bluuebunny/crossref_metadata_2025_split huggingface dataset:
QSAR Model Based Gradient Boosting Regression of N-Arylsulfonyl-Indole-2-Carboxamide Derivatives as Inhibitors for Fructose-1,6-Bisphosphatase
Authors: Zhao Ziyi , Yang Jialong , Li Bowen , Sun Tingting , Si Hongzong , Ni Tongshang 
Published: August 2021

AbstractAs is known to all, diabetes metellius is a global health threaten and it has caused worldwide attention of scientists. To get a better investigation of the drug design of diabetes, we used heuristic method to established the linear model and used Gradient Boosting Regression to establish the nonlinear model of Fructose-1,6-Bisphosphatse inhibitor successively. In this study, 84 derivatives of N-Arylsulfonyl-Indole-2-Carboxamide were introduced into the models, two outstanding QSAR models with 2 molecule descriptors were established successfully. Grandient Boosting Regression rendered a good correlation with R2 of 0.943 and MSE of 0.135 for the training set, 0.916 and 0.213 for test set, which also proves the feasibility of the implementation of the new method GBR in the field of QSAR. Meanwhile, the optimal model displayed wonderful statistical significance. This study shows unlimited potential for design of new drugs for diabetes.
Degenerate primed randomly amplified polymorphic DNA (DP-RAPD) fingerprinting of bacteriophages ofVibrio harveyifrom shrimp hatcheries in Southern India
Authors: Thiyagarajan S. , Chrisolite B. , Alavandi S.V. 
Published: August 2021

AbstractVibrio harveyiis a significant pathogen of shrimp. Seventy-six bacteriophages infecting luminescentV. harveyiwere isolated from a total of 194 water samples drawn from various sources of shrimp hatcheries located in South East coast and Andaman island of India. Degenerate primed randomly amplified polymorphic DNA (DP- RAPD) fingerprinting of these bacteriophages was carried out to determine their genetic relatedness. Similarity matrix based on Dice coefficient followed by construction of dendrogram by unweighted pair group method with arithmetic averages (UPGMA) revealed 12 major clusters. One phage was randomly selected from each of these major clusters for transmission electron microscopic observations. Eleven of them had an icosahedral head (46-115 nm) with a long non-contractile tail (132-329 nm), belonging to theSiphoviridaefamily and two phages had a short tail (15-27 nm), belonging to the familyPodoviridae. The phylogenetic analysis of the phages using DP-RAPD fingerprinting correlated to some extent to the phenotypic nature of the host specifically with regard to sucrose fermentation and source of isolation. However, phages specifically infectingV. harveyiand those belonging to different families did not cluster together in the DP-PCR cluster analysis. Hence, the genetic diversity of phages infecting same host with respect to phenotypic difference was revealed by the DP-RAPD applied in this study.
BNT162b2 and mRNA-1273 COVID-19 vaccine effectiveness against the Delta (B.1.617.2) variant in Qatar
Authors: Tang Patrick , Hasan Mohammad R. , Chemaitelly Hiam , Yassine Hadi M. , Benslimane Fatiha M. , Khatib Hebah A. Al , AlMukdad Sawsan , Coyle Peter , Ayoub Houssein H. , Kanaani Zaina Al , Al Kuwari Einas , Jeremijenko Andrew , Kaleeckal Anvar Hassan , Latif Ali Nizar , Shaik Riyazuddin Mohammad , Abdul Rahim Hanan F. , Nasrallah Gheyath K. , Al Kuwari Mohamed Ghaith , Al Romaihi Hamad Eid , Butt Adeel A. , Al-Thani Mohamed H. , Khal Abdullatif Al , Bertollini Roberto , Abu-Raddad Laith J. 
Published: August 2021

AbstractThe SARS-CoV-2 Delta (B.1.617.2) variant of concern is expanding globally. Here, we assess real-world effectiveness of the BNT162b2 (Pfizer-BioNTech) and mRNA-1273 (Moderna) vaccines against this variant in the population of Qatar, using a matched test-negative, case- control study design. BNT162b2 effectiveness against any Delta infection, symptomatic or asymptomatic, was 64.2% (95% CI: 38.1-80.1%) ≥14 days after the first dose and before the second dose, but was only 53.5% (95% CI: 43.9-61.4%) ≥14 days after the second dose, in a population in which a large proportion of fully vaccinated persons received their second dose several months earlier. Corresponding effectiveness measures for mRNA-1273 were 79.0% (95% CI: 58.9-90.1%) and 84.8% (95% CI: 75.9-90.8%), respectively. Effectiveness against any severe, critical, or fatal COVID-19 disease due to Delta was 89.7% (95% CI: 61.0-98.1%) for BNT162b2 and 100.0% (95% CI: 41.2-100.0%) for mRNA-1273, ≥14 days after the second dose. Both BNT162b2 and mRNA-1273 are highly effective in preventing Delta hospitalization and death, but less so in preventing infection, particularly for BNT162b2.
Opportunistic gut sampling indicates differential diet and plastic ingestion risk in Indian dugongs
Authors: Prajapati Sumit , Ghanekar Chinmaya , Pathan Sameeha , Shekar Rukmini , Magesh K. Madhu , Gole Swapnali , Bose Srabani , Iyer Sweta , Pande Anant , Johnson Jeyaraj Antony , Sivakumar Kuppusamy 
Published: August 2021

