bluuebunny/crossref_metadata_2025 huggingface dataset:
Avaliação da taxa de incidência anual de dengue no município de Salvador-BA entre anos de 2007 a 2019 e delineamento do perfil epidemiológico nos anos de 2011 e 2013
Authors: Neves Vera Caroline Stephanie , Espinheira Almeida Ivy De Figueiredo , Santana Rafael Oliveira , Miranda Samilly Silva
Published: December 2020

A incidência de dengue devido ao mosquito vetor Aedes aegypti vem aumentando significamente nos últimos anos e o seu crescimento endêmico na população mundial tem levado ao desenvolvimento de inúmeras pesquisas na área. Neste contexto, essa pesquisa teve por objetivo avaliar a taxa de incidência anual da dengue no município de Salvador-BA entre os anos de 2007 a 2019, de modo a descrever o perfil sociodemográfico da população acometida e traçar o perfil epidemiológico nos anos de 2011 e 2013 que correspondem, respectivamente, ao ano de maior e menor taxa de incidência da doença. Trata-se de um estudo epidemiológico cujos dados foram obtidos de fontes secundárias, como o Tabnet Salvador e incluindo variáveis sociodemográficas, clínicas e distribuição sazonal dos casos de dengue. Foram notificados 64.947 casos de dengue na região estudada durante o período de 2007 a 2019, cujos anos de 2011 e 2013 observou-se a predominância do nível de escolaridade fundamental/médio incompleto. O retrato geográfico da dengue deve servir de alerta sobre o comportamento da enfermidade, a fim de evidenciar a necessidade de medidas mais efetivas relativas às ações de controle, vigilância e tratamento da doença, sendo de fundamental importância o desenvolvimento de estratégias com enfoque na atenção primária à saúde objetivando a conscientização populacional através de ações educativas e abordagens midiáticas e fazendo-se necessário a compreensão do papel de fatores socioeconômicos e ambientais e suas importantes implicações para a implementação de medidas efetivas de prevenção e combate ao mosquito vetor.
Avaliação da deformação do preparo de superfície de implantes dentários submetidos a diferentes intensidades de torque
Authors: Schneider Luis Eduardo , Lora Luiz Henrique Puricelli , Da Silva Fernanda Santos , Pilger Alan Dal´Alba , Schneider Kalinka Crivellaro Crusius , Smidt Ricardo
Published: December 2020

O aprimoramento do processo de osseointegração faz com que investimentos em pesquisa e desenvolvimento de novos materiais e tratamentos de superfície sejam despendidos para promover a relação entre osso e implante. Uma das condições para o sucesso é a ausência de micromovimentos ou estabilidade primária da peça implantada. Fato esse que leva alguns cirurgiões a aplicar torques excessivos sobre o implante, podendo resultar em danos ao tratamento aplicado à superfície externa do implante. Objetivo: o presente trabalho investigou possíveis níveis de deformação do preparo de superfície conforme diferentes valores de torque foram aplicados à dois sistemas de implantes para avaliar os possíveis danos causados. Materiais e Métodos: foram instalados 5 implantes do sistema Dérig e 5 implantes do sistema Straumann em um bloco de poliuretano, para posterior remoção com contra-torque e avaliação da superfície sob o Microscópio Eletrônico de Varredura (MEV). Resultados: Nos resultados obtidos, no grupo de implantes Dérig não foi possível constatar evidências que comprovem que a elevação dos valores de torque aplicados aos implantes até 95 Ncm danifiquem ou alterem a estrutura do preparo de superfície externa dos implantes, contudo, no grupo Straumann, verificamos danos e alterações no preparo de superfície com torque progressivo a partir de 50 Ncm. Conclusão: possíveis alterações e danos ao preparo de superfície de implantes que apresentem rugosidade de superfície aumentada por jateamento podem ocorrer em torques acima de 50 Ncm empregados com o objetivo de aumentar sua estabilidade primária.
Avaliação de polimorfismo da enzima citocromo P450 em pacientes com síndrome antifosfolípide e seu impacto no controle da anticoagulação
Authors: Rodrigues Carlos Ewerton Maia , Carvalho Jozélio Freire de , Correia de Araujo Roberto Paulo Correia de
Published: December 2020

A Síndrome[U1]  Antifosfolípide é caracterizada por eventos trombóticos e perdas gestacionais de repetição e é considerada a trombofilia adquirida mais comum. Quando não está associada a alguma doença do tecido conectivo é dita primária e seu tratamento é baseado em anticoagulação por longo período com warfarin. Isso requer controle rigoroso do tempo de protrombina realizada pela monitoração dos valores de INR para que se evite em um extremo o risco de sangramento e em outro o risco de trombose. Embora investigações tenham identificado a influência de vários genes na resposta ao warfarin, a maioria das evidências sugere um papel mais importante para o polimorfismo de dois genes: o gene do citocromo P450(CYP)2C9   (CYP2C9)  e o gene do complexo redutase epóxido vitamina K 1 (VKORC1).  De fato, o warfarin é administrado como uma mistura racêmica de S- e R-warfarin e estes enantiômeros são extensivamente metabolizados no fígado por diferentes enzimas do citocromo P450(CYP), com a CYP2C9 servindo como a principal enzima no metabolismo da S-warfarin. Nesse sentido, a farmacogenética da terapia com warfarin é relevante para melhorar a segurança e a efetividade dessa terapia. Polimorfismos estruturais no gene CYP2C9 criam variantes alélicos que codificam enzimas com diferentes atividades catalíticas. As freqüências alélicas destes variantes diferem entre diferentes grupos étnicos, sem estudos no Brasil em pacientes com SAF.  Desse modo, o objetivo deste estudo é revisar os estudos avaliar a prevalência de polimorfismo gênico da enzima que metaboliza o warfarin (CYP) em

