan Miguel Miguel
Published: January 2019

Desde la invención de la carte de visite por Disdéri en 1854 hasta los años treinta del siglo XX, las fotografías se presentaron montadas en soportes cuya función fue informativa y estética. Los datos contenidos en los reversos de dichos soportes constituyen una excepcional fuente desde los puntos de vista histórico, creativo, industrial y publicitario. Del análisis de la forma y fondo de los soportes (presentación, textos e ilustraciones) se obtienen referencias sobre diseño, formato, autor, localización, sistemas de trabajo, características de las galerías, especialidad y otras varias de interés. Es objeto de este artículo elaborar una metodología para el análisis de la información disponible en los reversos de los soportes de las fotografías, con el fin de obtener datos susceptibles de ser reutilizados. Se presenta como resultado de la aplicación del modelo una ficha normalizada compuesta por seis apartados y veintiún campos que permiten la recuperación de la información desde el análisis.
Marca personal en entornos académicos
Authors: González-Solar Llarina
Published: January 2019

En este estudio se abordan los conceptos de reputación y marca personal y su encaje en entornos académicos. Se propone un modelo de actuación para la construcción de marcas personales  de investigadores como guía metodológica que subraya la necesidad de reflexión y de definición de objetivos ante la participación en entornos de relación tanto online como offline. Se profundiza en las características específicas de los ecosistemas digitales académicos en relación con la creación de marcas personales y sus consecuencias. Finalmente, se reflexiona sobre el papel que las universidades y, dentro de ellas, las bibliotecas pueden tener en la creación de marcas personales como fórmula para actuar sobre su propia reputación institucional.
Análisis de los servicios en línea ofrecidos en los sitios web de las Bibliotecas Nacionales del continente americano
Authors: Muriel-Torrado Enrique , Morales-del-Castillo José Manuel
Published: January 2019

: Se analizan los sitios web de las 35 Bibliotecas Nacionales (BN) del continente americano, considerado tanto las principales características del propio sitio como los servicios en línea que se ofertan. Los servicios se han agrupado en categorías para facilitar el tratamiento estadístico de los datos. Los resultados resaltan la relevancia alcanzada por la Web como plataforma desde donde las BN pueden dar a conocer sus colecciones y acercarse a sus usuarios a través de los servicios en línea, pero también muestran las grandes diferencias que existen entre ellas en cuanto a las soluciones tecnológicas adoptadas y al abanico de servicios ofertados.
Motivos de aderência das idosas incontinentes após follow-up de 24 meses de treinamento muscular
Authors: Mazo Giovana Zarpellon , Capeletto Eduardo , Santos Keyla Mara , Pereira Franciele Silva , Menezes Enaiane Cristina , Virtuoso Janeisa Franck
Published: January 2019

Objetivo: investigar os motivos de aderência 24 meses após intervenção com treinamento dos musculos do assoalho pélvico (TMAP) com e sem musculação em idosas com incontinência urinária (IU).  Método: Após o follow-up de 24 meses das intervenções foram contatadas 23 idosas. Foram aplicados o International Consultation on Incontinence Questionnaire – Short Form(ICIQ-SF) para verificar a frequência e gravidade da IU e o Questionário de Motivos para a Prática do TMAP para descrever os motivos de aderência ao TMAP e a prática de exercícios físicos (AFR). Resultados: Após 24 meses do tratamento da IU por meio do TMAP com e sem a prática da musculação 30,4% (n=7) das idosas permaneceram continentes. A adesão ao TMAP foi de 52,2% (n=12) e ao AFR de 73,9% (n=17), após 24 meses da intervenção. O motivo para a prática do TMAP foi a prevenção da IU. Para a AFR, o principal motivo foi a melhora da saúde geral. Conclusão: Sugerem-se novos estudos que utilizem estratégias para facilitar a adesão ao tratamento, num período longo de seguimento
Caracterização do Bullying entre escolares: uma pesquisa realizada no município de Anta Gorda - RS
Authors: Mayer Sandra Mara , Borniatti Letícia , Elesbão Heloisa , Borfe Leticia
Published: January 2019

