bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of Psychological Behaviour and Social effects of COVID-19 Lockdown
Authors: Bhaskarwar Yash Abhinav
Published: July 2021

The world is facing a difficult situation, which is a pandemic caused by the Novel Corona virus, which first appeared in China's Wuhan Province in December 2019. One of the main problems in this difficult and crucial situation is coping with pregnant women all over the world. The COVID-19 pandemic is wreaking havoc on society in a variety of ways, the most serious of which is mental health. This outbreak began as a result of a laboratory accident in Wuhan, China. People are suffering from mental problems as a result of disruptions in many aspects of society, the most critical of which is "socializing." The government's sudden decision to put the country on lockdown has caused significant social rifts. Their psychosocial thinking is directly impacted by this social distancing. People have begun to overthink everyday problems that have not been fully addressed as a result of the lockdown. The many issues associated with this quarantine have now been illustrated as a result of the rise in time and alienation from society.
COMPORTAMENTO INFORMACIONAL DOS PROFISSIONAIS DA SAÚDE NO HOSPITAL DE REABILITAÇÃO DE ANOMALIAS CRANIOFACIAIS DA UNIVERSIDADE DE SÃO PAULO – HRAC – USP
Authors: Wellichan Danielle Da Silva Pinheiro , Casarin Helen De Castro Silva , Motti Telma Flores Genaro
Published: July 2021

Os estudos de comportamento informacional visam descrever o comportamento humano relacionado às fontes e canais de informação, descrevendo os processos de busca, recuperação, acesso e uso da informação. As contribuições destes estudos, quando seguem a abordagem de domínio, podem ser aplicadas em produtos e serviços informacionais adequados a diferentes grupos de usuários de estudados. Neste estudo, buscou-se descrever as necessidades informacionais de membros de uma equipe multidisciplinar de profissionais da área da saúde, em um hospital especializado em reabilitação de anomalias craniofaciais. A coleta de dados foi realizada por meio de aplicação de questionário aos profissionais da equipe de atendimento aos pacientes com fissura labiopalatina, incluindo as áreas de medicina, odontologia, enfermagem, fonoaudiologia, serviço social e psicologia, num total de 56 participantes. Os resultados indicaram uma preferência dos participantes por fontes de informação informais (consultas a colegas e/ou à equipe multiprofissional) e o uso de bases de dados e artigos especializados como forma de atualização profissional. Constatou-se a dificuldade dos profissionais na elaboração de estratégias. O Centro de Documentação também foi apontado como utilizado pelos profissionais, mostrando um panorama diferente da literatura nacional e internacional, além de confirmar a importância do bibliotecário clínico no contexto hospitalar. Tais considerações permitem constatar que, no ambiente informacional da saúde, produtos e serviços precisam ser oferecidos de forma rápida e de acordo com suas necessidades.
ANÁLISE DO IMPACTO DA PRODUÇÃO TÉCNICO-CIENTÍFICA DE UMA UNIDADE DA EMBRAPA ESPECIALIZADA EM GEOINFORMAÇÃO
Authors: Pinto Daniela Maciel , Solano Viviane De Oliveira , Takemura Celina Maki , Dos Santos Brandão Vera Viana
Published: July 2021

O grande desafio imposto às organizações é o de saber transformar, compreender, interpretar e utilizar a enorme massa documental e informacional disponível. No contexto da Embrapa Territorial, as técnicas oriundas da Bibliometria e Cientometria vem sendo empregadas pela área de Transferência de tecnologias (TT) auxiliando no processo de gestão da informação, com vistas a apoiar a identificação de oportunidades a partir do acompanhamento do impacto dos trabalhos produzidos por este centro. Este trabalho tem o objetivo de obter inferências sobre o direcionamento da produção científica da Embrapa Monitoramento por Satélite a partir da análise do comportamento dos artigos de periódicos publicados pela instituição, no período de 2010 a 2015. As questões a serem respondidas para o alcance desse objetivo são: 1 - Qual o quantitativo informacional produzido pela Embrapa Territorial? 1.1. Qual a qualificação dos periódicos em que foram registrados os trabalhos no formato de artigos em periódicos; 2 - Qual o impacto dos trabalhos produzidos pela Unidade, nas bases de dados Web of Science e Google Scholar. 3. Qual a relação do impacto dos trabalhos com a rede de parcerias da Unidade.
MODELO LÓGICO DA INFORMAÇÃO ARQUIVADA NO OPEN ARCHIVAL INFORMATION SYSTEM: uma reflexão arquivística
Authors: Santos Henrique Machado dos , Flores Daniel
Published: July 2021

A constante produção de documento digitais no âmbito da Arquivística ocasionou um processo de revisão teórico-prático. Como consequência, além de custodiar documentos analógicos, os arquivos passaram também, a custodiar documentos digitais. No entanto a sua preservação é dotada de complexidades tecnológicas e especificidades arquivísticas, e para sanar tais necessidades, tem-se discutido a implementação de políticas, estratégias e repositórios digitais em conformidade com o modelo Open Archival Information System (OAIS). Para fins deste estudo, aborda-se o modelo lógico da informação arquivada, proposto pelo OAIS, com o objetivo de identificar e apontar convergências com a Arquivística. A metodologia consiste no levantamento bibliográfico composto por livros, publicações técnicas e artigos científicos, caracteriza-se assim, como um artigo de revisão assistemática. Como resultado, observaram-se convergências entre a Arquivística e o modelo lógico da informação arquivada presente no OAIS em relação à organicidade, proveniência, custódia e acesso. Dentre os principais apontamentos, ressalta-se a pertinência do modelo lógico da informação arquivada, o qual proporciona confiabilidade aos documentos arquivísticos custodiados, e assim reforça a possibilidade de implementar repositórios arquivísticos digitais confiáveis, em conformidade com o OAIS.
O DOCUMENTO FOTOGRÁFICO EM DEBATE: um estudo em periódicos científicos nas áreas da Ciência da Informação e da Arquivologia
Authors: Silva Sérgio Matias
Published: July 2021