 [U1]Estruturar em introdução, objetivo, metodologia, resultados e conclusão
NÃO HÁ MAL QUE SEMPRE DURE
Authors: De Oliveira Marília Gerhardt
Published: December 2020

Há quatro anos, uma mulher brilhante, culta e altiva, jurista e política experiente e propositiva, Hillary Clinton, foi derrotada no colégio eleitoral estado-unidense (mesmo vitoriosa na totalização dos votos de cidadãos eleitores que participaram deste processo obsoleto se comparado com o das melhores Democracias do planeta Terra). Aceitável, face às regras vigentes, mas trágico pelo vencedor ter sido, ao longo de seu mandato, um nacionalista retrógrado em tempos de saudável globalização, um revisionista da História e um desrespeitador da Ciência (e de nossas inteligências: emocional, política e ética).
Maximum likelihood hierarchical least squares‐based iterative identification for dual‐rate stochastic systems
Authors: Li Meihang , Liu Ximei
Published: December 2020

For a dual‐rate sampled‐data stochastic system with additive colored noise, a dual‐rate identification model is obtained by using the polynomial transformation technique, which is suitable for the available dual‐rate measurement data. Based on the obtained model, a maximum likelihood least squares‐based iterative (ML‐LSI) algorithm is presented for identifying the parameters of the dual‐rate sampled‐data stochastic system. In order to improve the computation efficiency of the algorithm, the identification model of a dual‐rate sampled‐data stochastic system is divided into two subidentification models with smaller dimensions and fewer parameters, and a maximum likelihood hierarchical least squares‐based iterative (H‐ML‐LSI) algorithm is proposed for these subidentification models by using the hierarchical identification principle. The simulation results indicate that the proposed algorithms are effective for identifying dual‐rate sampled‐data stochastic systems and the H‐ML‐LSI algorithm has a higher computation efficiency than the ML‐LSI algorithm.
Metal‐Free Synthesis of Pyrrole‐imidazole Alkaloids via a Tandem C−N, C−C coupling Protocol
Authors: Sun Jian , Sun Haoyi , Hao Liqiang , Liu Hongyan , Zhang Zheng , Wen Fuqiang , Li Hongshuang , Duan Guiyun , You Guirong , Xia Chengcai
Published: December 2020

Herein, we present a strategy for the synthesis of pyrrole alkaloid derivatives through a tandem C−N, C−C coupling reaction employing 2‐pyrrole formaldehyde and proline as starting materials. This cyclization protocol is successfully applied to polarity‐controlled site‐selective and stereoselective C(sp3)−H hydrocarboxylation of proline derivatives, allowing for a remarkably streamlined synthesis of pyrrole alkaloid derivatives which have shown promising biological activities.

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Weed effects on the establishment and nutritive value of pastures with different annual/perennial ratio
Authors: LAvarello Herbin Agustina , Golluscio Rodolfo Ángel , Rodriguez Adriana Mabel
Published: December 2020

Livestock intensification is increasing weed invasion in pastures. We performed an experiment near Buenos Aires, Argentina, to evaluate the impact of weeds on temperate cultivated pastures. We sowed 1,700 viable seeds m–2 in 24, 1.5‐m2 plots. Each plot had seven sowed lines, three of legumes (red clover, Trifolium pratense L.; 50% of seeds) alternating with four of grasses arranged in two sowing designs differing in the annual/perennial ratio: 70% prairie grass (Bromus willdenowii Kunth, Bw, annual species) + 30% of orchardgrass (Dactylis glomerata L., Dg, perennial species) (>Bw), or 30% of Bw + 70% of Dg (>Dg). In the inter‐lines of each plot, we sowed the weed brown mustard (Brassica juncea L.) at four growing densities. At 123 d after sowing, we harvested aerial biomass of weeds and forage species (legume biomass was almost negligible at this date). We quantified aboveground net primary production (ANPP) of weeds and grasses (separated into blades, sheaths, and blades + sheaths), tiller density (indicating potential persistence), blade crude protein (CP), and neutral detergent fiber (NDF) concentrations of grasses.We made regressions to analyze the direct effect of weed biomass on each grass species, their indirect effects on the proportion of each species in the pasture, and their net effects on both species taken together. Weeds had negative direct and net effects. However, they did not have any indirect effect on species proportion. Pastures with lower annual/perennial ratio were more productive and potentially more persistent. Weeds also directly increased blade CP of the annual species.
Practical notes on building molecular graph generative models
Authors: Mercado Rocío , Rastemo Tobias , Lindelöf Edvard , Klambauer Günter , Engkvist Ola , Chen Hongming , Bjerrum Esben Jannik
Published: December 2020

Here are presented technical notes and tips on developing graph generative models for molecular design. Although this work stems from the development of GraphINVENT, a Python platform for iterative molecular generation using graph neural networks, this work is relevant to researchers studying other architectures for graph‐based molecular design. In this work, technical details that could be of interest to researchers developing their own molecular generative models are discussed, including an overview of previous work in graph‐based molecular design and strategies for designing new models. Advice on development and debugging tools which are helpful during code development is also provided. Finally, methods that were tested but which ultimately did not lead to promising results in the development of GraphINVENT are described here in the hope that this will help other researchers avoid pitfalls in development and instead focus their efforts on more promising strategies for graph‐based molecular generation.
Direct C(sp3)−H Sulfonylation and Sulfuration Reactions of Isoquinoline‐1,3(2H,4H)‐diones under Metal‐free Conditions
Authors: Wang Xing‐Lan , Bai Xue , Wu Chun‐Feng , Dong Yong‐Xi , Zhang Min , Fan Ling‐Ling , Tang Lei , Yang Yuan‐Yong , Zhang Ji‐Quan
Published: December 2020

