bluuebunny/crossref_metadata_2025 huggingface dataset:
Raising Children
Authors: Cabezas Hernández María del Mar ,   Philosophy Documentation Center
Published: August 2019

This article aims to answer a core normative question concerning child poverty: What types of responsibilities should be assumed by the state and caregivers as the main agents of justice involved in the problem? By approaching this question, I aim to explore the complex triangulation between children, caregivers, and the state, as well as the paradox of the double role of caregivers as former victims and current agents of justice. In order to accomplish this, I will first present the internal and external issues that arise when the focus is placed on the victims, and, secondly, when attention shifts to the perpetrators. Finally, I will advocate for the need to fundamentally reframe the debates, centering attention on the damage, on investing the construction of a culture of care that includes preventive measures to dismantle common prejudices about poverty and neglect, and on introducing measures to care for the caregivers as a necessary step to break the perpetuation of (child) poverty.
Practical Molecular Testing in a Clinical Genitourinary Service
Authors: Magers Martin J. , Cheng Liang
Published: August 2019

Context.—

Molecular testing is increasingly playing a key role in the diagnosis, prognosis, and treatment of neoplasms of the genitourinary system.

Objective.—

To provide a general overview of the clinically relevant molecular tests available for neoplasms of the genitourinary tract.

Data Sources.—

Relevant medical literature indexed on PubMed.

Conclusions.—

Understanding of the molecular oncology of genitourinary neoplasms is rapidly advancing, and the pathologist must be aware of the practical implications of molecular testing. While many genomic abnormalities are not yet clinically relevant, there is an increasing library of ancillary tests that may guide diagnosis, prognosis, and/or treatment of many neoplasms. Recurrent genomic abnormalities have been identified in many types of renal cell carcinoma, and some types of renal cell carcinoma are specifically defined by the molecular abnormality. Two major routes of developing urothelial carcinoma have been molecularly described. Recurrent translocations involving ETS family genes are found in approximately half of prostate cancer cases. Testicular germ cell tumors typically harbor i(12p). Penile neoplasms are often high-risk human papillomavirus–driven cancers. Nonetheless, even as genitourinary neoplasms are increasingly better understood at the molecular level, further research with eventual clinical validation is needed for optimal diagnosis, prognosis, and treatment of aggressive malignancies in the genitourinary tract.
Breast Cancer Biomarkers: Challenges in Routine Estrogen Receptor, Progesterone Receptor, and HER2/neu Evaluation
Authors: Jorns Julie M.
Published: August 2019

Context.—

Evaluation of estrogen receptor (ER), progesterone receptor (PR), and HER2/neu (HER2) biomarkers is standard of care for all cases of newly diagnosed invasive, recurrent, and metastatic breast cancer. Repeat analysis is also performed in select cases per College of American Pathologists/American Society of Clinical Oncology guidelines and other clinical indications. However, in specific scenarios, preanalytic and analytic variables may pose distinct challenges to testing.

Objective.—

To provide a review of select challenges in the testing of commonly performed breast cancer biomarkers ER, PR, and HER2 and outline best practices for overcoming these challenges.

Data Sources.—

Review of College of American Pathologists/American Society of Clinical Oncology recommendations, current literature, and personal experience of the author.

Conclusions.—

Attention must be given to specimen handling to ensure accurate ER, PR, and HER2 biomarker assessment and appropriate management of breast cancer patients.
Marcas do Desterro. Moçambicanos deportados para São Tomé e Príncipe (1947-1961): história, estórias, atualidade
Authors: Bussotti Luca , Martins Teodora
Published: August 2019

Durante o colonialismo português, centenas de pessoas foram deportadas das colónias lusitanas africanas para São Tomé e Príncipe. A partir do século XIX, com a inserção de Portugal na economia internacional como país fornecedor de matéria-prima, periférico e dependente, a modalidade de abastecimento humano da colónia de produção de São Tomé e Príncipe ocorreu mediante o trabalho forçado, formalmente alternativo à escravatura, que já não era permitida. O artigo aqui apresentado pretende ilustrar os mecanismos que fizeram com que esta migração forçada se tornasse possível, até ao início dos anos sessenta do século XX, concentrando a análise no caso moçambicano. A pesquisa adotou uma abordagem histórica, na primeira parte, e uma antropológica e etnográfica na segunda, com entrevistas junto a alguns dos antigos trabalhadores moçambicanos deportados em São Tomé e Príncipe, a alguns repatriados em Moçambique e a testemunhas-chave dos dois lados. A investigação revelou uma realidade histórica – a do desterro - ainda muito pouco conhecida, juntamente com uma situação atual ignorada por parte quer do Estado moçambicano, quer do português. Este último ainda não assumiu a responsabilidade histórica das graves violações dos direitos humanos mais básicos destes deportados, ao passo que o primeiro nada fez, até agora, para aliviar a condição existencial destes seus cidadãos, hoje muito velhos e pobres e completamente dependentes da assistência humanitária.Palavras-chave: Colonialismo. Trabalho forçado. Independência. Abandono.
Ocena funkcjonowania gospodarstw z obszarów o dużych walorach przyrodniczych na tle gospodarstw pozostałych w województwie opolskim = Evaluation of farms from areas with high natural values in relation to other farms in the Opolskie Voivodeship
Authors: Zieliński Marek
Published: August 2019

