bluuebunny/crossref_metadata_2025 huggingface dataset:
Nucleotide binding to the ATP-cone in anaerobic ribonucleotide reductases allosterically regulates activity by modulating substrate binding
Authors: Bimai Ornella , Banerjee Ipsita , Rozman Grinberg Inna , Huang Ping , Hultgren Lucas , Ekström Simon , Lundin Daniel , Sjöberg Britt-Marie , Logan Derek T
Published: August 2023

A small, nucleotide-binding domain, the ATP-cone, is found at the N-terminus of most ribonucleotide reductase (RNR) catalytic subunits. By binding adenosine triphosphate (ATP) or deoxyadenosine triphosphate (dATP) it regulates the enzyme activity of all classes of RNR. Functional and structural work on aerobic RNRs has revealed a plethora of ways in which dATP inhibits activity by inducing oligomerisation and preventing a productive radical transfer from one subunit to the active site in the other. Anaerobic RNRs, on the other hand, store a stable glycyl radical next to the active site and the basis for their dATP-dependent inhibition is completely unknown. We present biochemical, biophysical, and structural information on the effects of ATP and dATP binding to the anaerobic RNR from Prevotella copri. The enzyme exists in a dimer–tetramer equilibrium biased towards dimers when two ATP molecules are bound to the ATP-cone and tetramers when two dATP molecules are bound. In the presence of ATP, P. copri NrdD is active and has a fully ordered glycyl radical domain (GRD) in one monomer of the dimer. Binding of dATP to the ATP-cone results in loss of activity and increased dynamics of the GRD, such that it cannot be detected in the cryo-EM structures. The glycyl radical is formed even in the dATP-bound form, but the substrate does not bind. The structures implicate a complex network of interactions in activity regulation that involve the GRD more than 30 Å away from the dATP molecules, the allosteric substrate specificity site and a conserved but previously unseen flap over the active site. Taken together, the results suggest that dATP inhibition in anaerobic RNRs acts by increasing the flexibility of the flap and GRD, thereby preventing both substrate binding and radical mobilisation.
Three-dimensional single-cell transcriptome imaging of thick tissues
Authors: Fang Rongxin , Halpern Aaron R. , Rahman Mohammed Mostafizur , Huang Zhengkai , Lei Zhiyun , Hell Sebastian J. , Dulac Catherine , Zhuang Xiaowei
Published: August 2023

Multiplexed error-robust fluorescence
in-situ
hybridization (MERFISH) allows genome-scale imaging of RNAs in individual cells in intact tissues. To date, MERFISH has been applied to image thin tissue samples of ∼10-µm thickness. Here, we present a method to enable three-dimensional (3D) single-cell transcriptome imaging of thick tissue specimens by integrating MERFISH with confocal microscopy for optical sectioning and deep learning for increasing imaging speed and quality. We demonstrated 3D MERFISH on mouse brain tissue sections of up to 200 µm thickness with high detection efficiency and accuracy. We anticipate that 3D thick-tissue MERFISH imaging will broaden the scope of questions that can be addressed by spatial genomics.
A comparative study of different variable selection methods based on numerical simulation and empirical analysis
Authors: Hou Dake , Zhou Wenli , Zhang Qiuxia , Zhang Kun , Fang Jiaqi
Published: August 2023

This study employs the principles of computer science and statistics to evaluate the efficacy of the linear random effect model, utilizing Lasso variable selection techniques (including Lasso, Elastic-Net, Adaptive-Lasso, and SCAD) through numerical simulation and empirical research. The analysis focuses on the model’s consistency in variable selection, prediction accuracy, stability, and efficiency. This study employs a novel approach to assess the consistency of variable selection across models. Specifically, the angle between the actual coefficient vectorβand the estimated coefficient vector $\hat {\beta }$ is computed to determine the degree of consistency. Additionally, the boxplot tool of statistical analysis is utilized to visually represent the distribution of model prediction accuracy data and variable selection consistency. The comparative stability of each model is assessed based on the frequency of outliers. This study conducts comparative experiments of numerical simulation to evaluate a proposed model evaluation method against commonly used analysis methods. The results demonstrate the effectiveness and correctness of the proposed method, highlighting its ability to conveniently analyze the stability and efficiency of each fitting model.
Knowledge graph augmentation: consistency, immutability, reliability, and context
Authors: Takan Savaş
Published: August 2023

A knowledge graph is convenient for storing knowledge in artificial intelligence applications. On the other hand, it has some shortcomings that need to be improved. These shortcomings can be summarised as the inability to automatically update all the knowledge affecting a piece of knowledge when it changes, ambiguity, inability to sort the knowledge, inability to keep some knowledge immutable, and inability to make a quick comparison between knowledge. In our work, reliability, consistency, immutability, and context mechanisms are integrated into the knowledge graph to solve these deficiencies and improve the knowledge graph’s performance. Hash technology is used in the design of these mechanisms. In addition, the mechanisms we have developed are kept separate from the knowledge graph to ensure that the functionality of the knowledge graph is not impaired. The mechanisms we developed within the scope of the study were tested by comparing them with the traditional knowledge graph. It was shown graphically and with t-test methods that our proposed structures have higher performance in terms of update and comparison. It is expected that the mechanisms we have developed will contribute to improving the performance of artificial intelligence software using knowledge graphs.
Determinants of municipal tax rates: empirical evidence in the portuguese context
Authors: E Soares Ricardo de Moraes , Reis Hélder , Catarino João Ricardo
Published: August 2023