The first direct C(sp3)−H bond sulfonylation and sulfuration reactions of isoquinoline‐1,3‐(2H,4H)‐diones have been developed under transition‐metal‐free conditions. Using air as the sole oxidant, the C‐4 sulfonylated products of isoquinolones were synthesized using sulfinates as the sulfonating agents and NaI as an iodine source in AcOH/DMSO. The sulfuration reaction was realized for the first time using disulfides as sulfurating partners in a t‐BuOK/DMF catalytic system. Both procedures undergo a free radical reaction process with the advantages of high atom economy, green reaction conditions, readily accessible materials and broad substrate scope.
Correspondence on “K2Sb(P2O7)F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance”
Authors: Krivovichev Sergey V. , Bindi Luca
Published: December 2020

Compounds with the fresnoite structure type possess remarkable chemical diversity and a range of unique physical properties, including nonlinear optical (NLO) activity. K2Sb(P2O7)F, which was reported recently, belongs to this group and its structure is not novel in terms of either the topology or local coordination geometry around the Sb3+ cations. The crystallographic disorder observed in the fresnoite‐type structures can be explained by twinning, which is frequent for non‐centrosymmetric crystals.
Preparation of PdAuCu/C as a Highly Active Catalyst for the Reduction of 4‐Nitrophenol by Controlling the Deposition of Noble Metals
Authors: Duan Ying , Ma Yangyang , Xie Yanfu , Li Dongmi , Deng Dongsheng , Zhang Chi , Yang Yanliang
Published: December 2020

The reasonable control of the dispersion of noble metals is an important topic for heterogeneous catalysts. In this manuscript, PdCu/C, AuCu/C and PdAuCu/C were prepared by the galvanic reduction method to ensure that Pd and Au follow the distribution of Cu nanoparticles. The catalysts were characterized by X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), energy‐dispersive spectrometer elemental mappings and lines scans. Both the Pd and Au had very high dispersion no matter whether they were introduced individually or simultaneously. The Pd and Au were distributed mainly on the Cu nanoparticles as evidenced by the energy‐dispersive spectrometer elemental mappings and lines scans. The reduction of 4‐nitrophenol was used as a model reaction for the prepared catalysts. PdCu/C and AuCu/C showed high activity for this reaction compared to the literature, and the activity could be further increased by the introduction of Pd and Au in an appropriate ratio at the same time. The normalized reaction rate reached 2.005 s−1 mM−1 for the PdAuCu/C‐2.0, in which the mole ratio of Pd to Au was 2.0.
The Comorbidity of Schizophrenia Spectrum and Mood Disorders in Autism Spectrum Disorder
Authors: Chien Yi‐Ling , Wu Chi‐Shin , Tsai Hui‐Ju
Published: December 2020

Individuals with autism spectrum disorder are often diagnosed with at least one or more accompanying disorders. Most studies reported prevalence of the psychiatric comorbidities among these individuals; however, the incidence of developing comorbidities is unclear. This study used Taiwan's claims database and aimed to investigate the incidence of developing major psychiatric comorbidities in individuals with autism spectrum disorder and whether the incidence was moderated by gender, autism‐spectrum disorder subtypes, and autism‐associated neurodevelopmental conditions. A total of 3,837 individuals with autism spectrum disorder (2,929 autistic disorder, 447 Asperger syndrome, 461 pervasive developmental disorder‐not otherwise specified) and 38,370 comparison subjects, who were matched by age and gender, were included. The incidences of schizophrenia spectrum, bipolar, and major depressive disorders was examined. The results showed that the incidences of schizophrenia spectrum (9.7 per 1,000 person‐year), bipolar disorder (7.0 per 1,000 person‐year), and major depressive disorder (3.2 per 1,000 person‐year) were significantly higher than the comparison group across all three subtypes of autism‐spectrum disorder. Individuals with pervasive developmental disorder‐not otherwise specified had higher risk for major depressive disorder than autistic disorder. Females with Asperger syndrome had significant higher risk for schizophrenia spectrum than males. The comorbidity rate dramatically dropped when the autism‐associated neurodevelopmental conditions were taken into account. Our findings suggested that the incidences of major psychiatric comorbidities were higher in autism spectrum disorder and influenced by autism subtypes, gender, and autism‐associated neurodevelopmental conditions.

Lay Summary

We examined whether people with autism spectrum disorder (ASD) have higher incidence of schizophrenia, bipolar disorders, and major depression using a large claims database. The results showed the incidences of these mental illness among individual with ASD were significantly higher than those without ASD. In addition, the incidences were influenced by autism subtypes, gender, and comorbid neurodevelopmental conditions.
PAMAM G4.5 dendrimers for targeted delivery of ferulic acid and paclitaxel to overcome P‐glycoprotein‐mediated multidrug resistance
Authors: Anbazhagan Rajeshkumar , Muthusamy Ganesan , Krishnamoorthi Rajakumari , Kumaresan Swedha , Rajendra Prasad Nagarajan , Lai Juin‐Yih , Yang Jen‐Ming , Tsai Hsieh‐Chih
Published: December 2020