The aim of this paper was a comparative assessment of a production potential, organization, economic status and investment ability of two groups of farms from the Opolskie Voivodeship by implementing the Polish Farm Accountancy Data Network (Polish FADN) in 2015. The first group consisted of farms located in municipalities with high level of natural values and the second group comprised farms from other municipalities. Areas with high level of natural values were considered those, in which index of natural and tourist quality established by the Institute of Soil Science and Plant Cultivation Institute was equal to or greater than the national average (at least 35.6% per 100% possible to achieve). The analysis employed data from farms conducting accountancy for the Polish FADN in 2015 and from the Institute of Soil Science and Plant Cultivation – State Research Institute.
Podstawowe determinanty jakości życia mieszkańców wsi i miast po akcesji Polski do Unii Europejskiej = Basic determinants of rural and urban inhabitants’ life quality after Poland’s accession to the European Union
Authors: Chmielewska Barbara , Zegar Józef Stanisław
Published: August 2019

The purpose of the study is to assess changes concerning main determinants of rural and urban inhabitants’ life quality in the period after Poland’s accession to the European Union (years 2006–2017). The study was conducted basing on results of the European Survey on Income and Living Conditions (EU-SILC) and household budgets of the Central Statistical Office of Poland. Assessment of rural population’s life quality was based on indicators characterizing the unbiased living conditions (income, expenses, infrastructure, environment, housing and furnishings) as well as subjective evaluation. However, in assessing the life quality, environmental and climatic advantages of rural areas were not taken into account. Basic indicators relate to individuals or households. Life quality in rural areas is lower than in urban ones, which is primarily due to inferior income of rural residents. Furthermore, the level of expenditure is lower, mainly regarding high rank needs. Rural areas are characterized by lower equipment in basic technical infrastructure and durable – especially modern goods – in comparison to urban areas. Inhabitants of rural areas subjectively assess their life quality to be worse than the urban population. They also believe that possibility of satisfying their needs is lower than in cities.
Efekty PROW 2007–2013 w zakresie różnicowania gospodarki wiejskiej w Polsce = Effects of the 2007–2013 RDP in the scope of rural economy diversification in Poland
Authors: Wojewódzka-Wiewiórska Agnieszka
Published: August 2019

The subject matter of this article is the 2007–2013 Rural Development Programme (RDP) and its importance in the field of diversification of economy in the rural areas in Poland. The aim of the study is to indicate the effects of the RDP in the diversification of the rural economy by determining the size of public expenditure by axes and directions of spending resources on a regional and local level. The number of new jobs created and the type of activity supported were determined. Regional and local differences in the allocation of public funds were identified. The significance of the Leader approach in establishing new non-agricultural jobs in rural areas was generally inconsiderable. Financial support under the Programme was granted to 15,277 rural micro-enterprises, mainly dealing with services for the population; enterprises already existing on the market prevailed. In total, 28,585 permanent jobs were established. However, the assumptions of the Programme in relation to the generated number of jobs have not been fully implemented.
Wykorzystanie zasobów baz danych GIS na potrzeby analizy zróżnicowania obszarów wiejskich w aspekcie działań PROW = Application of GIS databases for the analysis of rural areas diversity in the aspect of Rural Development Programme
Authors: Wiatkowska Barbara , Słodczyk Janusz
Published: August 2019

A considerable number of measures taken under the Rural Development Programme have to be objectively and reasonably justified. These stem from strategic administrative decisions based on the results of analyses of complex natural, economic and demographic processes occurring in rural areas in time and space. Due to increasing functionality of the Geographical Information System (GIS) and wider availability of spatial information, the GIS databases and geospatial analyses are now the basis for solving spatial problems in the implementation of the Rural Development Programme. The aim of the study was to identify the features of rural areas in the Dolnośląskie Voivodeship (Lower Silesia Province) based upon selected components. For this purpose digital databases were employed. These are particularly relevant for sensible and sustainable rural development. With the use of the Corine Land Cover (CLC) database, the analysis concerning diversification of land cover and land use in the rural areas of the Dolnośląskie Voivodeship was carried out. Basing on the Digital Elevation Model (DEM), the terrain relief and land slopes were examined. By the means of soil and agriculture database, the analysis of spatial diversification of soil suitability was also performed. Moreover, with the use of the Polish Central Statistical Office databases, the spatial diversification of selected economic and demographic components in the analyzed area was evaluated. The analyses provide geo-visualizations, i.e. digital models presenting high spatial diversification of rural areas of the Dolnośląskie Voivodeship. The spatial diversification results from the high physiographic variability of this area. It should be stressed that the models are very practical and essential for the Rural Development Programme to be implemented by the authorities responsible for protection and rural development.
Prevención y responsabilidad social para construir excelencia
Authors: Bestratén Belloví Manuel
Published: August 2019

Se aportan una serie de reflexiones derivadas de los últimos estudios que viene realizando el Instituto Nacional de Seguridad e Higiene en el Trabajo (INSHT) en una muestra de más de sesenta empresas excelentes y dirigidos por el redactor de este artículo, sobre la vinculación de la PRL a la política de responsabilidad social, y cómo ello contribuye a consolidar sus éxitos.
La gestión de la seguridad vial según la Norma ISO 39001
Authors: Sánchez-Toledo Ledesma Agustín , Baraza Sánchez Xavier
Published: August 2019