The municipality is the circumscription of the territory in which citizens, associated by common relations (locality, work and traditions) live under an autonomous organisation, for economic, administrative and cultural purposes. The powers to define the tax burden in each municipality raise the question of municipal competitiveness. This study aims to analyse the determinants of municipalities' tax policy options, at the level of municipal tax attractiveness. Presently, the attribution of tax powers has extended to the sphere of local power, where municipalities can decide, in relation to their taxes, to grant tax benefits and reduce the municipal tax burden, that is, tax policy has become a general policy instrument of local authorities. In this context, supported by an international dogma favourable to the increasing attribution of administrative and financial autonomy, the fiscal competence of Portuguese municipalities has been extended. In this exploratory study, we analysed the impact of the municipal competence of annual differentiation of the tax burden as a way to observe the ability of local actors to increase municipal competitiveness and local development.
Estudo de viabilidade: hospedagem de alunos indígenas em curso de alternância na UFGD
Authors: Valverde Nathalia Taquette , Candido Karen Ayumi Kubota , Noriller Rafael Martins , Da Silva Josimar Pires , Correa Alexandre de Souza
Published: August 2023

Resumo: Este trabalho, através da utilização de modelos quantitativos de análise de viabilidade econômica, entre eles VPL e VAUE, realizou estudos com o intuito de verificar qual seria o qual a proposta mais vantajosa para a administração da UFGD entre construir ou contratar serviços de hospedagem. Foi realizado um levantamento dos custos envolvidos na administração de um novo prédio, entre eles energia elétrica, água e esgoto, limpeza e vigilância patrimonial, foi também elaborado um projeto básico a fim de levantar os custos de construção e o tempo para a execução do Projeto. Em paralelo foi realizado o levantamento dos custos que a instituição teve como hospedagem nos últimos doze meses. A partir dos dados foram elaborados os fluxos de caixa, corrigidos pelo IPCA e foram feitos os cálculos de VPL, VAUE e 11.500 simulações de Monte Carlo. Conclui-se que a hospedagem é mais vantajosa para Administração Pública no âmbito financeiro. Por fim, seria interessante a administração pública considerar a utilização do espaço para construção com outras finalidades complementares.
Conceitos e tipologias de inovação: uma revisão bibliométrica
Authors: Campos Juliana Alves , Silva Rosângela Sarmento , Corrêa Rúbia Oliveira , De Carvalho Gustavo Dambiski Gomes , Carvalho Agair Juliete Cavalcante
Published: August 2023

O objetivo deste trabalho é fornecer uma revisão bibliométrica das tipologias e conceitos da inovação, a partir de estudos clássicos à atualidade, para verificar a evolução desse termo, ou seja, da inovação. Para isso, os trabalhos estão divididos em clássicos (1934 até 2016) e recentes (2017 até 2021). As etapas da análise das obras seguem a seguinte sequência: (1) delimitação do tema de pesquisa – conceitos e tipologias para a inovação; (2) escolha da fonte de dados - SciELO Citation Index (Web of Science); (3) escolha da palavra-chave - “innovation”; (4) seleção dos artigos – 897 artigos indicados inicialmente pela base de dados; (5) análise dos artigos selecionados – 209 artigos adequados ao propósito; (6) análise de redes - coocorrência de palavras-chave e cocitação por meio do software VosViewer. Em seguida, uma análise minuciosa sobre o conceito de inovação é efetivada. A leitura dos 897 artigos fornecidos pela SciELO, com base nos critérios desta pesquisa, leva à observação de que o conceito de inovação sofreu uma evolução significativa. Essa ascensão acompanha as mudanças tecnológicas ocorridas na segunda revolução industrial (iniciada no final do século XIX, entrando pelo século XX) e na revolução digital (a partir de 1960), conforme Schwab (2016). Concluiu-se que, embora não haja consenso sobre uma única definição, o termo e as tipologias para a inovação devem ser utilizadas de forma sistemática, para que a aplicação indiscriminada do termo não deturpe o real significado de um conceito tão importante e necessário para a ciência.  A confrontação entre obras recentes e clássicas objetiva averiguar a evolução dos estudos e fornecer uma visão ampla sobre relação teórica ao longo do tempo e ressalta que, embora as novas tecnologias venham ganhando espaço notório na sociedade, elas não devem ser sinônimos de inovação, já que esta possui um conceito muito mais complexo e abrangente devendo ser vista também pelo o aspecto do ambiente e dos serviços, por exemplo, como apregoa o Manual de Oslo e conforme Crossan e Apaydin (2010).
O consumo visto por diferentes perspectivas: uma análise das opiniões dos gestores de marketing, gestores de entidades de defesa do consumidor e consumidores
Authors: Bertuolo Claudemir , Minciotti Silvio Augusto
Published: August 2023

O consumo comporta diversas discussões teóricas e posicionamentos quanto a liberdade e racionalidade do consumidor no consumo, bem como o seu poder frente às empresas.  O artigo tem como objetivo conhecer o que pensam gestores de marketing, gestores de entidades de defesa do consumidor e consumidores sobre o consumo quanto à liberdade, razão e poder. Como metodologia fez-se uma pesquisa qualitativa na primeira etapa, com o uso de um roteiro de entrevistas semiestruturadas e da técnica de análise de conteúdo. A partir dos resultados da fase qualitativa, foi realizada uma pesquisa do tipo survey, com o uso de um formulário estruturado junto a consumidores da cidade de Goiânia/GO. Para a análise estatística utilizou-se o software “SPSS V 21”. Os resultados principais dão conta de que para os gerentes de marketing o consumidor é livre, age pela emoção no ato de consumo e é o ente mais forte na relação empresa-consumidor. Para os gestores de entidade defesa do consumidor, o consumidor não é livre, não pensa antes de comprar e é o mais fraco frente às empresas. Já os consumidores se dizem livres e racionais e reconhecem que há um equilíbrio de forças na relação com as empresas.
Analyzing the Trend, Change and Fluctuation in Area, Production and Productivity of Coriander in Different Districts of Chhattisgarh, India
Authors: Kabiraj Prakash , Rajak Suneel Kumar
Published: August 2023