Busca-se neste trabalho analisar a fotografia como objeto de estudo nas áreas da Arquivologia e Ciência da Informação a partir do levantamento, leitura e análise da produção científica resultante desse debate nos principais periódicos das áreas, visando atualizar e aprofundar o debate sobre os documentos fotográficos em ambas as áreas, estabelecendo assim um quadro compreensivo e tecendo questionamentos em prol do desenvolvimento da temática.
PRÁTICAS INFORMACIONAIS DE JOVENS E ADULTOS: uma experiência com estudantes do PROEJA
Authors: Santos Sylvana Karla Da Silva de Lemos , Kafure Ivette
Published: July 2021

Este estudo buscou identificar as práticas informacionais de estudantes de um curso técnico integrado ao ensino médio na modalidade de educação de jovens e adultos em uma instituição de Brasília, Distrito Federal, Brasil. As questões buscaram identificar características de acesso e uso da informação com destaque para as tecnologias que costumam ser utilizadas, frequência de uso, local de acesso e a preferência pelas ferramentas de comunicação e busca da informação. A pesquisa apresenta caráter descritivo e natureza mista, cuja técnica de coleta de dados foi a entrevista estruturada com emprego de um questionário. Os resultados indicam o acesso diário à internet para a maioria dos participantes, a preferência pelo smartphone como dispositivo de uso e o correio eletrônico e as redes sociais como principais serviços acessados pela Internet. O Facebook foi apontado como preferência de rede social e o Whatsapp foi o serviço de mensagem instantânea mais consumido. Estes dados, além de permitir a identificação das práticas informacionais dos estudantes, sugerem as ferramentas que podem ser empregadas no planejamento de atividades do curso.
EL CONCEPTO DE RÉGIMEN DE INFORMACIÓN APLICADO A ARCHIVOS: relevamiento de la producción científica
Authors: Mintegui Evelin , Karpinski Cezar , Vianna William
Published: July 2021

El objetivo de este trabajo es presentar los datos de trabajos que relacionaron el concepto de régimen de información a archivos. Con objetivo exploratorio, se buscó el concepto de régimen de información en tres bases científicas, con recorte temporal entre 2006-2018, constituyendo un corpus de sesenta y seis referencias. Dentro del corpus de artículos se buscaron los términos en los títulos, palabras clave y resúmenes con los términos "record", "records", "archive" y "archives". De forma complementaria, el término "regime de informação" fue buscado en la Biblioteca Digital Brasileña de Tesis y Disertaciones (BDTD). Encontramos cuatro (4) artículos y cuatro (4) tesis doctorales que relacionaron el concepto de régimen de información a archivos. Los documentos recogidos fueran analizados de manera a comprender a cuáles influencias teóricas se podría relacionarlos. La producción es bastante localizada en la academia brasileña, lo que puede ser visto tanto como una posible fragilidad o como una innovación o adaptación propia en el país. El concepto se aplica bajo abordajes más o menos estructurales, según mayor infuencia de Braman o Frohman. No se localizaron trabajos que partieron desde el punto de vista más pragmático, tampoco trabajos que utilizaron el concepto de régimen de información para el análisis de una política nacional de archivos.
TENDÊNCIAS E USO DE REPOSITÓRIOS DE ACESSO ABERTO
Authors: Fachin Juliana , Blatmann Ursula , Caldin Clarice Fortkamp
Published: July 2021

Estudo exploratório descritivo, levantamento bibliográfico para a contextualização do tema no período de 2006 a 2018, coleta e análise de dados obtidos na BDTD e SciELO sobre publicações e materiais oriundos dos repositórios brasileiros de acesso aberto. Como objetivo de fomentar reflexões sobre a aplicação de repositórios de acesso aberto como fontes de informações para o desenvolvimento tecnológico e científico em escala global e apontar exemplos de aplicações de repositórios brasileiros de acesso aberto. Os resultados demonstraram que os estudos seguem a três vieses específicos: a) Estudos de repositório em âmbito internacional e nacional: América Latina, Caribe, Argentina, Cuba, Brasil; b) Estudos de casos em repositórios de universidades e instituição de pesquisa; c) Estudos com análise administrativa e técnica (indexação, recuperação e representação informacional, entre outros). Conclui-se, com base nos dados obtidos que, os repositórios de acesso aberto são recursos estruturados benéficos para organização, gestão e preservação da informação em diversos suportes informacionais. O estudo mostrou que o Brasil tem desenvolvido pesquisas, ainda que tímidas, com foco na aplicação de repositórios internacionais, nacionais ou institucionais.
RESSIGNIFICAÇÃO DAS POLÍTICAS, FUNDAMENTOS E PROCESSOS DA CIÊNCIA DA INFORMAÇÃO APORTADA PELAS TECNOLOGIAS DA INFORMAÇÃO E COMUNICAÇÃO: ensaio avaliativo
Authors: Toutain Lídia Maria Batista Brandão
Published: July 2021

Nesse ensaio, ressalta-se o expressivo significado que as tecnologias de informação e comunicação promoveram no desenvolvimento dos países, sobretudo no que tange ao bem-estar dos cidadãos, à geração de capital social e à criação e sustentação de projetos estruturantes. A disponibilização da banda larga, o acesso gratuito à internet, a universalização da educação digital são exemplos de recursos informacionais, que associados a outras medidas incentivadoras, como o ensino do empreendedorismo nas escolas, os estímulos ao aparecimento de inventores, fizeram surgir iniciativas compartilhadas, como as incubadores de empresas e os parques tecnológicos. A esse contexto tecnológico inovador, associa-se o uso de novos processos automatizados de tratamento da informação pelas bibliotecas, com o propósito de organizar e disponibilizar o incomensurável volume de informações, de modo quase que customizado, porque baseado nos modelos cognitivos de busca da informação pelo usuário, a partir do desenvolvimento de sistemas automáticos de armazenamento e recuperação da informação.
Water Can Accelerate Homogeneous Gold Catalysis
Authors: Stein Philipp M. , Rudolph Matthias , Hashmi A. Stephen K.
Published: July 2021