La seguridad vial (road traffic safety –RTS–) es una preocupación global. Se estima que cada año, en las vías públicas del mundo, alrededor de 1,3 millones de personas fallecen y entre 20 y 50 millones sufren lesiones, y que esta cifra aumenta. En este sentido, la Norma ISO 39001, que se analiza en el presente artículo, suministra una herramienta que permite ayudar a las organizaciones a reducir, y en última instancia eliminar, la incidencia y riesgo de las muertes y heridas graves derivadas de los accidentes de tráfico.
Natural selection and repeated patterns of molecular evolution following allopatric divergence
Authors: Dong Yibo , Chen Shichao , Cheng Shifeng , Zhou Wenbin , Ma Qing , Chen Zhiduan , Fu Cheng-Xin , Liu Xin , Zhao Yun-peng , Soltis Pamela S , Wong Gane Ka-Shu , Soltis Douglas E , Xiang Qiu-Yun(Jenny)
Published: August 2019

Although geographic isolation is a leading driver of speciation, the tempo and pattern of divergence at the genomic level remain unclear. We examine genome-wide divergence of putatively single-copy orthologous genes (POGs) in 20 allopatric species/variety pairs from diverse angiosperm clades, with 16 pairs reflecting the classic eastern Asia-eastern North America floristic disjunction. In each pair, >90% of POGs are under purifying selection, and <10% are under positive selection. A set of POGs are under strong positive selection, 14 of which are shared by 10–15 pairs, and one shared by all pairs; 15 POGs are annotated to biological processes responding to various stimuli. The relative abundance of POGs under different selective forces exhibits a repeated pattern among pairs despite an ~10 million-year difference in divergence time. Species divergence times are positively correlated with abundance of POGs under moderate purifying selection, but negatively correlated with abundance of POGs under strong purifying selection.
Mobility Justice, Phenomenology and Gender
Authors: Iqbal Sana ,   Philosophy Documentation Center
Published: August 2019

Karachi is considered the economic hub of Pakistan, but it lacks a systematized public transport service. Although the demand-supply gap in the transport sector and the poor quality of this deregulated service affects everyone, it wreaks havoc for women, manifesting in the form of social exclusion. Men can benefit from alternative, (and sometimes cheaper) private modes of transport such as motorbikes, which are socially discouraged for women, making them dependent on their male counterparts. Despite the seriousness of this issue, there is little literature showing how women are differentially deprived of their agency due to gender disparity in society. To better understand this issue, the aim of this paper is to study the cultural foundations of transport poverty to assess their impact on women’s life opportunities. For this purpose, the experiences of women while using public transport have been analysed. The study has identified a variety of reasons why women curtail their mobility. It concludes that the social exclusion of women motivates a greater concern for their freedom of movement and that their needs be adequately reflected in transportation policies.
Physiological and immunological responses of sea cucumber Apostichopus japonicus during desiccation and subsequent resubmersion
Authors: Hou Shiying , Jin Zewei , Jiang Wenwen , Chi Liang , Xia Bin , Chen Jinghua
Published: August 2019

Desiccation is one of the extremely stressful situations experienced by aquatic animals, and sea cucumber usually suffers from desiccation stress during transportation without water. The present study was conducted to evaluate the effect of desiccation and subsequent resubmersion on physiological stress, oxidative damage, antioxidant status and non-specific immune response of Apostichopus japonicus, providing valuable information on the health management of sea cucumber culturing. Control and desiccation groups were set up, and each group has three replicates. After 1, 3 and 6 h of desiccation, individuals were resubmersed in aerated seawater for a 24 h recovery in three batches, which were represented as D1, D3 and D6, respectively. The results showed that glucose level in coelomic fluid of sea cucumber significantly decreased after desiccation, whereas lactate, cortisol and osmolality showed remarkable ascending trends. Thereafter, all stress parameters gently recovered towards normal levels as control group during 24 h resubmersion. The prolonged desiccation at D6 treatment induced the significant increases of malondialdehyde (MDA) and reactive oxygen species (ROS) contents, as well as relatively lower superoxide dismutase (SOD) and catalase (CAT) activities. During the period of desiccation and subsequent resubmersion, sea cucumber adjusted antioxidant defense to reduce the concentrations of MDA and ROS as a strategy for protecting against oxidative damage. Desiccation also had significant effects on non-specific immune parameters (total coelomocytes counts, TCC; complement C3; total nitric oxide synthase, T-NOS; lysozyme, LSZ; alkaline phosphatase, AKP) of A. japonicus, which could be recovered to some extent during resubmersion. In conclusion, less than 6 h of desiccation did not induce irreparable damage to sea cucumber, and was recommended for handling and shipping live sea cucumbers.
Novel Cathelicidin Antimicrobial Peptides from Paa robertingeri
Authors: Luo Qinghua , Deng Huaiqing , Yin Mengguang , Chen Chen , Zhou Jiang
Published: August 2019