Coriander is first largest grown spice in the country during 2020-21 India accounting for 64.41 per cent (1430 thousand metric tones). The absolute change in area of coriander grown in Mahasamund district was found to be maximum (1.07 thousand hectare) and overall Chhattisgarh state have found 8.12 thousand hectare.  Korba district was the highest relative change in area of coriander grown 398.92 per cent and overall Chhattisgarh state have 130.11 per cent. Mahasamund district had the greatest absolute change and relative change in coriander production (10.47 thousand tones and 44875.72%, respectively), Chhattisgarh state was found to be 46.66 thousand tones and 314.27 per cent, respectively. In Mahasamund district, the absolute and relative change in coriander productivity was found to be the greatest (8.72 thousand tones and 3128.38%) Chhattisgarh state was found 1.47 thousand tones and 57.53 per cent. The area and production was found to be minimum and more stable in Surguja district (17.80% and 41.48%) and overall Chhattisgarh state have found 37.36 and 57.12 per cent,   respectively. The productivity was found to be minimum and more stable in Raighar district (25.46%) and more variable in Mahasamund (82.22%). Variability in productivity of overall Chhattisgarh state have found to be 25.83 per cent. Simple growth rate in area, production and productivity of coriander was found to be maximum in Mahasamund district (14.92, 21.12 and  14.70%) and overall Chhattisgarh state have found 5.50, 8.51 and 3.56 per cent, respectively. Trend in area of all coriander grown districts had shown positive and highly significant except Raigharh district. For the production of all coriander gown districts had show positive and highly significant except Rajnandgaon district.
Risk Assessment of Outdoor Gamma Radiation in Some Coastal Communities of Delta State, Nigeria
Authors: Furo Evelyn V. , Hart I. A. , Ononugbo Chinyere P.
Published: August 2023

An assessment of background ionization radiation and associated health risk in some coastal communities of Delta State, Nigeria was carried out using a well calibrated portable radiation detector (Radalert-200) and GPS (Garmin GPS 72H) for the measurement of the geographical locations. The study covered Abiteye and Anotech Jetty water ways with nine notable communities assessed, where marine transportation and equipment haulage are predominant. The exposure rates ranged from 0.011 to 0.019 mRh−1 with overall mean value of 0.015 ± 0.002 mRh−1. The computed absorbed dose rates ranged from 95.70 to 165.30 nGyh-1 with overall mean                         value of 132.46 ± 19.05 nGyh-1. The estimated overall mean annual effective dose equivalent (AEDE) for the studied communities was 0.203±0.03 mSvy-1, while the overall mean excess lifetime cancer risk (ELCR) was (0.710±0.10) x10-3. The dose received by organs was highest in the testes (18%), the ovaries received 13%, while the liver had the lowest dose values (10%). Among all the estimated risk parameters, only the overall mean AEDE was found to be below the safe world recommended standard value while others were higher than their respective safe world average values. Hence the exposure may not constitute any immediate health risk to the resident of the study area.
Exploring the Landscape of Web Data Mining: An In-depth Research Analysis
Authors: Choudhary Laxmi , Swami Shashank
Published: August 2023

The exponential growth of Web services and Web-based applications has led to an enormous volume of data, providing a rich source for mining valuable insights. Web mining differs from traditional data mining due to the unique nature of the data it handles. Web data exists in diverse forms, including web server logs, news pages, and hyperlinks. As the usage of the internet continues to surge, web mining has become essential to extract meaningful information and patterns from these varied data sources. Traditional data mining methods may not be directly applicable to web data due to its unstructured and heterogeneous nature. Web server logs contain valuable information about user interactions, click-streams, and user preferences, which can be mined to understand user behavior and improve website performance. News pages and other forms of web content are valuable sources for sentiment analysis, topic modeling, and information retrieval, helping businesses and researchers gain insights into public opinions and trends. Additionally, web structure mining deals with the analysis of hyperlinks, enabling the discovery of relationships between web pages and identifying authoritative sources. The continuous growth of web-based data necessitates the use of specialized methods in web mining to effectively extract knowledge and valuable patterns. Researchers and practitioners in this field are constantly exploring innovative techniques to make sense of the vast amount of data available on the World Wide Web. The paper provides web mining techniques on web data and presenting the latest advancements, researchers and practitioners can gain insights into the state of the field and identify potential areas for further exploration. This paper also reports the comparisons and summary of various methods of web data mining with applications, which gives the overview of development in research and some importantresearch issues.
Study on Enhancing Training Efficiency of MARL for Swarm Using Transfer Learning
Authors: Yi Seulgi , Kim Kwon-Il , Yoon Sukmin
Published: August 2023