A selection of gold‐catalyzed reactions was examined in a kinetic study on the influence of water on the rate constant. Two intramolecular reactions and one intermolecular reaction, which proceed via proton transfer and/or protodeauration steps, were investigated. The kinetic data was collected by GC or 1H NMR spectroscopy. The obtained rate constants provided information about the influence of water in these test reactions. On the basis of the data collected, beyond the commonly assumed tolerance against water, a reaction‐promoting influence of water on gold catalysis was identified and kinetically quantified. The results underline that the often‐mentioned water‐tolerance of gold catalysis not only simplifies these reactions operationally, but in addition even provides better results than a troublesome exclusion of water.

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Reconstructing Dipsacales phylogeny using Angiosperms353: issues and insights
Authors: Lee Aaron K. , Gilman Ian S. , Srivastav Mansa , Lerner Ariel D. , Donoghue Michael J. , Clement Wendy L.
Published: July 2021

Premise

Phylogenetic relationships within major angiosperm clades are increasingly well resolved, but largely informed by plastid data. Areas of poor resolution persist within the Dipsacales, including placement of Heptacodium and Zabelia, and relationships within the Caprifolieae and Linnaeeae, hindering our interpretation of morphological evolution. Here, we sampled a significant number of nuclear loci using a Hyb‐Seq approach and used these data to infer the Dipsacales phylogeny and estimate divergence times.

Methods

Sampling all major clades within the Dipsacales, we applied the Angiosperms353 probe set to 96 species. Data were filtered based on locus completeness and taxon recovery per locus, and trees were inferred using RAxML and ASTRAL. Plastid loci were assembled from off‐target reads, and 10 fossils were used to calibrate dated trees.

Results

Varying numbers of targeted loci and off‐target plastomes were recovered from most taxa. Nuclear and plastid data confidently place Heptacodium with Caprifolieae, implying homoplasy in calyx morphology, ovary development, and fruit type. Placement of Zabelia, and relationships within the Caprifolieae and Linnaeeae, remain uncertain. Dipsacales diversification began earlier than suggested by previous angiosperm‐wide dating analyses, but many major splitting events date to the Eocene.

Conclusions

The Angiosperms353 probe set facilitated the assembly of a large, single‐copy nuclear dataset for the Dipsacales. Nevertheless, many relationships remain unresolved, and resolution was poor for woody clades with low rates of molecular evolution. We favor expanding the Angiosperms353 probe set to include more variable loci and loci of special interest, such as developmental genes, within particular clades.
Terminal osseous dysplasia with pigmentary defects and cardiomyopathy caused by a novel FLNA variant
Authors: Rumping Lynne , Wessels Marja W. , Postma Alex V. , van Schuppen Joost , van Slegtenhorst Marjon A. , Saris Jasper J. , van Tintelen J. Peter , Robertson Stephen P. , Alders Mariëlle , Maas Saskia M. , Deprez Ronald H. Lekanne
Published: July 2021

Terminal osseous dysplasia with pigmentary defects (TODPD), also known as digitocutaneous dysplasia, is one of the X‐linked filaminopathies caused by a variety of FLNA‐variants. TODPD is characterized by skeletal defects, skin fibromata and dysmorphic facial features. So far, only a single recurrent variant (c.5217G>A;p.Val1724_Thr1739del) in FLNA has found to be responsible for TODPD. We identified a novel c.5217+5G>C variant in FLNA in a female proband with skeletal defects, skin fibromata, interstitial lung disease, epilepsy, and restrictive cardiomyopathy. This variant causes mis‐splicing of exon 31 predicting the production of a FLNA‐protein with an in‐frame‐deletion of 16 residues identical to the miss‐splicing‐effect of the recurrent TODPD c.5217G>A variant. This mis‐spliced transcript was explicitly detected in heart tissue, but was absent from blood, skin, and lung. X‐inactivation analyses showed extreme skewing with almost complete inactivation of the mutated allele (>90%) in these tissues, except for heart. The mother of the proband, who also has fibromata and skeletal abnormalities, is also carrier of the FLNA‐variant and was diagnosed with noncompaction cardiomyopathy after cardiac screening. No other relevant variants in cardiomyopathy‐related genes were found. Here we describe a novel variant in FLNA (c.5217+5G>C) as the second pathogenic variant responsible for TODPD. Cardiomyopathy has not been described as a phenotypic feature of TODPD before.
Cycloadditions with a Stable Charge‐Separated Cyclobutadiene‐Type Amido‐Substituted Silicon Ring Compound
Authors: Keuter Jan , Hepp Alexander , Daniliuc Constantin G. , Feldt Milica , Lips Felicitas
Published: July 2021

Reductive debromination of {N(SiMe3)2}SiBr3 with Rieke magnesium results in the formation of the five‐vertex silicon cluster with one bromine substituent Si5{N(SiMe3)2}5Br, 1, and the cyclobutadiene analogue 2 in a 1:1 ratio. The latter features a planar four‐membered silicon ring with a charge‐separated electronic situation. Two silicon atoms in 2 are trigonal planar and the other two trigonal pyramidal. In cycloadditions with ethylene, diethylacetylene, 1,5‐cyclooctadiene, and 2,3‐dimethyl‐1,3‐butadiene cyclic unsaturated ring compounds (3–6) were formed at room temperature in quantitative reactions. Two of the products (3 and 6) show photochemical isomerization with LED light (λ=405 nm) to afford saturated ring compounds 4 e and 6′.
P‐Block Atomically Dispersed Antimony Catalyst for Highly Efficient Oxygen Reduction Reaction
Authors: Wang Tongzhou , Cao Xuejie , Qin Hongye , Shang Long , Zheng Siyu , Fang Fang , Jiao Lifang
Published: July 2021