This study aimed to describe two cathelicidins (cathelicidin-PR1 and cathelicidin-PR2) from the skin of Paa robertingeri (Anura: Ranidae). The deduced mature peptides cathelicidin-PR1 and cathelicidin-PR2 were composed of 29 and 25 residues, respectively. Cathelicidin - PR1 has higher antimicrobial activity it could kill Gram-positive and Gram-negative bacteria and even some fungal species. Cathelicidin-PR1 exhibited more effective than AMP in antimicrobial activity against Pseydomonas maltophilia clinical strain. On the contrary, cathelicidin-PR2 had very weak antimicrobial activity. Furthermore, cathelicidin-PR1 and cathelicidin-PR2 exhibited very low hemolytic activity against human erythrocytes and little hemagglutinating activity. The results suggested that the cathelicidin-PR1 might serve as a template for developing novel antibiotics.
The Significance of ‘Non-Significant’ Meconium Stained Amniotic Fluid (MSAF): Colour versus Contents
Authors: Bolten Mareike , Chandraharan Edwin
Published: August 2019

The presence of ‘thin’ or ‘non-significant’ meconium stained amniotic fluid (MSAF) is currently being considered by some intrapartum guidelines as ‘low risk’, requiring only an intermittent auscultation and not continuous electronic fetal heart rate monitoring using the cardiotocograph (CTG). Clinicians not only must exclude ‘non-physiological’ causes of MSAF but consider the potential effect of MSAF on fetal wellbeing, irrespective of whether the passage was secondary to a normal physiological process or due to an underlying pathology. Management decisions should be made based on the parity, rate of progress of labour, cervical dilatation at diagnosis, and observed CTG changes and the risk factors such as multiple pregnancy and intra-uterine growth restriction. Presence of any meconium within the amniotic fluid should be considered as an important intrapartum risk factor. The thin meconium may be ‘non-significant’ on visual inspection, but it is very significant from the point of view of a fetus, who is covered with toxic materials within the surrounding amniotic fluid.
Bayesian Probability of Success in Clinical Trials
Authors: Liu Guanghan (Frank) , Heyse Joseph
Published: August 2019

Traditionally, power and sample size calculations for clinical trials are based on the assumed parameters that are typically estimated from previous studies. However, the variation of those estimates is not incorporated in the traditional methods. In this article, we provide an overview of Bayesian probability of success (POS), which accounts for the uncertainty of the design parameters in a Bayesian framework. The concepts of assurance or Bayesian POS are reviewed and illustrated with examples including POS for a single study, predictive power at interim analysis, and overall POS for a clinical program with multiple studies. Discussions are provided on how to use POS approach for evaluation of go/no‐go decision‐making and assessing the return on investment (ROI), and on the connection between POS and prediction models for clinical trial outcomes.
Assessment and Interpretation of Surface Wettability Based on Sessile Droplet Contact Angle Measurement: Challenges and Opportunities
Authors: Kung Chun Haow , Sow Pradeep Kumar , Zahiri Beniamin , Mérida Walter
Published: August 2019

Surface wettability, a property that governs the interaction between the solid and liquid phases, is central in various biological systems and technological applications. A typical approach to assess the wetting interaction is based on the sessile droplet contact angle. Despite its experimental simplicity, caution is required in the measurement and interpretation of the sessile contact angle as a wettability metric. In this work, the major challenges related to the use of the sessile droplet contact angle for characterizing surface wetting behavior are reviewed. The complexity of interpreting surface wettability using the contact angle value arising from the following factors is discussed: the role of solid–liquid interfacial area and three‐phase contact line, the existence of multiple metastable states with a range of contact angle values, and the droplet size dependence of contact angles. An overview of the emerging alternative wetting evaluation techniques and parameters that can complement the sessile contact angle measurement is outlined.
Silver‐Catalyzed Radical Cascade Cyclization of Unactivated Alkenes towards Cyclopenta[c]quinolines
Authors: Sun Kai , Si Ya‐Feng , Chen Xiao‐Lan , Lv Qi‐Yan , Jiang Nan , Wang Shan‐Shan , Peng Yu‐Yu , Qu Ling‐Bo , Yu Bing
Published: August 2019

A convenient radical cascade cyclization of aniline‐linked 1,7‐enynes with 1,3‐dicarbonyl compounds was developed to synthesize cyclopenta[c]quinolines in the presence of AgNO3/K2S2O8. A wide range of cyclopenta[c]quinolines were prepared in moderate to excellent yields.

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What drives farmers’ willingness to adopt e‐commerce in rural China? The role of Internet use
Authors: Ma Wanglin , Zhou Xiaoshi , Liu Min
Published: August 2019

This letter investigates the factors that drive farmers’ willingness to adopt (WTA) e‐commerce, with a focus on the role of Internet use. The recursive bivariate probit model is applied to analyze data collected from rural China. The empirical results reveal that Internet use increases the likelihood of farmers’ WTA e‐commerce by 20%. Further, we show that the WTA effects of Internet use are heterogeneous between male and female household heads and among different regions.
Generierung und Anwendung des Hydroxid‐Trihydrat‐Anions, [OH(OH2)3]−, stabilisiert durch ein schwach koordinierendes Kation
Authors: Weitkamp Robin F. , Neumann Beate , Stammler Hans‐Georg , Hoge Berthold
Published: August 2019