In this study, we prepared ferulic acid (FA) and paclitaxel (PTX) co‐loaded polyamidoamine (PAMAM) dendrimers conjugated with arginyl–glycyl–aspartic acid (RGD) to overcome P‐glycoprotein (P‐gp)‐mediated multidrug resistance (MDR). FA was released in greater extent (80%) from the outer layer of the dendrimers compared with PTX (70%) from the interior of the dendrimers. FA improved intracellular availability of PTX via P‐gp modulation in drug‐resistant cells. In vitro drug uptake data show higher PTX delivery with RGD–PAMAM–FP than with PAMAM–FP in drug resistant KB CH‐R 8‐5 cell lines. This indicates that RGD facilitates intracellular PTX accumulation through active targeting in multidrug‐resistant KB CH‐R 8‐5 cells. The terminal deoxynucleotidyl transferase 2ʹ‐deoxyuridine 5ʹ‐triphosphate nick‐end labeling assay data and membrane potential analysis in mitochondria confirm the enhanced anticancer potential of RGD–PAMAM–FP nanoaggregates in drug‐resistant cells. We also confirmed by the increased protein levels of proapoptotic factors such as caspase 3, caspase 9, p53, and Bax after treatment with RGD–PAMAM–FP nanoaggregates and also downregulates antiapoptotic factors. Hence, FA–PTX co‐loaded, RGD‐functionalized PAMAM G4.5 dendrimers may be considered as an effective therapeutic strategy to induce apoptosis in P‐gp‐overexpressing, multidrug‐resistant cells.
Miniaturized electrochemical biosensor based on whole‐cell for heavy metal ions detection in water
Authors: Sciuto Emanuele L. , Petralia Salvatore , van der Meer Jan R. , Conoci Sabrina
Published: December 2020

The heavy metals pollution represents one of the important issues in the environmental field since it is involved in many pathologies from cancer, neurodegenerative, and metabolic diseases. We propose an innovative portable biosensor for the determination of traces of trivalent arsenic (As(III)) and bivalent mercury (Hg(II)) in water. The system implements a strategy combining two advanced sensing modules consisting in (a) a whole cell based on engineered Escherichia coli as selective sensing element towards the metals and (b) an electrochemical miniaturised silicon device with three microelectrodes and a portable reading system. The sensing mechanism relies on the selective recognition from the bacterium of given metals producing the 4‐aminophenol redox active mediator detected through a cyclic voltammetry analysis. The miniaturized biosensor is able to operate a portable, robust, and high‐sensitivity detection of As(III) with a sensitivity of 0.122 µA ppb−1, LoD of 1.5 ppb, and a LoQ of 5 ppb. The LoD value is one order of magnitude below of the value indicated to WHO to be dangerous (10 μg/L). The system was proved to be fully versatile being effective in the detection of Hg(II) as well. A first study on Hg(II) showed sensitivity value of 2.11 µA/ppb a LOD value of 0.1 ppb and LoQ value of 0.34 ppb. Also in this case, the detected LOD was 10 times lower than that indicated by WHO (1 ppb). These results pave the way for advanced sensing strategies suitable for the environmental monitoring and the public safety.
A mechanistic model to account for the Donnan and volume exclusion effects in ultrafiltration/diafiltration process of protein formulations
Authors: Yu Zhao , Moomaw John F. , Thyagarajapuram Nagarajan R. , Geng Steven B. , Bent Colin James , Tang Yu
Published: December 2020

Ultrafiltration/diafiltration (UF/DF) is a typical step in protein drug manufacturing process to concentrate and exchange the protein solution into a desired formulation. However, significant offset of pH and composition from the target formulation have been frequently observed after UF/DF, posing challenges to the stability, performance, and consistency of the final drug product. Such shift can often be attributed to the Donnan and volume exclusion effects. In order to predict and compensate for those effects, a mechanistic model is developed based on the protein charge, mass and charge balances, as well as the equilibrium condition across the membrane. The integrated UF/DF model can be used to predict both the dynamic behavior and the final outcome of the process. Examples of the modeling results for the pH and composition variation during the UF/DF operations are presented for two monoclonal antibody proteins. The model predictions are in good agreement with a comprehensive experimental data set that covers different process steps, protein concentrations, solution matrices, and process scales. The results show that significant pH and excipient concentration shifts are more likely to occur for high protein concentration and low ionic strength matrices. As a special example, a self‐buffering protein formulation shows unique pH behavior during DF, which could also be captured with the dynamic model. The capability of the model in predicting the performance of UF/DF process as a function of protein characteristics and formulation conditions makes it a useful tool to improve process understanding and facilitate process development.
Two New Limonoids from the Fruits of Melia azedarach (Meliaceae)
Authors: Wang Wen‐Qi , Xia Zhen‐Zhen , Yu Shao‐Hua , Tian Zhen‐Hua , Yan Bin , Jiang Hai‐Qiang , Zhou Hong‐Lei
Published: December 2020

Two new limonoids, trichilinin M (1) and ohchinin benzoate (2), along with two known limonoids, 12‐hydroxyamoorastatone (3) and mesendanin H (4), were isolated from the fruits of Melia azedarach Linn. The structures of new limonoids were determined by analyses of HR‐ESI‐MS, 1D and 2D NMR (HSQC, HMBC and NOESY) data. All compounds were evaluated against human pancreatic cancer PANC1 cells and the results showed that compounds 3–4 exhibited substantial cytotoxic activity (3: IC50=4.55 μM; 4: IC50=7.54 μM), and compounds 1–2 exhibited moderate cytotoxicity (1: IC50=27.06 μM; 2: IC50=21.17 μM).
Synthesis of Bi‐functional Immobilized Polymer Catalysts via a Two‐step Radiation‐induced Graft Polymerization Process
Authors: Okuno Yoshinori , Shibata Takako , Ohyou Akie , Suzuki Rie , Takegami Mayuko , Kato Satoshi , Isomura Shigeki , Aoki Shoji , Kanno Junichi , Sato Yasuo
Published: December 2020