Swarm has recently become a critical component of offensive and defensive systems. Multi-agent reinforcement learning(MARL) empowers swarm systems to handle a wide range of scenarios. However, the main challenge lies in MARL’s scalability issue - as the number of agents increases, the performance of the learning decreases. In this study, transfer learning is applied to advanced MARL algorithm to resolve the scalability issue. Validation results show that the training efficiency has significantly improved, reducing computational time by 31 %.
Desigualdades salariais no mercado de trabalho formal do Rio Grande do Sul - 2000 a 2017
Authors: Brito Miyamoto Bruno Cesar , Schmitz Ataiz Regina , Da Silva Filho Luís Abel
Published: August 2023

O mercado de trabalho formal do Rio Grande do Sul é marcado por significativas desigualdades salariais. Parte desses diferenciais de rendimentos é determinada por fatores socioeconômicos individuais como nível de escolaridade, setor de ocupação, concentração regional da atividade econômica, sexo e raça. Utilizando microdados da Relação Anual de Informações Sociais (RAIS), mantida pelo Ministério da Economia, este artigo teve como objetivo analisar os determinantes socioeconômicos e demográficos dos diferenciais de rendimentos no mercado de trabalho formal do Rio Grande do Sul no período de 2000 a 2017. Para atingir esse objetivo a equação minceriana de salários foi estimada pelo método de Mínimos Quadrados Ordinários (MQO) e em seguida foi aplicada a regressão quantílica para captar os efeitos de fatores individuais na distribuição condicional dos salários. Os principais resultados mostram que houve uma redução dos diferenciais de rendimentos determinados por sexo, cor, nível de escolaridade, tempo de permanência no emprego e mesorregião. Essa redução ocorreu em diferentes níveis de distribuição da variável salário, afetando, portanto, ocupações de baixa, média e alta remuneração.
Effect of a Nutrition Intervention on Mediterranean Diet Adherence Among Firefighters
Authors: Hershey Maria Soledad , Chang Chia-Rui , Sotos-Prieto Mercedes , Fernandez-Montero Alejandro , Cash Sean B. , Christophi Costas A. , Folta Sara C. , Muegge Carolyn , Kleinschmidt Vanessa , Moffatt Steven , Mozaffarian Dariush , Kales Stefanos N.
Published: August 2023

Importance

US firefighters are a working population at risk of chronic diseases, including obesity, cardiovascular disease, and cancer. This risk may be mitigated by a healthy diet.

Objective

To evaluate the effect of a Mediterranean nutrition intervention using a behavioral/environmental approach (firefighter/fire station/home) at the individual participant level.

Design, Setting, and Participants

This 12-month cluster randomized clinical trial included US career firefighters from fire stations and homes within 2 Indiana fire departments. Participants were randomized by fire station to either Mediterranean diet or control (usual care). The study was conducted from October 2016 to December 2019, and data were analyzed in November 2022.

Intervention

For the first 12 months of the study, firefighters located at fire stations randomized to the intervention group were provided with access to supermarket discounts and free samples of Mediterranean diet foods, online nutrition education platforms, email announcements and reminders, family and peer education and support, and chef demonstrations. Firefighters in fire stations allocated to the control group received no intervention and were instructed to follow their usual diet.

Main Outcomes and Measures

Change in dietary habits at 12 months as measured by a modified Mediterranean diet score (range, 0 to 51 points) at baseline and 6-month and 12-month follow-up. Cardiometabolic parameters were secondary outcomes.

Results

Of 485 included firefighters, 458 (94.4%) were male, and the mean (SD) age was 47 (7.5) years. A total of 241 firefighters (27 fire stations) were randomized to the Mediterranean nutrition intervention, and 244 (25 fire stations) were randomized to usual diet. Outcomes were analyzed using generalized linear mixed models for modified Mediterranean diet score at 6 months (n = 336) and 12 months (n = 260), adjusting for baseline age, sex, race and ethnicity, fire department, physical activity, and waist circumference. In the intervention group compared with the control group, the modified Mediterranean diet score significantly increased by 2.01 points (95% CI, 0.62-3.40; P = .005) at 6 months and by 2.67 points (95% CI, 1.14-4.20; P = .001) at 12 months. Among secondary outcomes, changes in cardiometabolic risk factors were not statistically significant at 1 year. Results from analyses with multilevel multiple imputation for missingness were similar.

Conclusions and Relevance

In this Mediterranean nutrition intervention of multicomponent behavioral/environmental changes, career firefighters had increased adherence to a Mediterranean diet.

Trial Registration

ClinicalTrials.gov Identifier: NCT02941757
Printed Divisional Optical Biochip for Multiplex Visualizable Exosome Analysis at Point‐of‐Care
Authors: Yang Xu , Zhang Zeying , Wu Yuanbin , Wang Huadong , Yun Yang , Sun Yali , Xie Hongfei , Bogdanov Bogdan , Senyushkin Pavel , Chi Jimei , Lian Zewei , Wu Dongdong , Su Meng , Song Yanlin
Published: August 2023

Rapid detection of various exosomes is of great significance in early diagnosis and postoperative monitoring of cancers. Here, a divisional optical biochip is reported for multiplex exosome analysis via combining the self‐assembly of nanochains and precise surface patterning. Arising from resonance‐induced near‐field enhancement, the nanochains show distinct color changes after capturing target exosomes for direct visual detection. Then, a series of divisional nanochain‐based biochips conjugated with several specific antibodies are fabricated through designed hydrophilic and hydrophobic patterns. Because of the significant wettability difference, one sample droplet is precisely self‐splitting into several microdroplets enabling simultaneous identification of multiple target exosomes in 30 min with a sensitivity of 6 × 107 particles mL−1, which is about two orders lower than enzyme‐linked immunosorbent assay. Apart from the trace amount detection, excellent semiquantitative capability is demonstrated to distinguish clinical exosomes from glioblastoma patients and healthy people. This method is simple, versatile, and highly efficient that can be extended as a diagnostic tool for many diseases, promoting the development of liquid biopsy.
Analysis of Gas Mixtures with Broadband Dual Frequency Comb Spectroscopy and Unsupervised Learning Neural Network
Authors: Tian Linbo , Kolomenskii Alexandre A. , Schuessler Hans A. , Zhu Feng , Xia Jinbao , Zhang Sasa
Published: August 2023