O presente estudo caracteriza-se por ser um estudo descritivo exploratório que teve comoobjetivo verificar o perfil dos alunos do 6º ao 9º ano de duas escolas da rede pública e privada no município de Anta Gorda- RS que são alvos do bullying, bem como identificar as formas e locais onde ocorrem as agressões.A amostra foi composta por 257 alunos, com idade entre 11 e 17 anos, estudantes de duas escolas do município de Anta Gorda- RS. Para a coleta de resultados foi utilizado um questionário, composto por quatro blocos, o primeiro bloco contém perguntas que visam identificar a idade, sexo, ano que estuda. Nos blocos restantes encontram-se perguntas com alternativas, direcionadas ao bullying, elas questionam se o sujeito já sofreu bullying, como ocorreu e o local da agressão. A análise estatística foi realizada através do programa SPSS v. 23.0, considerando um nível de significância de p<0.05. Os resultados indicaram frequência significativamente maior (p=0.049) de agressões na escola pública, tendo como principal forma de agressão a verbal. O local em que ocorreram as agressões diferiu entre as escolas. O presente estudo identificou índice consideravelmente
We demand compromise: which achieves more, asking for small or large changes?
Authors: Appleby MC
Published: January 2019

Welfare is the state of an animal on a continuum, from poor to good, so many decisions about it are decisions of degree, such as how much feed, space or environmental enrichment should be provided. Other decisions are more discrete, such as whether animals should be kept in cages. However, in practice, many such decisions also involve a range of possibilities — such as whether laying hens should be kept in conventional cages, furnished cages, other housed systems or free range — so that decisions within the range are also of degree. Furthermore, in broader contexts, such as husbandry standards for farm animals, decisions are needed as to how many criteria are to be addressed, which are also decisions of degree. Similarly, decisions about which species to protect and from how early in individual development they need protection are to some extent categorical. This is sometimes referred to as ‘line drawing.’ However, this mainly refers to whether or not animals are sentient, and sentience is not clearly distinguished from other aspects of animals’ cognition and responses, so there is no conclusive boundary between ‘haves’ and ‘have nots.’ So, these decisions are also of degree: is there sufficient evidence to ‘move the line’ further? When there are pressures against change, such as financial cost, should welfare advocates ask for small or large changes? The answer to this question will depend upon circumstances. But discussion of different circumstances suggests that compromise, realism, gradualism and pragmatism are all important in achieving improvements in animal welfare, while noting that other tactics also contribute in particular contexts.
How best to improve farm animal welfare? Four main approaches viewed from an economic perspective
Authors: Christensen T , Denver S , Sandøe P
Published: January 2019

Looking at the issues from an economic perspective, we examine four approaches to the improvement of farm animal welfare: legislative initiatives, and initiatives driven by producers, consumer choice (labelling), and food companies (Corporate Social Responsibility; CSR). We take as our starting point the assumption that to obtain the best possible improvements in animal welfare, a combination of all four approaches will be needed. The main focus of the paper is to show that (and how) economics and other social sciences can play an important role in determining how to design and implement these approaches most effectively. We argue that insights from animal welfare science on what constitutes an improvement in animal welfare, and how such improvements are best measured, are a necessary input to the economic analyses. Economic analyses can guide the form and extent of welfare legislation so as to set decent minimum standards of animal welfare. To exploit producer-driven animal welfare opportunities, understanding the relationship between animal welfare, productivity and other product or production characteristics is essential. To make best use of initiatives driven by consumer choice and CSR, the focus needs to be on, not simply aspects of animal welfare for which consumers are known to be willing to pay, but also other welfare dimensions viewed as essential by animal welfare experts. Finally, recent, rapid developments in the marketing of animal welfare-friendly products have demonstrated the need for more knowledge about the ways in which consumers perceive the different kinds of information used in labels and CSR strategies.
La Responsabilidad Social Universitaria como estrategia de marketing en la universidad
Authors: López-Aza Carlota , Vázquez José Luis , Lanero Ana
Published: January 2019