Here, we designed and synthesized two types of bi‐functional immobilized polymer catalysts based on the prolineamide‐acid combination for direct enantioselective aldol reaction in flow systems. Conventional bi‐functional catalysts in which the two functions are present on the same graft polymer afforded up to 99 % yield and >99 % enantiomeric excess (ee) in a recirculating flow system. We also investigated bi‐functional catalysts in which the two functions are located on different graft polymers. We present a straightforward catalyst immobilization method that allows two different catalysts located on different graft polymers to be introduced separately onto the same polymer by conducting two successive steps of radiation‐induced graft polymerization process (RIGP). We confirmed that the graft polymers (grafted polycatalyst and polyacrylic acid chain) interact with each other to promote the aldol reaction with high conversion and ee. This design strategy may be superior to the conventional approach for synthesizing catalysts in which multiple functions interact.
Integrated Electro‐Biocatalysis for Amine Alkylation with Alcohols
Authors: Peñafiel Itziar , Dryfe Robert A. W. , Turner Nicholas J. , Greaney Michael F.
Published: December 2020

The integration of electro and bio‐catalysis offers new ways of making molecules under very mild, environmentally benign conditions. We show that TEMPO mediated electro‐catalytic oxidation of alcohols can be adapted to work in aqueous buffers, with minimal organic co‐solvent, enabling integration with biocatalytic reductive amination using the AdRedAm enzyme. The combined process offers a new approach to amine alkylation with native alcohols, a key bond formation in the chemical economy that is currently achieved via precious metal‐catalyzed hydrogen‐borrowing technologies. The electrobio transformation is effective for primary and secondary alcohols undergoing coupling with allyl, propargyl, benzyl, and cyclopropyl amines, and has been adapted for use with solid‐supported AdRedAm for ease of operation.
Sesquiterpenoids from the Whole Plants of Chloranthus holostegius and Their Anti‐inflammatory Activities
Authors: Zhan Zhao‐Chun , Wu Zhong‐Nan , Tang Qing , Li Can‐Jie , Wang Wen‐Zhi , Zhang Ji‐Hui , Zhuo Xue‐Fang , Zhang Yu‐Bo , Wang Guo‐Cai , Li Yao‐Lan
Published: December 2020

Main observation and conclusion

Five new sesquiterpenoids (1—5), chloranholides A—E, along with three known compounds (6—8), were isolated from the whole plants of Chloranthus holostegius. Their structures were elucidated using the spectroscopic methods (IR, UV, HR‐ESI‐MS, 1D and 2D NMR), and their absolute configurations were determined by the X‐ray crystallography and ECD calculation. Compounds 1—8 were evaluated for their anti‐inflammatory effects on LPS‐induced RAW 264.7 macrophage cells. Especially, compound 4 exhibited the most significant anti‐inflammatory activity with the secretion levels of TNF‐α and IL‐6 at 15.52% and 5.98%, respectively, better than that of dexamethasone.
Quality of Service‐aware matchmaking for adaptive microservice‐based applications
Authors: Štefanič Polona , Kochovski Petar , Rana Omer F. , Stankovski Vlado
Published: December 2020

Applications that make use of Internet of Things (IoT) can capture an enormous amount of raw data from sensors and actuators, which is frequently transmitted to cloud data centers for processing and analysis. However, due to varying and unpredictable data generation rates and network latency, this can lead to a performance bottleneck for data processing. With the emergence of fog and edge computing hosted microservices, data processing could be moved towards the network edge. We propose a new method for continuous deployment and adaptation of multi‐tier applications along edge, fog, and cloud tiers by considering resource properties and non‐functional requirements (e.g., operational cost, response time and latency etc.). The proposed approach supports matchmaking of application and Cloud‐To‐Things infrastructure based on a subgraph pattern matching (P‐Match) technique. Results show that the proposed approach improves resource utilization and overall application Quality of Service. The approach can also be integrated into software engineering workbenches for the creation and deployment of cloud‐native applications, enabling partitioning of an application across the multiple infrastructure tiers outlined above.
Enzymatic Synthesis of Glucose‐ and Xylose Laurate Esters Using Different Acyl Donors, Higher Substrate Concentrations, and Membrane Assisted Solvent Recovery
Authors: Martinez‐Garcia Marta , Dejonghe Winnie , Cauwenberghs Lieve , Maesen Miranda , Vanbroekhoven Karolien , Satyawali Yamini
Published: December 2020

Glucose‐ and xylose laurate esters are enzymatically synthesized using equimolar substrate concentrations in 2‐methyl‐2‐butanol, comparing free lauric acid with methyl‐ and vinyl‐laurate as acyl donors. All reactions result in ≥70% acyl donor conversions after 72 h but the activated donors are also partially hydrolyzed to lauric acid, highlighting the difficulty in controlling water presence in this particular reaction system. The esterification of xylose generates a complex product profile, with several regioisomers of monoesters and diesters. The esterification of glucose is quite selective, forming mainly the 6‐O monoester (≥96%) with a small presence of two diester isomers (4%). Increasing substrate concentration up to 800 millimoles kg−1 results in lower conversion values (down to 58%) but shows that the reaction proceeds successfully even in the presence of high amounts of insoluble glucose. However, the reaction is less selective and the proportion of diester increases, becoming up to 46% (molar fraction) of the final product. Solvent recovery after esterification can be achieved by organic solvent nanofiltration through a polymeric membrane able to retain ≥80% of all reaction substrates and products.