Broadband mid‐infrared spectroscopy not only offers supreme sensitivity for the massively parallel detection of trace gases but also presents many challenges. Herein, a new platform combining the advantages of a mid‐infrared dual‐comb spectrometer based on two difference‐frequency generation combs pumped by femtosecond Er‐doped fiber comb oscillators and an unsupervised deep learning neural network consisting of information extraction and information mapping blocks is presented. The scarce data problem, the uncertainties of apparatus, and manual operations intrinsic to multicomponent gas mixture analysis are overcome by coupling an unsupervised leaning approach with a model‐agnostic, physics‐informed data augmentation strategy using simulated data from spectral databases. The system provides reliable simultaneous identification of gas species, concentration retrieval, as well as ambient pressure prediction and eliminates the negative impacts on the measurement, such as model error, baseline fluctuation, and unknown absorbers. Parallel optical detection of 31 different mixtures of 5 gas species over a 2900–3100 cm−1spectral range with a sub part‐per‐billion sensitivity is demonstrated showing the potential in various applications such as atmospheric monitoring, diagnostics with breath biomarkers, and capturing rapid chemical reaction kinetics.
Harnessing Aromatic‐Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification
Authors: Yu Zhen , Kreitler Dale F. , Chiu Yin Ting T. , Xu Ruiwen , Bruchs Austin T. , Bingman Craig A. , Gellman Samuel H.
Published: August 2023

Peptide engineering efforts have delivered drugs for diverse human diseases. Side chain alteration is among the most common approaches to designing new peptides for specific applications. The peptide backbone can be modified as well, but this strategy has received relatively little attention. Here we show that new and favorable contacts between a His side chain on a target protein and an aromatic side chain on a synthetic peptide ligand can be engineered by rational and coordinated side chain modification and backbone extension. Side chain modification alone was unsuccessful. Binding measurements, high‐resolution structural studies and pharmacological outcomes all support the synergy between backbone and side chain modification in engineered ligands of the parathyroid hormone receptor‐1, which is targeted by osteoporosis drugs. These results should motivate other structure‐based designs featuring coordinated side chain modification and backbone extension to enhance the engagement of peptide ligands with target proteins.
Synthesis of Axially Chiral QUINAP Derivatives by Ketone‐Catalyzed Enantioselective Oxidation
Authors: Jiang Peng‐Ying , Wu San , Wang Guan‐Jun , Xiang Shao‐Hua , Tan Bin
Published: August 2023

QUINAPs have emerged as a pivotal class of axially chiral compounds with remarkable features in the stereoinduction of diverse enantioselective transformations. However, the confined substrate range and extravagant price still pose challenges, limiting their broader utilization. Herein, we describe the first atroposelective oxidation of an N atom using a chiral ketone catalyst, allowing the kinetic resolution of QUINAPOs to give both the unreacted substrates and their corresponding N‐oxides with excellent enantioselectivity. Importantly, the enantioenriched products can be readily converted into the QUINAP targets without any loss of stereochemical integrity. Mechanistic investigations indicate that a dioxirane, generated through the oxidation of the ketone with oxone, acts as the active catalytic species. Furthermore, we have successfully extended this catalytic system to the kinetic resolution of QUINOLs and the dynamic kinetic transformation of pyridine analogues of QUINAPO possessing a labile stereogenic axis. The practicality of the developed protocol is further demonstrated by the successful application of QUINAPO N‐oxide as a Lewis base catalyst in a series of enantioselective transformations.
Reducing ammonia permeance in poly(acrylonitrile‐co‐butadiene) (NBR)‐based elastomers
Authors: Zhang Yuecheng , Kentish Sandra , Scholes Colin A.
Published: August 2023

Ammonia (NH3) has emerged as a sustainable future fuel for a low‐carbon future. Ideally, the transportation and storage of ammonia in re‐purposed natural gas networks will dramatically reduce the economic burden associated with converting to ammonia. However, the highly condensable nature and small kinetic diameter of the ammonia means that this fuel readily permeates through the polymer‐based elastomers and gaskets used in natural gas infrastructure. To mitigate this issue, three kinds of additives have been incorporated into the conventional natural gas elastomer poly(acrylonitrile‐co‐butadiene) (NBR) to reduce ammonia permeance. The first is based on increasing the basicity of the elastomer environment, the second provides chemical reactivity with ammonia to limit transport, and the third uses barrier additives to prevent diffusion. The mechanical properties of the modified elastomers; expressed as the tensile stress at yield and Young's modulus were studied. The creation of a basic environment through the addition of amines resulted in moderate changes in ammonia permeability, with up to 50% reduction of ammonia permeability observed from putrescine added NBR. Chemical additives lowered the permeability by up to 20% with limited impact on the tensile properties. The addition of 3% graphene oxide to NBR had the most significant decrease in ammonia permeability, 80%, but also produced a more rigid material. The investigation shows that ammonia permeability can be significantly reduced in NBR elastomers, through the addition of inexpensive additives in tailored strategies.
Recurrent staphylococcal scalded skin syndrome in a 20‐month old—A case report
Authors: Basurto Camille , Baah‐Owusu Nada , Berreth Kyla
Published: August 2023