This study aims to analyze the effects of students’ perception on university social responsibility (USR) on their experiences of perceived quality of service and satisfaction, as well as to know if the USR could be an antecedent that harmonizes the university marketing strategy with the student’s expectations. Using as a reference the four impacts-based model, it was hypothesized that assessment of those university impacts would have a positive effect on students’ global perception of USR, which in turn would affect positively the dimensions of perceived quality and satisfaction. The empirical research consisted in a survey to a sample of students within Sciences and Techniques at the University of León. Data was analyzed with exploratory factor analysis and structural equations modelling with the partial least squares (PLS) technique. Results identified six factors in the student perception of the university impacts, although only three of these (environmental-educational impact, organizational impact and social impact) affected the student’s global perception on URS. Similarly, a positive effect of students’ USR global perception on their experiences of quality of service and satisfaction was found. The results of the study support the competitive advantage that USR represents as an instrument to improve the university experience, and have important implications for the design of marketing strategies to attract and retain students in higher education contexts.
Structural basis of Ca2+-dependent activation and lipid transport by a TMEM16 scramblase
Authors: Falzone Maria E , Rheinberger Jan , Lee Byoung-Cheol , Peyear Thasin , Sasset Linda , Raczkowski Ashleigh M , Eng Edward T , Di Lorenzo Annarita , Andersen Olaf S , Nimigean Crina M , Accardi Alessio
Published: January 2019

The lipid distribution of plasma membranes of eukaryotic cells is asymmetric and phospholipid scramblases disrupt this asymmetry by mediating the rapid, nonselective transport of lipids down their concentration gradients. As a result, phosphatidylserine is exposed to the outer leaflet of membrane, an important step in extracellular signaling networks controlling processes such as apoptosis, blood coagulation, membrane fusion and repair. Several TMEM16 family members have been identified as Ca2+-activated scramblases, but the mechanisms underlying their Ca2+-dependent gating and their effects on the surrounding lipid bilayer remain poorly understood. Here, we describe three high-resolution cryo-electron microscopy structures of a fungal scramblase from Aspergillus fumigatus, afTMEM16, reconstituted in lipid nanodiscs. These structures reveal that Ca2+-dependent activation of the scramblase entails global rearrangement of the transmembrane and cytosolic domains. These structures, together with functional experiments, suggest that activation of the protein thins the membrane near the transport pathway to facilitate rapid transbilayer lipid movement.
Recognition of species groups ofNaupactusDejean (Coleoptera: Curculionidae) from Argentina and neighboring countries
Authors: del Río María G. , Lanteri Analía A.
Published: January 2019

NaupactusDejean is the most diverse genus of the tribe Naupactini (Curculionidae: Entiminae), with more than 200 species occurring in South America, of which about 40 range in Argentina and neighboring countries. The Argentinean species treated herein were classified into nine groups having different biogeographic patterns: (1) the groups ofNaupactus xanthographus,N. delicatulusandN. auricinctusmainly occur in northeastern Argentina (Misiones province) and reach the highest species diversity in the Atlantic and Parana forests of Brazil; (2) the groups ofN. hirtellus,N. cinereidorsum,N. rivulosusandN. tarsalisshow the highest species diversity in the Chacoan biogeographic province and also occur in the Yungas, Espinal, Monte, Parana forest (Argentina) and Cerrado (Brazil); (3) the groups ofN. leucolomaandN. purpureoviolaceushave the highest species diversity in the Pampean biogeographic province, being also present in adjoining areas, mainly Chaco, Espinal, Monte and Parana forest. We provide descriptions, a dichotomous key, habitus photographs and line drawings of genitalia for the identification of the nine species groups, and a list of the Argentinean species from each group, together with their abbreviated synonymies, updated geographic distributions (including six new country records and several state/province records) and host plant associations. We discuss the characters that allow the separation of the species groups in a geographic distribution context, and provide information on species reassigned to genera other thanNaupactus;among these, we transferredN. cephalotes(Hustache) to the tribe Tanymecini, genusEurymetopellus, establishing the new combinationEurymetopellus cephalotes.
Nonfullerene Small‐Molecule Acceptors for Organic Photovoltaics: Understanding the Impact of Methoxy Substitution Position on Molecular Packing and Electron‐Transfer Properties
Authors: Wang Tonghui , Brédas Jean‐Luc
Published: January 2019