Main‐group (s‐ and p‐block) metals are generally regarded as catalytically inactive due to the delocalized s/p‐band. Herein, we successfully synthesized a p‐block antimony single‐atom catalyst (Sb SAC) with the Sb−N4 configuration for efficient catalysis of the oxygen reduction reaction (ORR). The obtained Sb SAC exhibits superior ORR activity with a half‐wave potential of 0.86 V and excellent stability, which outperforms most transition‐metal (TM, d‐block) based SACs and commercial Pt/C. In addition, it presents an excellent power density of 184.6 mW cm−2 and a high specific capacity (803.5 mAh g−1) in Zn–air battery. Both experiment and theoretical calculation manifest that the active catalytic sites are positively charged Sb−N4 single‐metal sites, which have closed d shells. Density of states (DOS) results unveil the p orbital of the atomically dispersed Sb cation in Sb SAC can easily interact with O2‐p orbital to form hybrid states, facilitating the charge transfer and generating appropriate adsorption strength for oxygen intermediates, lowering the energy barrier and modulating the rate‐determining step. This work sheds light on the atomic‐level preparing p‐block Sb metal catalyst for highly active ORR, and further provides valuable guidelines for the rational design of other main‐group‐metal SACs.
Highly anisotropic thermal conductivity of mesogenic epoxy resin film through orientation control
Authors: Tang Ning , Tanaka Shingo , Takezawa Yoshitaka , Kanie Kiyoshi
Published: July 2021

To develop insulating materials with a high thermally conductive anisotropy, planarly aligned mesogenic epoxy (ME) resin film was fabricated by uniaxial coating on a hydrophobic polyethylene terephthalate substrate. Grazing incidence small‐angle X‐ray scattering (GISAXS) and transmission SAXS measurements exhibited that the films spontaneously formed uniaxially aligned monodomain‐like smectic structures by curing on the hydrophobic substrate. Then, an in‐ and out‐of‐plane thermal conductivity of 10 and 0.048 W m−1 K−1 and outstanding thermal conductivity anisotropy of 208 have been confirmed, respectively. The ME resin films with high thermal conductivity can be applied as insulating materials for multiple‐layer electrical and electronic devices.
Toward transparency of hybrid open access through publisher‐provided metadata: An article‐level study of Elsevier
Authors: Jahn Najko , Matthias Lisa , Laakso Mikael
Published: July 2021

With the growth of open access (OA), the financial flows in scholarly journal publishing have become increasingly complex, but comprehensive data on and transparency of these flows are still lacking. The opacity is especially concerning for hybrid OA, where subscription‐based journals publish individual articles as OA if an optional fee is paid. This study addresses the lack of transparency by leveraging Elsevier article metadata and provides the first publisher‐level study of hybrid OA uptake and invoicing. Our results show that Elsevier's hybrid OA uptake has grown steadily but slowly from 2015 to 2019, doubling the number of hybrid OA articles published per year and increasing the share of OA articles in Elsevier's hybrid journals from 2.6 to 3.7% of all articles. Further, we find that most hybrid OA articles were invoiced directly to authors, followed by articles invoiced through agreements with research funders, institutions, or consortia, with only a few funding bodies driving hybrid OA uptake. As such, our findings point to the role of publishing agreements and OA policies in hybrid OA publishing. Our results further demonstrate the value of publisher‐provided metadata to improve the transparency in scholarly publishing.
Einsatz des Bauer‐Lift‐Cell‐Verfahrens beim Bauvorhaben Posten in Kopenhagen
Authors: Zimbelmann Jörg , Simson Andreas , Beckhaus Karsten
Published: July 2021

Für das Bauvorhaben Posten im Zentrum von Kopenhagen hat die Bauer Spezialtiefbau GmbH im Auftrag der Hercules Fundering insgesamt 35 Stück Bauer Lift Cells ∅ 1300 mm (für Großbohrpfähle D = 1500 mm) sowie 66 Stück Bauer Lift Cells ∅ 1000 mm (für Großbohrpfähle D = 1180 mm) hergestellt, geliefert, montiert und injiziert. Das Projekt wurde seitens Bauer Anfang März 2021 erfolgreich abgeschlossen. Bei Bohrpfahlgründungen mit geringen zulässigen Gesamtsetzungen und/oder geringen zulässigen Differenzsetzungen benachbarter Pfähle können mittels der Bauer Lift Cell der Pfahlfußwiderstand vor Erstellung des Bauwerks aktiviert und derart die später auftretenden Pfahlsetzungen durch deren Vorwegnahme erheblich reduziert werden. Die Bauer Lift Cell ist ein Edelstahl‐Hubkissen, das am unteren Ende des Bewehrungskorbs befestigt wird. Nach ausreichender Erhärtung des Pfahlbetons wird die Bauer Lift Cell unter hohem Druck mit Wasser befüllt und der Pfahlfuß gegen den Pfahlschaft vorgespannt. Der dabei eingesetzte Druck wird für jeden Pfahl individuell festgelegt. Nach der vorgegebenen Druckhaltezeit wird die Wasserfüllung vollständig und drucklos durch einen speziell an die Projekterfordernisse angepassten Zementleim ausgetauscht. Danach wird der Injektionsdruck auch beim Zementleim auf den Vorgabewert erhöht und der Zulauf geschlossen. Nach Erhärten des Zementleims sind Verformungen der Bauer Lift Cell dauerhaft ausgeschlossen – der Pfahlfußwiderstand ist aktiviert.
Bauteildruckfestigkeit bei Stahlbetonstützen aus normal‐ und hochfestem Beton
Authors: Matz Henrik , Empelmann Martin
Published: July 2021