Key Clinical Message

We present a case of a 20‐month‐old child with a history of atopic dermatitis that exhibited recurrent erythematous‐bullous lesions consistent with Staphylococcal Scalded Skin syndrome (SSSS). SSSS is an exfoliative toxin‐mediated skin disorder most commonly found in children. In this paper, we discuss the importance of recognizing the clinical symptomatology and progressive nature of SSSS, particularly in patients with a history of atopic dermatitis, to ensure prompt treatment and resolution of the syndrome.
FDA Modernization Act 2.0: An insight from nondeveloping country
Authors: Akash Sajidur Rahman , Arnob M. A. Jobayer Billah , Uddin Md Jamal
Published: August 2023

Animal testing is required in drug development research and is crucial for assessing the efficacy and safety of medications before they are commercialized. However, the newly furnished Food and Drug Administration Modernization Act 2.0 has given new insight into drug development. It opens a new door by offering an alternative testing method for developing a new drug without using animals. This newly proposed system may potentially significantly impact nondeveloped countries worldwide. In this study, we explore the alternative testing options such as in silico modeling, human tissue‐on‐chip engineering, animal‐free recombinant antibodies, tissue engineering, and artificial intelligence presented by this act and discuss its implications for nondeveloped countries.
Irreversible Structural Phase Transition in [(9‐triptycylammonium) ([18]crown‐6)][Ni(dmit)2]: Origin and Effects on Electrical and Magnetic Properties
Authors: Manabe Jun , Sako Nagisa , Ito Mizuki , Fujibayashi Masaru , Kato Chisato , Cosquer Goulven , Inoue Katsuya , Takahashi Kiyonori , Nakamura Takayoshi , Akutagawa Tomoyuki , Shimono Seiya , Ishibashi Hiroki , Kubota Yoshiki , Nishihara Sadafumi
Published: August 2023

Materials exhibiting irreversible phase transitions, leading to changes in their properties, have a potential for novel application in electronic components such as a non‐rewritable high‐security memory. Here, we focused on the two salts, [(9‐triptycylammonium)([18]crown‐6)][Ni(dmit)2] (1) and [(9‐triptycylammonium)([15]crown‐5)][Ni(dmit)2] (2), which featured 2D sheet structures with alternately stacked cation and anion layers. Both salts exhibit similar cation arrangements, however, their anion arrangements differ significantly. The temperature‐dependent magnetic susceptibilities of 1 and 2 were well reproduced by the alternating chain model (JAC1/kB=−306(8), JAC2/kB=−239(3) K) and the Curie‐Weiss model (θ=−3.9(1) K), respectively. 1 experience a reversible phase transition around 40–60 K, causing anomalies in magnetic behavior. Moreover, an irreversible single‐crystal‐to‐single‐crystal phase transition to 1′ undergo at ~381 K, inducing a rearrangement of [Ni(dmit)2]− anions and a resistivity decrease from 6.5×106 to 6.5×102 Ω cm. The susceptibility curve of 1′ was reproduced by a combination of the Curie‐Weiss and dimer models (Jdimer/kB=−407(5), θ=−26.7(5) K). The irreversible transition of 1 is the first example for such supramolecule and [Ni(dmit)2]− system to our knowledge, in opening potential new‐type materials.
Quality of life after pancreatoduodenectomy: Is the outcome predetermined by the diagnosis?
Authors: Silva Trevor , Wagler Amy , Nelson Daniel , O'Connor Victoria
Published: August 2023

Background and Objectives

Non‐physiological factors tied to the disease process may drive the diminished quality of life (QoL) after pancreatoduodenectomy (PD). We compared postoperative QoL among patients undergoing PD for either benign or malignant pathology.

Methods

From 2012 to 2021, 228 patients underwent PD in a large healthcare system. Eighty‐two patients (36.0%) were interviewed using the EORTC QLQ‐C30 questionnaire. A minimum of 6 months after surgery was required for the survey. QoL outcomes were compared based on diagnosis (benign vs. malignant).

Results

Patient mean age was 65 years (21–82), and forty‐seven (57%) were men. Most patients underwent surgery for cancer, 76% (n = 62). Grade B postoperative pancreatic fistula incidence was higher in benign cases (30% vs. 6.5%, p = 0.024). Weight loss was more common in malignancy (79% vs. 50%, p = 0.016). Carcinoma patients felt less useful, hopeful, reported less control of their life and certainty of the future, and were less satisfied with their appearance. Carcinoma patients also reported diminished memory, fear of relapse, and greater financial burden.