Nonfullerene small‐molecule acceptors (SMAs) are considered as a key component of next‐generation organic photovoltaics. Introducing functional groups to the end‐groups of “acceptor‐donor‐acceptor”‐type SMAs is a facile and convenient way to tune their optoelectronic and morphological properties. Here, molecular dynamics simulations are combined with long‐range corrected density functional theory calculations to explore the molecular‐scale impact that the position of methoxy substitution in the end‐group has on the molecular packing and electron‐transfer properties in neat films. The focus here is on 3,9‐bis(2‐methylene‐(3‐(1,1‐dicyanomethylene)‐indanone))‐5,5,11,11‐tetrakis(4‐hexylphenyl)‐dithieno [2,3‐d:2′,3′‐d′]‐s‐indaceno[1,2‐b:5,6‐b′]dithiophene (IT‐OM), where three end‐group methoxy substitution positions are evaluated. Changing the methoxy substitution position is found to influence, to different extents, the planarity of the end‐groups and thus the intermolecular packing density. The effect on the intermolecular electron‐transfer rates is also examined and leads to markedly different sizes of strongly interconnected clusters. Overall, these findings are fully consistent with the experimental evolution of electron mobility in the neat IT‐OM film as a function of methoxy substitution position.
Carbon‐Based Metal‐Free Catalysts for Electrocatalytic Reduction of Nitrogen for Synthesis of Ammonia at Ambient Conditions
Authors: Zhao Shenlong , Lu Xunyu , Wang Lianzhou , Gale Julian , Amal Rose
Published: January 2019

The electrocatalytic nitrogen reduction reaction (NRR) is a promising catalytic system for N2 fixation in ambient conditions. Currently, metal‐based catalysts are the most widely studied catalysts for electrocatalytic NRR. Unfortunately, the low selectivity and poor resistance to acids and bases, and the low Faradaic efficiency, production rate, and stability of metal‐based catalysts for NRR make them uncompetitive for the synthesis of ammonia in comparison to the industrial Haber–Bosch process. Inspired by applications of carbon‐based metal‐free catalysts (CMFCs) for the oxygen reduction reaction (ORR) and CO2 reduction reaction (CO2RR), the studies of these CMFCs in electrocatalytic NRR have attracted great attention in the past year. However, due to the differences in electrocatalytic NRR, there are several critical issues that need to be addressed in order to achieve rational design of advanced carbon‐based metal‐free electrocatalysts to improve activity, selectivity, and stability for NRR. Herein, the recent developments in the field of carbon‐based metal‐free NRR catalysts are presented, along with critical issues, challenges, and perspectives concerning metal‐free catalysts for electrocatalytic reduction of nitrogen for synthesis of ammonia at ambient conditions.
Strain Engineering of 2D Materials: Issues and Opportunities at the Interface
Authors: Dai Zhaohe , Liu Luqi , Zhang Zhong
Published: January 2019

Triggered by the growing needs of developing semiconductor devices at ever‐decreasing scales, strain engineering of 2D materials has recently seen a surge of interest. The goal of this principle is to exploit mechanical strain to tune the electronic and photonic performance of 2D materials and to ultimately achieve high‐performance 2D‐material‐based devices. Although strain engineering has been well studied for traditional semiconductor materials and is now routinely used in their manufacturing, recent experiments on strain engineering of 2D materials have shown new opportunities for fundamental physics and exciting applications, along with new challenges, due to the atomic nature of 2D materials. Here, recent advances in the application of mechanical strain into 2D materials are reviewed. These developments are categorized by the deformation modes of the 2D material–substrate system: in‐plane mode and out‐of‐plane mode. Recent state‐of‐the‐art characterization of the interface mechanics for these 2D material–substrate systems is also summarized. These advances highlight how the strain or strain‐coupled applications of 2D materials rely on the interfacial properties, essentially shear and adhesion, and finally offer direct guidelines for deterministic design of mechanical strains into 2D materials for ultrathin semiconductor applications.
Enhancement of Anatomical Education Using Augmented Reality: An Empirical Study of Body Painting
Authors: Barmaki Roghayeh , Yu Kevin , Pearlman Rebecca , Shingles Richard , Bork Felix , Osgood Greg M. , Navab Nassir
Published: January 2019