Die Betondruckfestigkeit, die bei der Bemessung von Stahlbetonstützen anzusetzen ist, wird in den unterschiedlichen Regelwerken (EC2, EC2+NA, MC10) mit einem Beiwert αcc multipliziert, der neben zeitabhängigen Dauerstandeinflüssen auf der Materialseite (αcc,m) auch einfache bauteilspezifische Effekte (αcc,b) berücksichtigt. Hiermit werden aber die in Stahlbetonstützen vorliegenden speziellen bauteilspezifischen Zusammenhänge (z. B. Einfluss einer Längs‐ und Bügelbewehrung) nicht differenziert erfasst, sodass besonders bei Stahlbetonstützen mit höherfesten Betonen oder hohen Bewehrungsgraden in Bezug auf eine sichere Bemessung Bedenken bestehen. Für eine zuverlässigere Berücksichtigung wird in diesem Beitrag eine Stützendatenbank vorgestellt, mit der zunächst ein pauschaler Bauteilfaktor in Abhängigkeit von der Betondruckfestigkeit identifiziert werden kann. Anschließend werden die bauteilspezifischen Effekte aus dem Geometrie‐ und Bewehrungseinfluss auf die Bauteildruckfestigkeit aufgeschlüsselt und ein Produktansatz zur differenzierten Erfassung des Bauteilfaktors vorgeschlagen.
A new sensor based on thieno[2,3‐b]quinoline for the detection of In3+, Fe3+ and F− by different fluorescence behaviour
Authors: Li Linlin , Shang Xiaodong , Li Bing , Xing Yujing , Liu Yuanying , Yang Xiaofeng , Pei Meishan , Zhang Guangyou
Published: July 2021

Based on thieno[2,3‐b]quinoline‐2‐carbohydrazide and salicylaldehyde, a novel fluorescent probe (L) was designed and synthesized. L could be used as a multifunctional sensor to sequentially detect In3+ and Fe3+ through fluorescence enhancement and fluorescence quenching in DMF/H2O buffer solutions. At the same time, L had good anti‐interference ability, which could still detect In3+ and Fe3+ well in the presence of other metal ions. For F−, it could be detected by enhancing the fluorescence change caused by the introduction of Al3+. When other anions were present, the detection of F− would not be interfered. The detection limits of In3+, Fe3+ and F− were 1.16 × 10−10 M, 2.03 × 10−8 M and 7.98 × 10−9 M, respectively. The complexation model and sensing mechanism between L and In3+, Fe3+ and F− were confirmed by calculating structural optimization and energy optimization using Gaussian 09 software.
Antileukemic effects of indigo naturalis constituents by “target constituent knock‐out” coupled with semipreparative liquid chromatography and quadrupole time‐of‐flight mass spectrometry
Authors: Huang Hui , Li Yongning , Dai Yabin , Zhang Yuefen , Lu Qiaomei , Xu Qiaoxin , Zhang Yulin
Published: July 2021

A novel approach is presented to identify constituents with antileukemic properties in extracts of Indigo naturalis (Qingdai in Chinese). Target compounds (A+, BC+, and ABC+) that knocked out specific constituents displayed antileukemic effects in a total extract of I. naturalis and negative constituents (A−, BC−, and ABC−) that knocked out target compounds were separated, identified and knocked out by semipreparative liquid chromatography (semipreparative HPLC) and quadrupole time‐of‐flight mass spectrometer. Quantitative methods were used to evaluate the content of each knocked‐out constituent in the total extract (D). Subsequently, interactions between the antileukemic effects of knocked‐out constituents and D were screened and evaluated at the cellular level. Negative constituents including A− (65.47% ± 1.20%), BC− (54.61% ± 2.43%) and ABC− (67.49% ± 3.28%) displayed a greater inhibitory effect than D (47.16% ± 0.072%), which was not knocked out after 24 h of incubation, whereas the target compounds had not superior. Target compounds may have caused an antagonistic effect on the corresponding negative constituents. After 48 h, inhibition of proliferation by D (75.48% ± 3.78%) increased compared with that by negative constituents, whereas the antagonistic effect of target components on negative constituents was diminished. This result may reflect competitive antagonism. Comparing the reactions after 24 and 48 h, the inhibitory ratio of ABC− (79.29% ± 1.22%) in these knocked‐out constituents and D was always the highest. With different concentrations tested after 48 h, ABC− significantly increased the rate of apoptosis on K562 cells (P < 0.01), indicating that in addition to indirubin, tryptanthrin and isorhamnetin, other antileukemic constituents may be present. Our study presents an approach that is a truer reflection of the antileukemic effects of knocked‐out constituents in I. naturalis supported by reference to pharmacodynamic actions and the quality of I. naturalis. The approach may be useful for the analysis of other herbal extracts found in traditional Chinese medicine.
Diverse patient trajectories during cytotoxic chemotherapy: Capturing longitudinal patient‐reported outcomes
Authors: Azad Amee D. , Yilmaz Melih , Bozkurt Selen , Brooks James D. , Blayney Douglas W. , Hernandez‐Boussard Tina
Published: July 2021

Background

High‐value cancer care balances effective treatment with preservation of quality of life. Chemotherapy is known to affect patients’ physical and psychological well‐being negatively. Patient‐reported outcomes (PROs) provide a means to monitor declines in a patients’ well‐being during treatment.

Methods

We identified 741 oncology patients undergoing chemotherapy in our electronic health record (EHR) system who completed Patient‐Reported Outcomes Measurement Information System (PROMIS) surveys during treatment at a comprehensive cancer center, 2013–2018. PROMIS surveys were collected before, during, and after chemotherapy treatment. Linear mixed‐effects models were performed to identify predictors of physical and mental health scores over time. A k‐mean cluster analysis was used to group patient PROMIS score trajectories.