Practical Applications: The use of high substrate concentrations during the enzymatic synthesis of sugar ester biosurfactants leads to product titers that are more industrially appealing, without the need to find a solvent that can solubilize all initial substrate. The sustainability of the enzymatic conversion at mild temperatures can be enhanced by recycling of the reaction solvent through organic solvent nanofiltration, an energy efficient alternative to other traditional methods like distillation.
Hemin‐phytic Acid Functionalized Porous Conducting Polymer Hydrogel With Good Biocompatibility for Electrochemical Detection of H2O2 Released From Living Cells
Authors: Shang Xin , He Shaoying , Xu Zhiai , Lu Wei , Zhang Wen
Published: December 2020

A novel hemin/phytic acid doped polyaniline (PA‐PANI) hydrogel composite was prepared through a simple chemical and self‐assembly method, which was modified onto electrode for electrochemical detection of H2O2 released from living cells. It showed good analytical performance with high sensitivity, selectivity and a rapid response for the analysis of H2O2 in the range of 2 to 102 μM, with the detection limit of 1.2 μM. The favorable results mainly originated from both the high conductivity of PA‐PANI hydrogel and its network structure preventing hemin from self‐dimerization to provide active catalytic species. Furthermore, PA‐PANI with good biocompatibility allowed living cells to adhere and resulted in a short diffusion distance between H2O2 released from cells and electrode.
Experimental and numerical studies of seismic fluid‐structure interaction in a base‐supported cylindrical vessel
Authors: Mir Faizan Ul Haq , Yu Ching‐Ching , Whittaker Andrew S.
Published: December 2020

Seismic design and qualification of advanced reactors will rely heavily on the use of verified and validated numerical models capable of capturing the interaction of the vessel, its contained fluid, and the internal equipment: fluid‐structure interaction (FSI) analysis. Analytical solutions can be used for preliminary sizing and design of such vessels but their application is limited to simple geometries and boundary conditions, and small amplitude, translational (and rotational) inputs. To validate numerical models for seismic FSI analysis in finite element codes, a comprehensive set of experiments was performed on a liquid‐filled cylindrical vessel, using a 6 degree‐of‐freedom earthquake simulator. Results in terms of sloshing frequency, damping ratio in sloshing modes, and hydrodynamic responses (wave height, hydrodynamic pressure, base shear, and base moment) for multidirectional earthquake simulator inputs are reported and compared with analytical solutions for liquid‐filled vessels. The impact of seismic (base) isolation on hydrodynamic responses was studied using earthquake simulator inputs generated using a virtual isolation system. Data from the experiments are used to validate a numerical model of the fluid‐filled vessel using the Arbitrary Lagrangian Eulerian (ALE) solver in the commercial finite element program LS‐DYNA. Validation studies are presented for multidirectional seismic inputs, including rocking motions. Lagrangian modeling approaches using an elastic material formulation for the fluid are also investigated and their limitations and possible applications are identified. The results are broadly applicable to the seismic response of base supported, liquid‐filled vessels.
A novel method for the nondestructive classification of different‐age Citri Reticulatae Pericarpium based on data combination technique
Authors: Li Pao , Zhang Xinxin , Zheng Yu , Yang Fei , Jiang Liwen , Liu Xia , Ding Shenghua , Shan Yang
Published: December 2020

The quality of Citri Reticulatae Pericarpium (CRP) is closely correlated with the aging time. However, CRPs in different storage ages are similar in appearance, and the young CRP may be labeled as the aged one to obtain the excess profit by some unscrupulous traders. Most traditional analysis methods are laborious and time‐consuming, and they can hardly realize the nondestructive classification. In this paper, a novel method based on near‐infrared diffuse reflectance spectroscopy (NIRDRS) and data combination technique for the nondestructive classification of different‐age CRPs was proposed. The CRPs in different storage ages (5, 10, 15, 20, and 25 years) were measured. The near‐infrared spectra of outer skin and inner capsule were obtained. Principal component analysis (PCA), soft independent modeling of class analogy (SIMCA), and Fisher's linear discriminant analysis (FLD), with different data pretreatment methods, were used for the classification analysis. Data combination of the outer skin and inner capsule spectra was discussed for further improving the classification results. The results show that multiple sensors provide more useful and complementary information than a single sensor does for improving the prediction accuracy. With the help of data combination strategy, 100% prediction accuracy can be obtained with both second‐order derivative–FLD and continuous wavelet transform–multiplicative scatter correction–FLD methods.
Categorizing human vocal signals depends on an integrated auditory‐frontal cortical network
Authors: Roswandowitz Claudia , Swanborough Huw , Frühholz Sascha
Published: December 2020

Voice signals are relevant for auditory communication and suggested to be processed in dedicated auditory cortex (AC) regions. While recent reports highlighted an additional role of the inferior frontal cortex (IFC), a detailed description of the integrated functioning of the AC–IFC network and its task relevance for voice processing is missing. Using neuroimaging, we tested sound categorization while human participants either focused on the higher‐order vocal‐sound dimension (voice task) or feature‐based intensity dimension (loudness task) while listening to the same sound material. We found differential involvements of the AC and IFC depending on the task performed and whether the voice dimension was of task relevance or not. First, when comparing neural vocal‐sound processing of our task‐based with previously reported passive listening designs we observed highly similar cortical activations in the AC and IFC. Second, during task‐based vocal‐sound processing we observed voice‐sensitive responses in the AC and IFC whereas intensity processing was restricted to distinct AC regions. Third, the IFC flexibly adapted to the vocal‐sounds' task relevance, being only active when the voice dimension was task relevant. Forth and finally, connectivity modeling revealed that vocal signals independent of their task relevance provided significant input to bilateral AC. However, only when attention was on the voice dimension, we found significant modulations of auditory‐frontal connections. Our findings suggest an integrated auditory‐frontal network to be essential for behaviorally relevant vocal‐sounds processing. The IFC seems to be an important hub of the extended voice network when representing higher‐order vocal objects and guiding goal‐directed behavior.
Are the top six cryptocurrencies efficient? Evidence from time‐varying long memory
Authors: Keshari Jena Sangram , Tiwari Aviral Kumar , Doğan Buhari , Hammoudeh Shawkat
Published: December 2020