Students in undergraduate premedical anatomy courses may experience suboptimal and superficial learning experiences due to large class sizes, passive lecture styles, and difficult‐to‐master concepts. This study introduces an innovative, hands‐on activity for human musculoskeletal system education with the aim of improving students’ level of engagement and knowledge retention. In this study, a collaborative learning intervention using the REFLECT (augmented reality for learning clinical anatomy) system is presented. The system uses the augmented reality magic mirror paradigm to superimpose anatomical visualizations over the user’s body in a large display, creating the impression that she sees the relevant anatomic illustrations inside her own body. The efficacy of this proposed system was evaluated in a large‐scale controlled study, using a team‐based muscle painting activity among undergraduate premedical students (n = 288) at the Johns Hopkins University. The baseline knowledge and post‐intervention knowledge of the students were measured before and after the painting activity according to their assigned groups in the study. The results from knowledge tests and additional collected data demonstrate that the proposed interactive system enhanced learning of the musculoskeletal system with improved knowledge retention (F(10,133) = 3.14, P < 0.001), increased time on task (F(1,275) = 5.70, P < 0.01), and a high level of engagement (F(9,273) = 8.28, P < 0.0001). The proposed REFLECT system will be of benefit as a complementary anatomy learning tool for students.
Modulation of callus growth and secondary metabolites in different Thymus species and Zataria multiflora micropropagated under ZnO nanoparticles stress
Authors: Mosavat Nima , Golkar Pooran , Yousefifard Maryam , Javed Rabia
Published: January 2019

Thymus species are aromatic plants with diverse applications in food industries and medicine. This study was conducted to evaluate the potential effect of ZnO nanoparticles (NPs) on callus proliferation and thymol and carvacrol production in three Thymus species, that is, T. vulgaris, T. daenensis, and T. kotschyanus, and Zataria multiflora. For this purpose, callus induction was performed on Murashige and Skoog (MS) medium containing different plant growth regulators (PGRs). After optimization of callus growth, the effects of different concentrations of ZnO NPs (100 and 150 mg L−1) were investigated. MS containing 2 mg L−1 of 2, 4‐dichlorophenoxy acetic acid (2,4‐D) and 1 mg L−1 of kinetin (Kin) revealed significantly highest fresh weight (0.18 g) of callus in T. kotschyanus. Callus growth rate (0.079 mm day−1) was found highest in T. vulgaris under similar conditions. Moreover, highest callus induction (92.50%) was achieved by T. kotschyanus in MS containing 2.5 mg L−1 of 2,4‐D. Regarding the highest content of thymol (22.8 mg L−1) and carvacrol (0.68 mg L−1) evaluated by high‐performance liquid chromatography, best results were achieved under 150 mg L−1 of ZnO NPs in T. kotschyanus and T. daenesis, respectively. This is simple and cost‐effective method to be applied on industrial level for production of enhanced secondary metabolites content.
Influence of the level of sacrectomy on survival in patients with locally advanced and recurrent rectal cancer
Authors: Lau Y C , Jongerius K , Wakeman C , Heriot A G , Solomon M J , Sagar P M , Tekkis P P , Frizelle F A
Published: January 2019

Background

Exenterative surgery for locally advanced rectal cancer may involve partial sacrectomy to achieve complete resection. High sacrectomy is technically challenging, and can be associated with high morbidity and mortality rates. The aim of this study was to determine the influence of the level of sacrectomy on the survival of patients with locally advanced rectal cancer.

Methods

This was an international multicentre retrospective analysis of patients undergoing exenterative abdominosacrectomy between July 2006 and June 2016. High sacrectomy was defined as resection at or above the junction of S2–S3; low sacrectomy was below the S2–S3 junction. Kaplan–Meier survival analysis was used to assess overall survival and cancer-specific survival. Predictive factors were determined using Cox regression analysis.