Results

Mean global physical health (GPH) scores were 48.7 (SD 9.3), 47.7 (8.8), and 48.6 (8.9) and global mental health (GMH) scores were 50.4 (8.6), 49.5 (8.8), and 50.6 (9.1) before, during, and after chemotherapy, respectively. Asian race, Hispanic ethnicity, public insurance, anxiety/depression, stage III cancer, and palliative care were predictors of GPH and GMH decline. The treatment time period was also a predictor of both GPH and GMH decline relative to pre‐treatment. Trajectory clustering identified four distinct PRO clusters associated with chemotherapy treatment.

Conclusions

Patient‐reported outcomes are increasingly used to help monitor cancer treatment and are now a part of care reimbursement. This study leveraged routinely collected PROMIS surveys linked to EHRs to identify novel patient trajectories of physical and mental well‐being in oncology patients undergoing chemotherapy and potential predictors. Supportive care interventions in high‐risk populations identified by our study may optimize resource deployment.

Novelty and impact

This study leveraged routinely collected patient‐reported outcome (PROMIS) surveys linked to electronic health records to characterize oncology patients’ quality of life during chemotherapy. Important clinical and demographic predictors of declines in quality of life were identified and four novel trajectories to guide personalized interventions and support. This work highlights the utility of monitoring patient‐reported outcomes not only before and after, but during chemotherapy to help advert adverse patient outcomes and improve treatment adherence.
Clinicopathologic factors that influence prognosis and survival outcomes in men with metastatic castration‐resistant prostate cancer treated with Radium‐223
Authors: Al‐Ezzi Esmail M. , Alqaisi Husam A. , Iafolla Marco A. J. , Wang Lisa , Sridhar Srikala S. , Sacher Adrian G. , Fallah‐Rad Nazanin , Jiang Di M. , Watson Geoffrey A. , Catton Charles N. , Warde Padraig R. , Hamilton Rob J. , Fleshner Neil E. , Zlotta Alexandre R. , Hansen Aaron R.
Published: July 2021

Background

In men with metastatic castration‐resistant prostate cancer (mCRPC) with primarily bone metastases, radium‐223 (223Ra) improves overall survival (OS). However, the selection of 223Ra is not guided by specific validated clinicopathologic factors, and thus outcomes are heterogeneous.

Patients and methods

This retrospective survival analysis was performed in men with mCRPC treated with 223Ra at our cancer center. Demographics and disease characteristics were collected. OS was calculated using the Kaplan–Meier method (log‐rank). The potential prognostic factors were determined using both univariable (UVA) and multivariable analysis (MVA) (Cox‐regression) methods.

Results

In total, 150 patients with a median age of 74 years (52–93) received 223Ra between May 2015 and July 2018, and 58% had 6–20 bone metastases. Ninety‐four (63%) patients received >4 223Ra doses, and 56 (37%) received ≤4. The following pre‐treatment factors were analyzed (median [range]): eastern cooperative oncology group performance status (ECOG PS), (1 [0–3]); Albumin (ALB), (39 g/L [24–47]); alkaline phosphatase (ALP), (110 U/L [35–1633]); and prostate‐specific antigen (PSA), (49 µg/L [0.83–7238]). The median OS for all patients was 14.5 months (95% CI: 11.2–18). These factors were associated with poor survival outcomes in UVA and MVA: ALB <35 g/L, ALP >150 U/L, ECOG PS 2–3, and PSA >80 µg/L. By assigning one point for each of these factors, a prognostic model was developed, wherein three distinct risk groups were identified: good, 0–1 (n = 103); intermediate, 2 (n = 30); and poor risk, 3–4 points (n = 17). The median OS was 19.4, 10.0, and 3.1 months, respectively (p < 0.001).

Conclusions

Pre‐treatment ALB, ALP, ECOG, and PSA, were significantly correlated with OS and could guide treatment selection for men with mCRPC by identifying those who are most or least likely to benefit from 223Ra. Validation in an independent dataset is required prior to widespread clinical utilization.
Investigation of Mn Promotion on HKUST‐1 Metal‐Organic Frameworks for Low‐Temperature Selective Catalytic Reduction of NO with NH3
Authors: Świrk Katarzyna , Delahay Gérard , Zaki Abdelali , Adil Karim , Cadiau Amandine
Published: July 2021

A series of HKUST‐1 supported catalysts (also known as Cu‐BTC, or MOF‐199 [copper(II)‐benzene‐1,3,5‐tricarboxylate]) modified with different loadings of manganese were synthesized and characterized by powder X‐ray diffraction, scanning electron microscopy/energy dispersive spectroscopy, nitrogen sorption, thermogravimetric analysis, and temperature‐programmed desorption with NH3. The structural and textural properties of the solids, compared to the reference support, are preserved as much as possible when the manganese content is not higher than 5.0 wt.%. This allows to obtain effective catalysts at low temperatures (<200 °C) in the selective catalytic reduction of NO with NH3. The highest efficiency is obtained with the catalyst containing 3.75 wt.% of manganese which exhibits NO conversion of 68 % at weight hourly space velocity (WHSV) of 96,000 ml/h g. This performance in NO reduction is recognized to be one of the best in the series of HKUST‐1‐Mnx catalysts. Nevertheless, their narrow temperature window for the working reaction and sensitivity to the presence of water vapor and sulfur dioxide remain a drawback.
Synergistic Effect Between Ca4V4O14 and Vanadium‐Substituted Hydroxyapatite in the Oxidative Dehydrogenation of Propane
Authors: Petit Sarah , Thomas Cyril , Millot Yannick , Averseng Frederic , Brouri Dalil , Krafft Jean‐Marc , Dzwigaj Stanislaw , Rousse Gwenaelle , Laberty‐Robert Christel , Costentin Guylène
Published: July 2021