While gaining more popularity both as a financial asset and a commodity, a number of cryptocurrencies are emerging with a loosely regulated market microstructure which is a challenge to their efficiency. We have ranked 6 out of the top 10 cryptocurrencies based on their inefficiency ratios, using a novel time‐varying generalised Hurst exponent methodology. All the six crypto markets exhibit a time‐varying efficiency throughout the studied period, thus indicating a varying degree of exploitable profitable trading opportunities. The inefficiency ratio indicates that Bitcoin is the third most inefficient market, while the first and second most inefficient markets are DASH and NEM, respectively, thus they provide the most abnormal profit opportunities. However, the most efficient crypto markets are Ethereum and Ripple according to the order of their rankings. Further research could be performed on the factors affecting the inefficiency index to understand the efficiency determination of these cryptocurrency markets.
Multi‐scale inter‐temporal capital asset pricing model
Authors: Sakemoto Ryuta
Published: December 2020

This study investigates the multi‐scale inter‐temporal capital asset pricing model (ICAPM). We focus upon differences across timescales since they represent heterogeneities of investors in markets. This study employs a wavelet approach to decompose return data into multiple timescales. Furthermore, we impose a same risk‐aversion parameter constraint into all portfolios, which is proposed by Engle and Bali who show that the constraint provides a reasonable equity risk premium at a daily frequency. We observe positive relations between the expected returns on portfolios and the covariance of the market at a daily frequency, while these relations change as timescales increase. We find that a negative risk–return relation, which might be related to a correction process of overreaction at an approximately weekly frequency (2–16 days). The strongest positive relation is observed at an approximately monthly frequency (16–32 days). Monthly portfolio re‐balances are widely used and might impact stock market return patterns. The equity risk premium in the longer frequency ranges from 8.64 to 11.10%. Our results are robust after controlling for macroeconomic variables, market implied volatility and test portfolios. Moreover, we investigate size and value factors and reveal that the risk premia disappear in the longer frequency, which suggests that ICAPM is satisfied.
Qualitative evaluation of organic envelopes on subsurface drainage performance*
Authors: Khorramian Navid , Naseri Abdali , Nasab Saeed Borumand , Khoramian Hamid
Published: December 2020

The purpose of this study was to investigate the efficiency of organic matter such as rice husk and palm‐leaf stalk as envelopes in drainage pipes. For this purpose, to simulate field conditions in vitro, we used a physical model consisting of a plexiglass cylinder with a height of 200 mm and diameter of 100 mm, with five holes attached to the manometers and an inlet at the bottommost part and an outlet at the topmost part with a water tank which provided a fixed head. Experiments were carried out with five types of organic matter (i.e. rice husk, three types of powder and palm‐leaf fibres) on Ramshir agricultural soil which required envelopes according to existing standards. The results showed that among the envelopes utilized, the highest outflow (discharge) rate was related to powder No. 3 (the most coarse‐grained powder) in a gradient of 0.5. By increasing the gradient to 2, envelope hydraulic fracturing was observed, which means that it was unable to retain soil particles with finally an inadequate filtering function for this organic material. In gradient 2, the highest output discharge was related to palm stalk and leaf fibres, which is reflected in the proper hydraulic performance of this envelope and its high filtering properties. Finally, comparing the value of the gradient ratio in the higher gradients confirmed the results.
Long non‐coding RNA HULC protects against atherosclerosis via inhibition of PI3K/AKT signaling pathway
Authors: Mu Dan , Li Danyan , Li Jianhui , Yu Hongming , Chen Wenping , Liang Jing , Wang Dongmei , Li Aimei , Qing Zhao , Zhang Bing
Published: December 2020

Studies on the roles of long non‐coding RNA in atherosclerosis (AS) have been extensively explored. However, the action of lncRNA highly upregulated in liver cancer (HULC) in AS still needs in‐depth investigations. Hence, this study is launched towards the translation of HULC‐oriented mechanism in AS. Mouse AS models were established by high cholesterol and high fat feeding. AS mice were injected with restored HULC or phosphatidylinositide 3‐kinase/protein kinase B (PI3K/AKT) signaling pathway inhibitor to explore their roles in AS. Blood lipid, inflammation and oxidative stress were detected as well as HULC, PI3K, phosphated‐PI3K (p‐PI3K), AKT, p‐AKT, and aortic vascular cell apoptosis were determined. HULC was poorly expressed, p‐PI3K and p‐AKT were highly expressed in AS. HULC inhibited the PI3K/AKT signaling pathway. In AS, by inhibition of PI3K/AKT signaling pathway, restored HULC restrained atherosclerotic plaque formation, alleviated aortic intimal damage and reduced collagen fiber content in aorta, down‐regulated blood lipid levels, and inhibited inflammation, oxidative stress and aortic vascular cell apoptosis. Our study elucidates that HULC alleviates AS via inhibition of the PI3K/AKT signaling pathway, which provides a potential biomarker for treatment of AS.
HBV S antigen evolution in the backdrop of HDV infection affects epitope processing and presentation
Authors: Sajjad Mehwish , Ali Syed , Baig Samina , Sharafat Shaheen , Khan Bilal Ahmed , Khan Saeed , Mughal Nouman , Abidi Syed Hani
Published: December 2020

Introduction

HBV can evolve under selection pressure exerted by drugs and/or host immunity, resulting in accumulation of escape mutations that can affect the drug or the immune activity. Hepatitis delta virus (HDV) coinfection is also known to exert selection pressure on HBV, which leads to selective amplification of certain mutations, especially in genes that are required for HDV pathogenesis, such as HBsAg. However, little is known about the function of these mutations on HBV or HDV life cycle. The purpose of this study is to determine mutations selectively amplified in the backdrop of HDV, and how these mutations affect processing of CD4‐ and CD8‐T cell epitopes.