Conclusions

Long‐term QoL is inferior in PD patients with carcinoma and is driven by the psychological and socioeconomic implications of malignancy. Supportive resources for pancreas cancer patients should be evaluated and optimized.
Temperature‐dependent kinetics of the gas‐phase reactions of Cl atoms with nopinone, ketolimonene, and myrtenal
Authors: Fakih Mariam , Roth Estelle , Tomas Alexandre , Chakir Abdelkhaleq
Published: August 2023

In this study, the gas phase reaction of chlorine atoms with three first‐generation oxidation products of monoterpene: (myrtenal C10H14O, nopinone C9H14O, and ketolimonene C9H14O) were investigated using a relative technique method. These compounds result from the atmospheric oxidation of monoterpene compounds such as α/β – pinene and limonene. Experiments were performed at temperature range 298–353 K and atmospheric pressure in synthetic air bath gas. Cl atoms were generated by UV photolysis of dichloride (Cl2). The reaction was followed using a proton‐transfer reaction mass spectrometer (PTR‐MS) and/or Fourier‐transform infrared spectroscopy (FTIR) to monitor the concentrations of the investigated species simultaneous with several reference compounds as a function of time. The rate constants were obtained and the Arrhenius expressions (cm3 molecule−1 s−1) obtained were established over the temperature range of 298–353 K:

knopinone + Cl =  (5.0  ±  1.2) ×  10−10 exp ( − (406  ±  78) /T)

kketolimonene + Cl =  (8.88 ±  1.3) × 10−10 exp( − (246 ± 46)/T)

kmyrtenal + Cl =  (13.5 ±  6.4) × 10−10 exp( − (535 ±  153)/T)

Based on rate constants, the atmospheric lifetimes (τ) of targeted compounds with respect to reaction with chlorine atoms were estimated and expected to be less than 1 day. There results led to conclude that the reaction with chlorine atoms can be an effective tropospheric loss pathway mainly in regions presenting relatively high chlorine concentrations.
How Does Oxymetazoline Change Nasal Aerodynamics and Symptomatology in Patients with Turbinate Hypertrophy?
Authors: Root Zachary T. , Lepley Thomas J. , Wu Zhenxing , Chapman Robbie J. , Schneller Aspen R. , Formanek Veronica L. , Kelly Kathleen M. , Otto Bradley A. , Zhao Kai
Published: August 2023

Objectives

Oxymetazoline relieves nasal obstructive symptoms via vasoconstriction, however, the changes in nasal structures and aerodynamics that impact symptoms the most remain unclear.

Methods

This prospective, longitudinal, and single blinded cohort study applied Computational Fluid Dynamic (CFD) modeling based on CT scans at baseline and post‐oxymetazoline on 13 consecutive patients with chronic nasal obstruction secondary to inferior turbinate hypertrophy from a tertiary medical center. To account for placebo effect, a sham saline spray was administered with subject blindfolded prior to oxymetazoline, with 30 min rest in between. Nasal Obstruction Symptom Evaluation (NOSE) and unilateral Visual Analogue Scale (VAS) scores of nasal obstructions were collected at baseline, after sham, and 30 min after oxymetazoline.

Results

Both VAS and NOSE scores significantly improved from baseline to post‐oxymetazoline (NOSE: 62.3 ± 12.4 to 31.5 ± 22.5, p < 0.01; VAS: 5.27 ± 2.63 to 3.85 ± 2.59, p < 0.05), but not significantly from baseline to post‐sham. The anatomical effects of oxymetazoline were observed broadly throughout the entire length of the inferior and middle turbinates (p < 0.05). Among many variables that changed significantly post‐oxymetazoline, only decreased nasal resistance (spearman r = 0.4, p < 0.05), increased regional flow rates (r = −0.3 to −0.5, p < 0.05) and mucosal cooling heat flux (r = −0.42, p < 0.01) in the inferior but not middle turbinate regions, and nasal valve Wall Shear Stress (WSS r = −0.43, p < 0.05) strongly correlated with symptom improvement.

Conclusion

Oxymetazoline broadly affects the inferior and middle turbinates, however, symptomatic improvement appears to be driven more by global nasal resistance and regional increases in airflow rate, mucosal cooling, and WSS, especially near the head of the inferior turbinate.

Level of Evidence

3: Well‐designed, prospective, single blinded cohort trial. Laryngoscope, 134:1100–1106, 2024
The phantom of the author: predatory publisher OMICS is ghost‐writing its own articles
Authors: Downes Mike
Published: August 2023

Key points

OMICS has a number of subsidiaries or imprints.

All of them have been producing fake articles for the past 3 years.

Most of the fake articles are collages of plagiarized material with fake authors and invalid emails.

It is estimated that there could be more than 100,000 such articles.

Academics should not be publishing with OMICS.

Universities and research agencies should enact deterrent policies.
Fall risk in older adults hospitalized with tumours: Contributing factors and prediction model
Authors: Liu Xiaoyan , Dong Chen , Zhao Rui , Gu Zhifeng , Sun Chi
Published: August 2023

Aim

Rates vary widely across hospitals globally and typically range from 3 to 11 falls per 1000 bed days and as 7–11 in Affiliated Hospital of Nantong University. This study determined to explore contributing factors and poor prognosis of fall in elderly tumour patients in China.

Design

A cross‐sectional study.

Methods

161 older adults were invited to participate in this study and completed a self‐reported questionnaire, took blood tests, and received the exam of musculoskeletal ultrasound.

Results

Among 161 patients, falls occurred in 41 cases, accounting for 24.8%. 51.6% of older adults suffered from intermediate‐to‐high risk of falls. Fall history, reduced self‐care ability, sleep disturbance, hearing impairment, hyperkyphosis, chronic disease, platelet count, and the thickness of left muscle rectus femoris (LF‐MLT), and left cross‐sectional area (LF‐CSA) were all contributing factors of fall, and higher risk of fall indicating lower quality of life. A fall prediction model was established in this study based on above contributing factors with good prediction efficiency (AUC = 0.920).