Die Reaktion eines stark basischen Phosphazens (Schwesinger‐Base) mit Wasser lieferte das entsprechende metastabile Hydroxid‐Trihydrat‐Anion [OH(OH2)3]−. Dies ist das erste Hydroxid‐Solvat, das nicht mit einem Kation in Kontakt steht. Darüber hinaus stellt es eines der seltenen bekannten wasserstabilisierten Hydroxid‐Anionen dar. Die Thermolyse im Vakuum führt zur Zersetzung des Hydroxidsalzes und zur quantitativen Freisetzung der freien Phosphazenbase. Dieses Verhalten wurde für die Synthese der Schwesinger‐Base aus ihrem Hydrochloridsalz mit einem Anionenaustauscherharz in exzellenten Ausbeuten von über 97 % genutzt. Diese Deprotonierungsmethode kann auch für die phosphazenbasenkatalysierte Synthese des Ruppert‐Prakash‐Reagenzes Me3SiCF3 unter Verwendung von Fluoroform (HCF3) als Trifluormethylbaustein und Natriumhydroxid als formalem Deprotonierungsmittel verwendet werden.
Light‐Driven Intramolecular C−N Cross‐Coupling via a Long‐Lived Photoactive Photoisomer Complex
Authors: Jing Dong , Lu Cong , Chen Zhuo , Jin Songyang , Xie Lijuan , Meng Ziyi , Su Zhishan , Zheng Ke
Published: August 2019

Reported herein is a visible‐light‐driven intramolecular C−N cross‐coupling reaction under mild reaction conditions (metal‐ and photocatalyst‐free, at room temperature) via a long‐lived photoactive photoisomer complex. This strategy was used to rapidly prepare the N‐substituted polycyclic quinazolinone derivatives with a broad substrate scope (>50 examples) and further exploited to synthesize the natural products tryptanthrin, rutaecarpine, and their analogues. The success of gram‐scale synthesis and solar‐driven transformation, as well as promising tumor‐suppressing biological activity, proves the potential of this strategy for practical applications. Mechanistic investigations, including control experiments, DFT calculations, UV‐vis spectroscopy, EPR, and X‐ray single‐crystal structure of the key intermediate, provides insight into the mechanism.
Near‐Infrared Light‐Initiated Hybridization Chain Reaction for Spatially and Temporally Resolved Signal Amplification
Authors: Chu Hongqian , Zhao Jian , Mi Yongsheng , Zhao Yuliang , Li Lele
Published: August 2019

Precise control over signal amplification provides unparalleled opportunities for diverse applications. However, spatiotemporally controlled amplification has not been realized because of the lack of a design methodology. The aim of this study was thus to develop a conceptual approach for remote control over signal amplification at a chosen time and site in living cells. This system was constructed by re‐engineering the functional units of the hybridization chain reaction (HCR) and combination with upconversion photochemistry, thus resulting in an activatable HCR with the high spatial and temporal precision of near‐infrared (NIR) light. As a proof of concept, we demonstrate the spatially and temporally resolved amplified imaging of messenger RNA (mRNA) with ultrahigh sensitivity in vitro and in vivo. Furthermore, by using a system targeting subcellular sites we have developed a new technique for NIR‐initiated amplified imaging of mRNA exclusively within a specific organelle.
Synthesis and structure–activity relationships of pyrazolo‐[3,4‐b]pyridine derivatives as adenosine 5'‐monophosphate‐activated protein kinase activators
Authors: Zheng Bifeng , Peng Yajun , Wu Weihong , Ma Junlong , Zhang Yuzhao , Guo Yu , Sun Shengjie , Chen Zhuo , Li Qianbin , Hu Gaoyun
Published: August 2019

A series of pyrazolo[3,4‐b]pyridine derivatives were designed, synthesized, and evaluated for their activation activity toward adenosine 5'‐monophosphate‐activated protein kinase (AMPK). According to the enzyme activity, the pyrazole N‒H exposure and para substitution on the diphenyl group were proved to be essential for the activation potency. Compound 17f showed equal activation compared with A‐769662. In the molecular modeling study, compound 17f exhibited important hydrogen bond interaction with Lys29, Asp88, and Arg83. 3‐(4,5‐Dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide assays on the NRK‐49F cell line showed that potent enzyme activators could effectively inhibit cell proliferation, especially for 17f (EC50 [AMPKα1γ1β1] = 0.42 μM, efficacy = 79%; IC50 [NRK‐49F cell line] = 0.78 μM). These results might provide new insights to explore novel AMPK activators.
Frontiers in Halogen and Chalcogen‐Bond Donor Organocatalysis
Authors: Bamberger Julia , Ostler Florian , Mancheño Olga García
Published: August 2019

Non‐covalent molecular interactions on the basis of halogen and chalcogen bonding represent a promising, powerful catalytic activation mode. However, these “unusual” non‐covalent interactions are typically employed in the solid state and scarcely exploited in catalysis. In recent years, an increased interest in halogen and chalcogen bonding has been awaken, as they provide profound characteristics that make them an appealing alternative to the well‐explored hydrogen bonding. Being particularly relevant in the binding of “soft” substrates, the similar strength to hydrogen bonding interactions and its higher directionality allows for solution‐phase applications with halogen and chalcogen bonding as the key interaction. In this mini‐review, the special features, state‐of‐the‐art and key examples of these so‐called σ‐hole interactions in the field of organocatalysis are presented.
Ab Initio Study of the Stepwise versus Concerted Fragmentation Pathways in Microhydrated Thymine Radical Cations
Authors: Semmeq Abderrahmane , Monari Antonio , Badawi Michael , Ouaskit Said
Published: August 2019