Results

A total of 345 patients were identified, of whom 91 underwent high sacrectomy and 254 low sacrectomy. There was no difference in 5-year overall survival (53 versus 44·1 per cent; P = 0·216) or cancer-specific survival (60 versus 56·1 per cent; P = 0·526) between high and low sacrectomy. Negative margin rates were similar for primary and recurrent disease: 65 of 90 (72 per cent) versus 97 of 153 (63·4 per cent) (P = 0·143). Level of sacrectomy was not a significant predictor of mortality (P = 0·053). Positive resection margin and advancing age were the only significant predictors for death, with hazard ratios of 2·78 (P < 0·001) and 1·02 (P = 0·020) respectively.

Conclusion

There was no survival difference between patients who underwent high or low sacrectomy. In appropriately selected patients, high sacrectomy is feasible and safe.
Reactions of D2 with 1,4‐Bis(diphenylphosphino) butane‐Stabilized Metal Nanoparticles‐A Combined Gas‐phase NMR, GC‐MS and Solid‐state NMR Study
Authors: Rothermel Niels , Röther Tobias , Ayvalı Tuğçe , Martínez‐Prieto Luis M. , Philippot Karine , Limbach Hans‐Heinrich , Chaudret Bruno , Gutmann Torsten , Buntkowsky Gerd
Published: January 2019

The reactions of three metal nanoparticle (MNP) systems Ru/dppb, RuPt/dppb, Pt/dppb (dppb=1,4‐bis(diphenylphosphino)butane) with gaseous D2 at room temperature and different gas pressures have been studied using 1H gas phase NMR, GC‐MS and solid state 13C and 31P MAS NMR. The main product is gaseous HD arising from the reaction of D2 with surface hydrogen sites created during the synthesis of the nanoparticles. In a side reaction, some of the dppb ligands are decomposed producing surface phosphorus species and gaseous partially deuterated butane and cyclohexane. These findings are fundamental for detailed studies of the reaction kinetics of these particles towards H2 or D2 gas.
A semi‐active human digital twin model for detecting severity of carotid stenoses from head vibration—A coupled computational mechanics and computer vision method
Authors: Chakshu Neeraj Kavan , Carson Jason , Sazonov Igor , Nithiarasu Perumal
Published: January 2019

In this work, we propose a methodology to detect the severity of carotid stenosis from a video of a human face with the help of a coupled blood flow and head vibration model. This semi‐active digital twin model is an attempt to link noninvasive video of a patient face to the percentage of carotid occlusion. The pulsatile nature of blood flow through the carotid arteries induces a subtle head vibration. This vibration is a potential indicator of carotid stenosis severity, and it is exploited in the present study. A head vibration model has been proposed in the present work that is linked to the forces generated by blood flow with or without occlusion. The model is used to generate a large number of virtual head vibration data for different degrees of occlusion. In order to determine the in vivo head vibration, a computer vision algorithm is adopted to use human face videos. The in vivo vibrations are compared against the virtual vibration data generated from the coupled computational blood flow/vibration model. A comparison of the in vivo vibration is made against the virtual data to find the best fit between in vivo and virtual data. The preliminary results on healthy subjects and a patient clearly indicate that the model is accurate and it possesses the potential for detecting approximate severity of carotid artery stenoses.
A Phase 1b Trial to Assess the Pharmacokinetics of Ezutromid in Pediatric Duchenne Muscular Dystrophy Patients on a Balanced Diet
Authors: Muntoni Francesco , Tejura Bina , Spinty Stefan , Roper Helen , Hughes Imelda , Layton Gary , Davies Kay E. , Harriman Shawn , Tinsley Jonathon
Published: January 2019