Patient or public contribution

The patient volunteers participated in this study and provided valuable data for the final analysis and the acquisition of conclusion.
A novel PIEZO2 mutation in a fetus from a Chinese family with Gordon syndrome
Authors: Pu Lihong , Dai Xiaohui , Liu Dan , Wang Yu , Liu Hanmin , He Xiaolan , Chen Jiao
Published: August 2023

We describe a fetus from a Chinese family whose parents were both healthy but showed multiple malformations, including clubfoot, camptodactyly, micrognathia, and cleft palate. Genomic DNA was extracted from the peripheral blood of the proband's parents and skeletal muscle tissue from the aborted fetus to determine the diagnosis and underlying cause. Whole‐exome sequencing revealed that the fetus was heterozygous for a novel variant of uncertain significance in exon 56 (c.8576G>A; p.Trp2859*) of the Piezo‐type mechanosensitive ion channel component 2 gene (PIEZO2) (NM_001378183.1). A diagnosis of Gordon syndrome (GS) was made from the presence of this variant and ultrasonic manifestation. Sanger sequencing of the proband's parents resulted in normal chromatograms, suggesting that this was either a de novo variant in the fetus or, less likely, the result of germline mosaicism in the proband's mother or father. This is the first description of GS caused by a PIEZO2 variant in which the fetus was the proband. A prenatal diagnosis of GS can be established by fetal ultrasound examination combined with genetic testing.
Formative evaluation of Peace Spaces in a middle school: Teacher perceptions and student usage
Authors: Liang Christopher T. H. , Gutekunst Malaïka H. C. , Liu Lian , Rosenberger Teresa , Kohler Brooke A.
Published: August 2023

Teaching youth how to self‐regulate is a focus of a trauma‐informed school approach. Peace Spaces, including Peace Corners and Peace Rooms, are a trauma‐informed intervention used to teach self‐regulation skills to students. The current study used a Consensual Qualitative Research design to identify and describe the thoughts, concerns, and experiences of teachers who implemented Peace Spaces within a middle school in a small urban center of Pennsylvania. Results of qualitative data analyses provided insight into teachers' perceptions of strengths and challenges to the implementation of Peace Rooms. Additionally, using the school's archival data, the study examined how students were using the Peace Room. Domains from interviews with teachers included: (1) How Peace Spaces are Used; (2) Reasons for Using Peace Spaces; (3) Benefits of Peace Spaces; (4) Peace Space Strategies; (5) Challenges of Peace Spaces; (6) Attitudes about Peace Spaces; and (7) Future Directions. Themes from analysis of archival data indicated that students used the Peace Room for one or a combination of five stressors, with Peer‐Related Stressors and Mental Health as the top reasons. Collectively, these results suggested Peace Rooms were useful to students who needed a space to self‐regulate and/or talk through their problems with a trusted adult. Finally, the school's data indicated a downward trend in the number of referrals for discipline.
Evaluation of the efficacy of asthma information videos (‘Moving On Asthma’) at improving knowledge in teenage children
Authors: Gardiner Adam , Gibbons Moira , Barker Nicki , Elphick Heather
Published: August 2023

Introduction

Asthma is a common inflammatory condition that can be life threatening. The National Review of Asthma Deaths (2014) recommended: Parents and children…should be educated about managing asthma. The aim of this study was to assess the efficacy of an educational video on asthma at improving knowledge in adolescent children.

Methods

A 3‐min asthma education video was shown to young people aged 13–15 years in two contrasting schools. Knowledge of asthma was evaluated using a 6‐question form completed at 3 timepoints: baseline (pre), immediately after intervention (post), and 1 week later (delayed). A total of 151 data sets from two schools were analysed.

Results

Knowledge was significantly improved immediately after watching the video for four out of six questions, indicating that the video was successful in effectively educating the children about asthma. There was no significant change to responses between immediately after watching the video and a week later, suggesting retention of the knowledge gained from viewing the intervention material.

Conclusion

The results suggest acquisition and retention of knowledge in young people after watching a video on asthma, providing evidence to support the use of digital, video‐assisted, internet‐based learning tools such as the ‘Moving on Asthma’ website as an aid to regular clinics for young people with asthma.
Multinuclear Pd(II) oligomeric nanohoop complexes with 2,2′‐bipyridyl‐embedded cycloparaphenylenes ligands exhibiting ultrahigh third‐order nonlinear optical performance
Authors: Zhang Yuan , Qiu Yong‐Qing , Zhao Yuan‐Yuan , Lv Xiao‐Shu , Li Shang‐Qi , An Chang‐Wei
Published: August 2023

Unlike traditionally available linear frameworks, cyclic transition‐metal architectures with cycloparaphenylenes (CPPs) ligands provide new access to develop modern nonlinear optical (NLO) materials. In this work, a sequence of “staircase” Pd(II) oligomeric nanohoop complexes with the 2,2′‐bipyridyl‐embedded CPPs ligand unit through “series connection” mode and “Ω‐type” Pd(II) trimeric isomer have been systematically designed and investigated via density functional theory. Herein, we first report the dependence of third‐order NLO responses on the number of bipyridine CPP building ligands in a quantitative way. Impressively, the Pd(II) trimeric complexes possess ultrahigh third‐order NLO responses, which are ascribed to the large orbital delocalization and decreased energy gap. To our delight, the enlargement of the nanohoop size is beneficial to improving third‐order NLO responses for Pd(II) oligomeric nanohoop complexes, and the maximum absorption spikes show the blue shift tendency. The effect of size on the third‐order NLO responses becomes much larger with the addition of bipyridine CPPs ligand. Overall, we hope the current work will deliver a new quantitative structure–property relationship toward the design and synthesis of Pd(II) oligomeric nanohoop complexes with high third‐order NLO responses.