Thymine radiation‐induced fragmentation is characterised by ring opening and the loss of HNCO/NCO. These pathways have been investigated using DFT calculations in the presence of zero, one and two water molecules. In addition to the already characterised stepwise fragmentation mechanism, we propose a novel concerted pathway reported here for the first time. We show that both the stepwise and concerted mechanisms are competitive with activation energies of 2.05 eV and 2.00 eV, respectively, in the gas phase. The effect of microhydration on these mechanisms are examined based on the most stable conformations found by an exploration of the potential energy surface performed by using DFT‐based ab initio molecular dynamics. Microhydration is also accompanied by an increase in the activation energies, with respect to gas phase, amounting to 0.47 eV—an increase that is associated to a stabilising effect of water in agreement with recent experimental studies. However, we also point out that this effect is greatly dependent on the specific water arrangement around thymine and could be limited to only 0.13 eV for some configurations.
Directed Nanoparticle Assembly through Polymer Crystallization
Authors: Mei Shan , Staub Mark , Li Christopher Y.
Published: August 2019

Nanoparticles can be assembled into complex structures and architectures by using a variety of methods. In this review, we discuss recent progress of using polymer crystallization (particularly polymer single crystals, PSCs) to direct nanoparticle assembly. PSCs have been extensively studied since 1957. Mainly appearing as quasi‐two‐dimensional (2D) lamellae, PSCs are typically used as model systems to determine polymer crystalline structures, or as markers to investigate the crystallization process. Recent research has demonstrated that they can also be used as nanoscale functional materials. Herein, we show that nanoparticles can be directed to assemble into complex shapes by using in situ or ex situ polymer crystal growth. End‐functionalized polymers can crystallize into 2D nanosheet PSCs, which are used to conjugate with complementary nanoparticles, leading to a nanosandwich structure. These nanosandwiches can find interesting applications for catalysis, surface‐enhanced Raman spectroscopy, and nanomotors. Dissolution of the nanosandwich leads to the formation of Janus nanoparticles, providing a unique method for asymmetric nanoparticle synthesis.
Template‐Free Self‐Assembly of Artificial De Novo Viral Coat Proteins into Nanorods: Effects of Sequence, Concentration, and Temperature
Authors: Vargas Ernesto Cazares , Stuart Martien A. Cohen , de Vries Renko , Hernandez‐Garcia Armando
Published: August 2019

Invited for the cover of this issue is the group of Armando Hernandez‐Garcia at the National Autonomous University of Mexico. The image depicts how parameters from the “chemical space”, such as concentration, sequence length, time and temperature, affect the self‐assembly of virus mimicking protein block copolymers into nanorods. Read the full text of the article at 10.1002/chem.201901486.
“Dark” Singlet Oxygen Made Easy
Authors: Elsherbini Mohamed , Allemann Rudolf K. , Wirth Thomas
Published: August 2019

An operationally simple continuous flow generator of “dark” singlet oxygen has been developed. The singlet oxygen was efficiently reacted with several chemical traps to give the corresponding oxygenated products in high yields. The developed “dark” singlet oxygen generator has been successfully applied in the synthesis of the antimalarial drug artemisinin.
Design and fabrication of non‐noble metal catalyst‐based air‐cathodes for metal‐air battery
Authors: Zhang Lei , Huang Qiu‐An , Yan Wei , Shao Qinsi , Zhang Jiujun
Published: August 2019

In this paper, cost‐effective non‐noble metal catalyst‐based air‐cathodes are designed, developed, and fabricated for a metal‐air battery, particularly in a non‐toxic neutral solution environment (sodium chloride). The air‐cathode and its fabrication method comprise two gas diffusion layers (GDLs) bonded on to each side of the current collector (nickel mesh) by a rolling method, and a catalyst layer bonded on one GDL by a spraying method. The GDL paste consists of carbon powder and hydrophobic chemicals, and the catalyst layer contains non‐noble metal catalyst, carbon powder, and hydrophilic chemicals. Several characterization techniques such as DTA/TG thermal analysis, electrochemical impedance spectroscopy, linear sweep voltammetry, and their associated theories are used to understand the properties and performance of the developed air‐cathodes. The advantages of the current method of forming the air‐cathode can decrease the internal electronic resistance and gas flow restriction of the system, and therefore increase air permeability as well as water transportation to the reaction sites. By using such an integrated structure of an air diffusion cathode, the cost‐effectiveness in terms of materials and manufacturing compared to the commercial air‐cathode, and the overall fabrication procedure is achieved, and the method can be easily transferred into a continuous industrial manufacturing process.
Implementing electronic health record–integrated screening of patient‐reported symptoms and supportive care needs in a comprehensive cancer center
Authors: Garcia Sofia F. , Wortman Katy , Cella David , Wagner Lynne I. , Bass Michael , Kircher Sheetal , Pearman Timothy , Penedo Frank J.
Published: August 2019

Background

Oncology practice can be enhanced by the integration of the assessment of patient‐reported symptoms and concerns into the electronic health record (EHR) and clinical workflows.

Methods

Adult oncology outpatients (n = 6825) received 38,422 invitations to complete assessments through the EHR patient portal. Patient‐Reported Outcomes Measurement Information System computer adaptive tests were administered to assess fatigue, pain interference, physical function, depression, and anxiety. Checklists identified psychosocial, nutritional, and informational needs. In real time, assessment results were populated in the EHR, and clinicians were notified of elevated symptoms and needs.