Methods

HBsAg was successfully amplified from 49/50 HBV mono‐ and 36/50 coinfected samples. The sequences were used to identify mutations specific to each study group, followed by an in silico analysis to determine the effect of these mutations on (1) proteasomal degradation, (2) MHC‐I and MHC‐II biding, and (3) processing of T‐cell epitopes.

Results

HBV‐HDV coinfected sequences exhibited certain unique mutations in HBsAg genes. Some of these mutations affected the generation of proteasomal sites, binding of HBsAg epitopes to MHC‐I and ‐II ligands, and subsequent generation of T‐ cell epitopes.

Conclusion

These observations suggest that HBV selectively amplifies certain mutations in the backdrop of HDV coinfection. Selective amplification of these mutations at certain strategic locations might not only enable HBV to counteract the inhibitory effects of HDV on HBV replication but also facilitate its survival by escaping the immune response.
Development and validation of a nomogram using on admission routine laboratory parameters to predict in‐hospital survival of patients with COVID‐19
Authors: Chen Hao , Chen Rudong , Yang Hongkuan , Wang Junhong , Hou Yuyang , Hu Wei , Yu Jiasheng , Li Hua
Published: December 2020

To develop and validate a nomogram using on admission data to predict in‐hospital survival probabilities of coronavirus disease 2019 (COVID‐19) patients. We analyzed 855 COVID‐19 patients with 52 variables. The least absolute shrinkage and selection operator regression and multivariate Cox analyses were used to screen significant factors associated with in‐hospital mortality. A nomogram was established based on the variables identified by Cox regression. The performance of the model was evaluated by C‐index and calibration plots. Decision curve analysis was conducted to determine the clinical utility of the nomogram. Six variables, including neutrophil (hazard ratio [HR], 1.088; 95% confidence interval [CI], [1.0004–1.147]; p < .001), C‐reactive protein (HR, 1.007; 95% CI, [1.0026–1.011]; p = .002), IL‐6 (HR, 1.001; 95% CI, [1.0003–1.002]; p = .005), d‐dimer (HR, 1.034; 95% CI, [1.0111–1.057]; p = .003), prothrombin time (HR 1.086, 95% CI [1.0369–1.139], p < .001), and myoglobin (HR, 1.001; 95% CI, [1.0007–1.002]; p < .001), were identified and applied to develop a nomogram. The nomogram predicted 14‐day and 28‐day survival probabilities with reasonable accuracy, as assessed by the C‐index (0.912) and calibration plots. Decision curve analysis showed relatively wide ranges of threshold probability, suggesting a high clinical value of the nomogram. Neutrophil, C‐reactive protein, IL‐6, d‐dimer, prothrombin time, and myoglobin levels were significantly correlated with in‐hospital mortality of COVID‐19 patients. Demonstrating satisfactory discrimination and calibration, this model could predict patient outcomes as early as on admission and might serve as a useful triage tool for clinical decision making.
Divergent impacts of land use/cover change on summer precipitation in easternChinafrom 1980 to 2000
Authors: Zhang Xuezhen , Chen Jiazhe , Song Shuaifeng
Published: December 2020

We conducted three pairs of 21‐year (1980–2000) experiments using the Weather Research and Forecast (WRF) model. The paired two experiment members were identical, except for the underlying land use/cover data, which were from the early 1980s and 2000 (hereafter, EXP1980 and EXP2000), respectivley. The differences in EXP1980 and EXP2000 were primarily induced by the land use/cover change (LUCC) from the early 1980s to 2000. To minimize the effects of WRF model uncertainties, the ensemble mean of three couples was applied. We found that the modifications of LUCC on summer precipitation over eastern China exhibited inter‐annual variability rather than kept fixed through 1980 to 2000. Due to the LUCC, the precipitation in eastern China may be decreased in 1981, 1984, 1986, 1988, 1989, and 1998 (hereafter, LR years) while increased in 1983, 1985, 1993, 1994, 1995, and 1999 (hereafter, MR years). Due to large discrepancy of large‐scale circulation background between MR years and LR years, there are different modifications by the LUCC on surface energy budget and therefore also on temperature, air pressure, water vapour supply and, eventually, precipitation. In the MR years, the LUCC induced increased evapotranspiration (i.e., latent heat) and decreased sensible heat over the middle and north partitions of eastern China; hence, there was a cooling effect. This cooling effect led to a decline in surface air pressure, thereby intensifying the ocean‐land pressure gradient; as a result, ocean‐to‐land movement of water vapour increased. Eventually, this led to increased precipitation. In the LR years, the LUCC induced significantly more sensible heat and slightly more latent heat over the north partition of eastern China, resulting in a warming effect. Then, the modifications to the surface air pressure and ocean‐land pressure gradient, as well as the water vapour flux, were reversed to those of the MR years, eventually leading to decreased precipitation.