The present work reports on a new type of V‐based catalysts, namely V‐substituted hydroxyapatites, and the influence of the synthesis conditions on their catalytic performance in the oxidative dehydrogenation of propane (ODHP) reaction. Vx‐substituted hydroxyapatite materials prepared with the periodic addition of ammonia during the maturation step (Vx‐HAp‐pH‐per) were shown to exhibit a Ca4V4O14 phase in addition to the V‐substituted hydroxyapatite phase for x greater than or equal to 3.5. TEM characterization of the biphasic samples allowed us to demonstrate that the Ca4V4O14 phase was grown epitaxially on the Vx‐HAp nanorods. The close intimacy between the two phases was confirmed by NMR suggesting the involvement of V4+ species. Consistently EPR data of the fresh and spent samples showed that V4+ species may be stabilized at the boundaries of these two phases. The strong promotion of the oxidative dehydrogenation reaction to propene observed from 723 K for the V4‐HAp‐pH‐per composition is attributed to a synergistic effect between the Vx‐HAp nanorods that enable the activation of propane and the Ca4V4O14 phase that helps the redox exchanges. This synergy may be attributed to an easier electron delocalization on the V4O14 units located at the phases’ boundaries.
Optimization and Engineering of Fatty Acid Photodecarboxylase for Substrate Specificity
Authors: Santner Paul , Szabó László Krisztián , Chanquia Santiago Nahuel , Merrild Aske Høj , Hollmann Frank , Kara Selin , Eser Bekir Engin
Published: July 2021

Fatty acid photodecarboxylase (FAP) is one of the few photoenzymes in nature. The ability of FAP to convert fatty acids into alka(e)nes without the need for reducing equivalents put this enzyme into spotlight for biocatalytic applications. Although it has been discovered only a few years ago, many studies already emerged demonstrating its potential in areas from biofuel production and enzymatic kinetic resolution to being a critical component of multi‐enzyme cascades. While there have been few protein engineering studies for modulating activity of FAP towards very short chain fatty acids, no study has yet addressed substrate selectivity within the medium to long chain fatty acid range, where FAP shows great promise for the synthesis of drop‐in biofuels from ubiquitous fatty acids with chain lengths from C12 to C18. Here, after determining optimum expression and assay conditions for FAP, we screened 22 rationally designed mutant enzymes towards four naturally abundant fatty acid substrates; C12 : 0, C16 : 0, C18 : 0 and C18 : 1. Depending on the type of the exchanged amino acid, we observed selectivity shifts towards shorter or longer chains, compared to wild type enzyme. Notably, we obtained two groups of mutants; one group with high selectivity towards only C18 : 0, and another group that is selective towards C12 : 0 substrate. Moreover, we measured light and thermal stability of the wild type enzyme as well as the light stability of a mutant engineered for selectivity.
H‐type indices with applications in chemometrics I: h‐multiple similarity index
Authors: Xu Lu , Yang Qin , Xu Qingsong
Published: July 2021

The h‐index was originally proposed to measure the impact of individuals' scientific output, based on their number of publications and citations. In this paper, a variant of h‐index was proposed as a multiple similarity measure and its applications in chemometrics were studied. To measure the multiple similarity among a set of variables or objects, both the pairwise similarity and the coverage of high pairwise similarity across variables or objects were considered and measured with the suggested h‐multiple similarity index (HMSI). HMSI was defined as: based on the pairwise similarity (between [0,1]) among all objects in a set, if at most M% of all the pairwise similarity values is no less than M%, then the HMSI value of the batch will be M%. For applications, HMSI was used in three chemometrics problems: (1) to compare the stability of marker selection results by different classification models in metabonomics; (2) to measure the batch consistency of herbal high‐performance liquid chromatography (HPLC) fingerprints; and (3) to evaluate multivariate calibration models based on cross validation. The results indicate that HMSI is a simple, robust, and effective index to measure multiple similarity and useful in chemometrics applications.
Selective Oxygen and Hydrogen Functionalization of the h‐BN/Rh(111) Nanomesh
Authors: Marie Freiberger Eva , Späth Florian , Bauer Udo , Düll Fabian , Bachmann Philipp , Steinhauer Johann , Hemauer Felix , Waleska Natalie J. , Schwaab Valentin , Steinrück Hans‐Peter , Papp Christian
Published: July 2021

We present detailed studies on the covalent adsorption of molecular oxygen and atomic hydrogen on the hexagonal boron nitride (h‐BN) nanomesh on Rh(111). The functionalization of this two‐dimensional (2D) material was investigated under ultra‐high vacuum conditions using synchrotron radiation‐based in situ high‐resolution X‐ray photoelectron spectroscopy, temperature‐programmed X‐ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy. We are able to provide a deep insight into the adsorption behavior and thermal stability of oxygen and hydrogen on h‐BN/Rh(111). Oxygen functionalization was achieved via a supersonic molecular beam while hydrogen functionalization was realized using an atomic hydrogen source. Adsorption of the respective species was observed to occur selectively in the pores of h‐BN leading to spatially defined modification of the 2D layer. The adsorption of the observed molecular oxygen species was found to be an activated process that requires high‐energy oxygen molecules. Upon heating to 700 K, oxygen functionalization was observed to be almost reversible except for small amounts of boron oxides evolving due to the reaction of oxygen with the 2D material. Hydrogen functionalization of h‐BN/Rh(111) was fully reversed upon heating to about 640 K.
Application Limits of the Ferrioxalate Actinometer**
Authors: Wriedt Benjamin , Ziegenbalg Dirk
Published: July 2021