Results

In all, 3521 patients (51.6%) completed 8162 assessments; approximately 55% of the responding patients completed 2 or more within 32 months. Fatigue, pain, anxiety, and depression scores were comparable to those of the general population (approximately 5% of assessments triggered clinical alerts across those domains); mean scores indicated a lower level of physical function (with severe scores prompting alerts in nearly 5% of assessments). More than half of assessments triggered an alert based on patient endorsement of supportive care needs, with the majority of those being nutritional (41.82% of assessments). Patient endorsement of supportive care needs was associated with significantly higher anxiety, depression, fatigue, and pain interference scores and lower physical function scores. Patients who triggered clinical alerts tended to be younger and more recently diagnosed, to have greater comorbidities, and to be a racial/ethnic minority. Patients who triggered clinical alerts had more health care service encounters in the ensuing month.

Conclusions

EHR integration facilitated the assessment and reporting of patient‐reported symptoms and needs within routine oncology outpatient care.
Relations between catechol‐O‐methyltransferase Val158Met genotype and inhibitory control development in childhood
Authors: Bowers Maureen E. , Buzzell George A. , Salo Virginia , Troller‐Renfree Sonya V. , Hodgkinson Colin A. , Goldman David , Gorodetsky Elena , Martin McDermott Jennifer , Henderson Heather A. , Fox Nathan A.
Published: August 2019

The Val158Met rs4680 single‐nucleotide polymorphism (SNP) at the catechol‐O‐methyltransferase (COMT) gene, primarily involved in dopamine breakdown within prefrontal cortex, has shown relations with inhibitory control (IC) in both adults and children. However, little is known about how COMT genotype relates to developmental trajectories of IC throughout childhood. Here, our study explored the effects of the COMT genotype (Val/Val, Val/Met, and Met/Met) on IC trajectories between the ages of 5 and 10 years. Children (n = 222) completed a Go/Nogo task at ages 5, 7, and 10; IC was characterized using signal detection theory to examine IC performance (d′) and response strategy (RS) (criterion). COMT genotype was not related to initial levels of IC performance and RS at age 5 or change in RS from ages 5 to 10. In contrast, COMT genotype was related to change in IC performance between 5 and 10 years. While Val/Val children did not differ from Val/Met children in development of IC performance, children with the Met/Met genotype exhibited more rapid development of IC performance when compared with Val/Met peers. These results suggest that COMT genotype modulates the development of IC performance in middle childhood.
A randomized controlled trial of group cognitive remediation therapy for anorexia nervosa: Effects on set‐shifting tasks for inpatient adults and adolescents
Authors: Sproch Laura E. , Anderson Kimberly P. , Sherman Martin F. , Crawford Steven F. , Brandt Harry A.
Published: August 2019

Objective

The aim of this randomized controlled trial with a parallel design was to evaluate the effect of brief, cognitive remediation therapy (CRT) for anorexia nervosa (AN) on set‐shifting.

Method

Two hundred seventy‐five inpatient adults and adolescents with AN (mean age = 23.1; SD = 12.7) were randomly assigned (using simple randomization procedures) to either a CRT or control condition. All participants received treatment as usual; however, the CRT condition completed five CRT group sessions in lieu of other group therapies provided on the unit. Set‐shifting abilities were evaluated by: (a) neuropsychological measures and (b) experimental cognitive behavior therapy thought records. Blinding of group assignment occurred during baseline assessment and ended following group commencement.

Results

Data from 135 CRT and 140 control condition participants were analyzed. On all neuropsychological measures, results revealed no between group condition effects, but did show statistically significant time effects, with medium to large effect sizes. Thought record analysis revealed a significant condition by age interaction effect where adults in the CRT condition generated significantly more alternative thoughts and had stronger believability of alternative thoughts than children, a trend that was not found in the control condition. This yielded moderate to large effect sizes of.0.56 and 0.72, respectively.

Discussion

Based on traditional neuropsychological measures, these findings do not suggest a differential effect of CRT for AN in the format applied. However, results suggest that CRT may have some increased beneficial cognitive effect for adults, as compared to children, based on thought record analysis.
Single Step Synthesis of MoSe2−MoO3 Heterostructure for Highly Sensitive Amperometric Detection of Nitrite in Water Samples of Industrial Areas
Authors: Vishnu Nandimalla , Badhulika Sushmee
Published: August 2019

The present work reports a simple and single‐step hydrothermal synthesis of MoSe2−MoO3 composite for highly sensitive and selective electrochemical oxidation of nitrite. FESEM of the MoSe2−MoO3 hybrid revealed the formation of composite as laminated structure of different sizes piled up together as finger‐like MoSe2 bars whilst other physico‐chemical characterizations (XRD, FTIR, UV‐Vis, XPS) confirmed that co‐existence of MoO3 as a major by‐product of hydrothermal synthesis. The as‐fabricated MoSe2−MoO3 composite based nitrite sensor showed remarkable selectivity and reproducibility with <3s of response time, excellent sensitivity and detection limit of 10.84 A M−1 cm−2 (R2=0.996) and 0.1 μM, respectively, in the range of 2.5–80 μM. The obtained sensitivity can be credited to the high surface area obtained from 1T phase MoSe2 and α phase MoO3 as the sensing material. The developed sensor was effectively evaluated for electrochemical recognition of nitrite in the water samples (potable and tap water) gathered from an industrial area. This new and efficient MoSe2−MoO3 based electrode material offers a new frontier for the progress of a novel composites by simple and single‐step approach which can be used for progress of non‐enzymatic and inexpensive electrochemical sensors for a wide range of analytical applications.
Aqueous Energy Storage Device Based on LiMn2O4 (Spinel) Positive Electrode and Anthraquinone‐Modified Carbon‐Negative Electrode
Authors: Hanna Ortal , Malka David , Luski Shalom , Brousse Thierry , Aurbach Doron
Published: August 2019