Ezutromid (SMT C1100) is a small‐molecule utrophin modulator that was developed to treat Duchenne muscular dystrophy (DMD). Previous clinical trials of this agent revealed lower exposure in DMD patients compared with healthy volunteers, which may reflect differences in diet. This study evaluated the pharmacokinetics of ezutromid in patients with DMD who followed a balanced diet. This was a multicenter, double‐blind, placebo‐controlled, ascending single and multiple oral dose study. Twelve pediatric patients were randomly allocated to 1 of 3 treatment sequences within which were 3 treatment periods of 2 weeks each. Each patient received, in a dose‐escalating fashion, 1250 mg and 2500 mg twice daily (BID) of ezutromid administered orally as a microfluidized suspension (F3) with placebo in the other treatment period. Throughout the study, patients followed a balanced diet including recommended proportions of major food groups and administration of drug accompanied with 100 mL of full‐fat milk. This approach improved the absorption of ezutromid, resulting in higher systemic exposure, with considerable variability in exposure between patients at each dose level. Single and multiple oral doses of 1250 mg and 2500 mg BID were considered safe and well tolerated. No severe or serious adverse events and no study discontinuations due to adverse events were reported. This study provides assurance that, with the formulation tested (F3) and instructions regarding food (balanced diet and whole‐fat milk), 2500 mg BID of ezutromid achieves plasma concentrations that, based on preclinical studies, should be able to modulate utrophin expression in future clinical trials.
Clinical Aspects of Transporter‐Mediated Drug–Drug Interactions
Authors: Gessner Arne , König Jörg , Fromm Martin F.
Published: January 2019

Drug transporters play an essential role in disposition and effects of multiple drugs. Plasma concentrations of the victim drug can be modified by drug–drug interactions occurring in enterocytes (e.g., P‐glycoprotein), hepatocytes (e.g., organic anion‐transporting polypeptide 1B1 (OATP1B1)), and/or renal proximal tubular cells (e.g., organic cation transporter 2 (OCT2)/multidrug and toxin extrusion 1 and 2‐K (MATE1/MATE2‐K)). In addition, transporter‐mediated drug–drug interactions can cause altered local tissue concentrations and possibly altered effects/toxicity (e.g., in liver and kidneys). During drug development, there is now an intensive in vitro screening of new molecular entities as transporter substrates and inhibitors, followed if necessary by drug–drug interaction studies in healthy volunteers. Nevertheless, there are still unresolved issues, which will also be discussed in this review article (e.g., the clinical significance of transporter‐mediated drug–drug interactions of particular relevance to the elderly who are prescribed multiple drugs, with additional impaired liver or kidney function, and the extent to which medication safety in real life could be improved by a reduction of those interactions).
Innovation for Generic Drugs: Science and Research Under the Generic Drug User Fee Amendments of 2012
Authors: Lionberger Robert A.
Published: January 2019

Regulatory science is science and research intended to improve decision making in a regulatory framework. Improvements in decision making can be in both accuracy (making better decisions) and in efficiency (making faster decisions). Science and research supported by the Generic Drug User Fee Amendments of 2012 (GDUFA) have focused on two innovative methodologies that work together to enable new approaches to development and review of generic drugs: quantitative models and advanced in vitro product characterization. Quantitative models faithfully represent current scientific understanding. They are tools pharmaceutical scientists and clinical pharmacologists use for making better and faster product development decisions. Advances in the in vitro product comparisons provide the measurements of product differences that are the critical input into the models. This paper outlines four areas where science and research funded by GDUFA support synergistic use of models and characterization at critical decision points during generic drug product development and review.
Needs and Gaps for Catalysis in Addressing Transitions in Chemistry and Energy from a Sustainability Perspective
Authors: Centi Gabriele , Čejka Jiří
Published: January 2019

Catalysis is undergoing a major transition resulting from significant changes in chemical and energy production. To honor the 50th anniversary of establishing the Jerzy Haber Institute of Catalysis and Surface Chemistry, this Essay discusses, from a forward‐looking, personal and somewhat provocative perspective, the needs and gaps of catalysis to address the ongoing transition in chemistry and energy from a sustainability perspective. The focus is on a few selected aspects identified as crucial: i) The precise synthesis of catalytic materials, particularly focusing on mesoporous molecular sieves, metal–organic frameworks, and zeolites (particularly two‐dimensional type); ii) advanced catalyst characterization methods; iii) new concepts and approaches needed in catalysis to meet the demands of a field of energy and chemistry in transition.