Evaluating the efficiency of newly designed photoreactors is crucial for systematic development and optimization of photochemical processes. A suitable tool is actinometry, prominently represented by the most widely studied and applied ferrioxalate system. However, such measurements show reproducibility problems in the data consistency. This study scrutinizes these issues and approaches an experimental elucidation. An application limit for the ferrioxalate actinometer under intense irradiation was identified and experimentally validated. A drop of the quantum yield at high incident photon fluxes, generating high local concentrations of carboxyl radicals, leads to systematically wrong measurements. For reliable measurements with the ferrioxalate actinometry, a continuous operation mode or extensive mixing should be ensured.
Analysing and measuring the performance of memristive integrating amplifiers
Authors: Wang Jiaqi , Serb Alexantrou , Papavassiliou Christos , Maheshwari Sachin , Prodromakis Themis
Published: July 2021

Recording reliably extracellular neural activities is an essential prerequisite for the development of bioelectronics and neuroprosthetic applications. Recently, a fully differential, two‐stage, integrating pre‐amplifier was proposed for amplifying and then digitising neural signals. The amplifier featured a finely tuneable offset that was used as a variable threshold detector. Given that the amplifier is integrating, the DC operating point keeps changing during integration, rendering traditional analysis (AC/DC) unsuitable. In this work, we analyse the operation of this circuit and propose alternative definitions for validating the necessary key performance metrics, including gain, bandwidth, offset tuning range and offset sensitivity with respect to the memory states of the employed memristors. The amplification process is analysed largely through investigating the transient behaviour during the integration phase. This benchmarking approach is finally leveraged for providing useful insights and design trade‐offs of the memristor‐based integrating amplifier.
Resource allocation for energy efficiency optimization in uplink–downlink decoupled 5G heterogeneous networks
Authors: Khan Humayun Zubair , Ali Mudassar , Rashid Imran , Ghafoor Abdul , Naeem Muhammad , Khan Adnan Ahmed , Saddiqui Adil Masood
Published: July 2021

Heterogeneous networks (HetNets) are a practical solution for traffic offloading from a high powered base station (HBS) to a low powered base station (LBS). In the HetNets, uplink (UL)–downlink (DL) decoupled access (UDDa) strategy is an optimal solution that ensures cell association, independently, in the UL and DL. This strategy offloads HBS cell edge mobile device (MD) to the nearby LBS in the UL. However, energy‐efficient cell association for traffic offloading from HBS to LBS, relay, or device to device (D2D) in the UL employing UDDa strategy has not been explored in the past work. We formulate mathematical models which ensure energy‐efficient cell association, power allocation, and traffic offloading employing traditional UL‐DL coupled access (UDCa) and UDDa strategies in the HetNets. The formulated problems are concave fractional programming (CFP) problems. The CFP is changed to a concave optimization problem using Charnes–Cooper transformation (CCT). The transformed problems are solved using an outer approximation algorithm to obtain
optimal solution. Simulation results show the effectiveness of UDDa strategy over UDCa strategy in terms of MDs association, traffic offloading in the UL and DL, interference mitigation in the UL, data rate, and energy efficiency in the HetNets.
Conservation implications of genetic structure in the narrowest endemic quillwort from the Eastern Amazon
Authors: Dalapicolla Jeronymo , Alves Ronnie , Jaffé Rodolfo , Vasconcelos Santelmo , Pires Eder Soares , Nunes Gisele Lopes , Pereira Jovani Bernardino de Souza , Guimarães José Tasso F. , Dias Mariana C. , Fernandes Taís Nogueira , Scherer Daniela , dos Santos Fernando Marino Gomes , Castilho Alexandre , Santos Mirella Pupo , Calderón Emiliano Nicolas , Martins Rodrigo Lemes , da Fonseca Rodrigo Nunes , Esteves Francisco de Assis , Caldeira Cecílio Frois , Oliveira Guilherme
Published: July 2021

The quillwortIsoëtes cangaeis a critically endangered species occurring in a single lake in Serra dos Carajás, Eastern Amazon. Low genetic diversity and small effective population sizes (Ne) are expected for narrow endemic species (NES). Conservation biology studies centered in a single species show some limitations, but they are still useful considering the limited time and resources available for protection of species at risk of extinction. Here, we evaluated the genetic diversity, population structure,Ne, and minimum viable population (MVP) ofI. cangaeto provide information for effective conservation programs. Our analyses were based on 55 individuals collected from the Amendoim Lake and 35,638 neutral SNPs. Our results indicated a single panmictic population, moderate levels of genetic diversity, andNein the order of thousands, contrasting the expected for NES. Negative FISvalues were also found, suggesting thatI. cangaeis not under risk of inbreeding depression. Our findings imply thatI. cangaecontains enough genetic diversity to ensure evolutionary potential and that all individuals should be treated as one demographic unit. These results provide essential information to optimize ex situ conservation efforts and genetic diversity monitoring, which are currently applied to guideI. cangaeconservation plans.
Prey naïveté rather than enemy release dominates the relation of an invasive spider toward a native predator
Authors: Narimanov Nijat , Hatamli Kamal , Entling Martin H.
Published: July 2021

Ecosystems may suffer from the impact of invasive species. Thus, understanding the mechanisms contributing to successful invasions is fundamental for limiting the effects of invasive species. Most intuitive, the enemy release hypothesis predicts that invasive species might be more successful in the exotic range than resident sympatric species owing to the absence of coevolution with native enemies. Here, we test the enemy release hypothesis for the invasion of Europe by the North American spider Mermessus trilobatus. We compare the susceptibility of invasive Mermessus trilobatus and a native species with similar life history to a shared predator with which both species commonly co‐occur in Europe. Contrary to our expectations, invasive Mermessus trilobatus were consumed three times more frequently by native predators than their native counterparts. Our study shows that invasive Mermessus trilobatus is more sensitive to a dominant native predator than local sympatric species. This suggests that the relation between the invasive spider and its native predator is dominated by prey naïveté rather than enemy release. Further studies investigating evolutionary and ecological processes behind the invasion success of Mermessus trilobatus, including testing natural parasites and rapid reproduction, are needed to explain its invasion success in Europe.