This article describes the design and tests of aqueous hybrid energy‐storage devices based on activated carbon‐negative electrode and LiMn2O4 (spinel) positive electrode. For this study, activated carbons from two different sources are selected and are further improved by grafting with electroactive anthraquinone molecules. The electrolyte solution is aqueous 1 m Li2SO4 with pH = 7.5. The performances of balanced hybrid devices are characterized by cyclic voltammetry and galvanostatic measurements. It is possible to charge the hybrid cells up to 1.5 V and cycle them with current densities of 40 mA g−1 (mass of positive electrode). These fully balanced cells can achieve thousands of cycles with capacities up to 75 mAh g−1. Preliminary calculations predict that such devices may reach energy density approaching 35 Wh kg−1 (total mass of active materials in both electrodes). Herein, a model of “rocking chair”‐type hybrid systems, comprising carbon anodes with amplified capacity, in which the electrolyte solution can serve as a thin layer of ion carrier, is presented. It is believed that the concept may be extended to the more important Na ions hybrid cells. Such systems may be suitable for load‐leveling applications and large stationary energy‐storage devices operating with very safe aqueous electrolyte solutions.
The number of the non‐full‐rank Steiner triple systems
Authors: Shi Minjia , Xu Li , Krotov Denis S.
Published: August 2019

The ‐rank of a Steiner triple system (STS) is the dimension of the linear span of the set of characteristic vectors of blocks of , over GF. We derive a formula for the number of different STSs of order and given ‐rank , , and a formula for the number of STSs of order and given ‐rank , . Also, we prove that there are no STSs of ‐rank smaller than and, at the same time, ‐rank smaller than . Our results extend previous study on enumerating STSs according to the rank of their codes, mainly by Tonchev, V.A. Zinoviev, and D.V. Zinoviev for the binary case and by Jungnickel and Tonchev for the ternary case.
Remifentanil inhibits the traumatic stress response in emergent trauma surgery
Authors: Ouyang Ru , Ren Haijing , Liu Wei , Yuan Xi , Lei Enjun
Published: August 2019

Objective

The aim of this study was to explore whether remifentanil could inhibit the stress response in emergent trauma surgery more effectively than sufentanil.

Patients and methods

Sixty trauma patients for emergent surgery were randomly divided into remifentanil group (R group, n = 30) or sufentanil group (S group, n = 30). The patients in the R group were continuously intravenously infused with remifentanil, while those in the S group were administrated with sufentanil. The plasma contents of cortisol (COR), epinephrine (E), norepinephrine (NE), and blood glucose were measured before anesthesia induction (T1), 5 minutes after intratracheal intubation (T2) and 5 minutes (T3), 30 minutes (T4), and 1 hour (T5) after surgery, respectively. The blood pressure (BP) and the heart rate (HR) at these time points were recorded as well.

Results

The results showed that the patients in the R group had more stable hemodynamics during the surgery and had a significantly lower HR at T2‐T5 than those in the S group. The plasma levels of norepinephrine at time points T3‐T5 and levels of cortisol at T4‐T5 in the R group were significantly lower than those in the S group (P < 0.05).

Conclusions

The results in the present study indicated that remifentanil could inhibit the stress response in emergent trauma surgery patients more effectively than sufentanil.
A surface plasmon resonance immunoassay for the rapid analysis of methamphetamine in forensic oral fluid
Authors: Wang Jiye , Yao Weixuan , Meng Fanwei , Wang Pengjuan , Wu Yuanzhao , Wang Binjie
Published: August 2019

Background

Current chromatographic methods applied for the forensic analysis of methamphetamine are costly, time‐consuming, and require complicated pretreatment procedures. Thus, the rapid detection of methamphetamine is a critical and unmet need. In this study, a surface plasmon resonance (SPR) system based on indirect inhibitive immunoassay was designed for the analysis of methamphetamine in forensic oral fluid samples.

Methods

For the inhibition immunoassay, the diluted oral fluid was mixed with methamphetamine antibody and then injected into the SPR sensor chip. The biosensor chip was constructed by covalently immobilizing of methamphetamine‐bovine serum albumin conjugate onto a carboxymethyl dextran surface at an optimized pH. The concentration of antibody was also optimized.

Results

The SPR biosensor showed good sensitivity with a limit of detection of 0.44 ng/mL and was comparable or lower than the pre‐existing methods. The method was finally tested using oral fluid samples from 20 suspected drug abusers in forensic cases, and it provided an acceptable recovery of 113.2%, indicating good anti‐interference capability of the SPR sensor.

Conclusion

The SPR biosensor was rapid, reproducible, and had a great potential approach for the forensic detection of methamphetamine.