AbstractDugongs, exclusively seagrass foragers, are globally threatened marine mammals. Knowledge on their feeding biology has been derived from few direct observations and mostly by analysis of stomach contents. Given limitations in data from Indian populations, dugong strandings serve as an opportunity to understand their dietary composition through gut sampling. In this paper, we utilize the gut contents collected from stranded dugongs to detect differences in the seagrass foraging between two isolated pockets of dugong distribution (Tamil Nadu and Gujarat) and supplement existing knowledge on dugong feeding biology in Indian waters. We extracted, enumerated and identified seagrass species from dugong gut contents. The proportion of seagrass leaf fragments were found higher (>40%) than other fragments in all the gut samples analysed. We recorded two seagrass genera (Halophila spp. and Halodule spp.) from Gujarat and five seagrass genera (Halophila spp., Halodule spp., Cymodocea spp., Enhalus spp., Syringodium spp.) from Tamil Nadu dugong individuals. We also obtained anthropogenic debris such as plastic, fishing net and wood fragments from the gut samples. We suggest enhanced monitoring of seagrass habitats and fine spatial scale threat mapping in entire dugong distribution range in India.
Pout2Prot: an efficient tool to create protein (sub)groups from Percolator output files
Authors: Schallert Kay , Verschaffelt Pieter , Mesuere Bart , Benndorf Dirk , Martens Lennart , Bossche Tim Van Den 
Published: August 2021

AbstractIn metaproteomics, the study of the collective proteome of microbial communities, the protein inference problem is more challenging than in single-species proteomics. Indeed, a peptide sequence can not only be present in multiple proteins or protein isoforms of the same species, but also in homologous proteins from closely related species. To assign the taxonomy and functions of the microbial species, specialized tools have been developed, such as Prophane. This tool, however, is not directly compatible with post-processing tools such as Percolator. In this manuscript we therefore present Pout2Prot, which takes Percolator Output (.pout) files from multiple experiments and creates protein group and protein subgroup output files (.tsv) that can be used directly with Prophane. We investigated different grouping strategies, and compared existing protein grouping tools to develop an advanced protein grouping algorithm that offers a variety of different approaches, allows grouping for multiple files, and uses a weighted spectral count for protein (sub)groups to reflect abundance. Pout2Prot is available as a web application at https://pout2prot.ugent.be and is installable via pip as a standalone command line tool and reusable software library. All code is open source under the Apache License 2.0 and is available at https://github.com/compomics/pout2prot.
Fast and efficient digestion of adeno associated virus (AAV) capsid proteins for liquid chromatography mass spectrometry (LC-MS) based peptide mapping and post translational modification analysis (PTMs)
Authors: Guapo Felipe , Strasser Lisa , Millán-Martín Silvia , Anderson Ian , Bones Jonathan 
Published: August 2021

AbstractAdeno-associated virus (AAV) represent a widely used delivery mechanism for gene therapy treatments currently being developed. The size and complexity of these molecules requires the development of sensitive analytical methods for detailed product characterization. Among the quality attributes that need to be monitored, characterization of the AAV capsid protein amino acid sequences and any associated post translational modifications (PTM) present should be performed. As commonly used for recombinant protein analysis, LC-MS based peptide mapping can provide sequence coverage and PTM information to improve product understanding and the development and deployment of the associated manufacturing processes. In the current study, we report a fast and efficient method to digest AAV5 capsid proteins in only 30 minutes prior to peptide mapping analysis. The performance of different proteases in digesting AAV5 was compared and the benefits of using nanoflow liquid chromatography for separation prior to high resolution mass spectrometry to obtain 100% sequence coverage are highlighted. Characterization and quantitation of PTMs on AAV5 capsid proteins when using pepsin as a single protease is reported, thereby demonstrating the potential of this method to aid with complete characterization of AAV serotypes in gene therapy development laboratories.
Durability of SARS-CoV-2-specific T cell responses at 12-months post-infection
Authors: Lu Zhongyan , Laing Eric D. , Pena-Damata Jarina , Pohida Katherine , Tso Marana S. , Samuels Emily C. , Epsi Nusrat J. , Dorjbal Batsukh , Lake Camille , Richard Stephanie A. , Maves Ryan C. , Lindholm David A. , Rozman Julia , English Caroline , Huprikar Nikhil , Mende Katrin , Colombo Rhonda E. , Colombo Christopher J. , Broder Christopher C. , Ganesan Anuradha , Lanteri Charlotte A. , Agan Brian K. , Tribble David , Simons Mark P. , Dalgard Clifton L. , Blair Paul W. , Chenoweth Josh , Pollett Simon D. , Snow Andrew L. , Burgess Timothy H. , Malloy Allison M.W. ,   the EPICC COVID-19 Cohort Study Group
Published: August 2021

AbstractBackgroundCharacterizing the longevity and quality of cellular immune responses to SARS-CoV-2 is critical to understanding immunologic approaches to protection against COVID-19. Prior studies suggest SARS-CoV-2-specific T cells are present in peripheral blood 10 months after infection. Further analysis of the function, durability, and diversity of the cellular response long after natural infection, over a wider range of ages and disease phenotypes, is needed to further identify preventative and therapeutic interventions.MethodsWe identified participants in our multi-site longitudinal, prospective cohort study 12-months post SARS-CoV-2 infection representing a range of disease severity. We investigated the function, phenotypes, and frequency of T cells specific for SARS-CoV-2 using intracellular cytokine staining and spectral flow cytometry. In parallel, the magnitude of SARS-CoV-2-specific antibodies was compared.ResultsSARS-CoV-2-specific antibodies and T cells were detected at 12-months post-infection. Severity of acute illness was associated with higher frequencies of SARS-CoV-2-specific CD4 T cells and antibodies at 12-months. In contrast, polyfunctional and cytotoxic T cells responsive to SARS-CoV-2 were identified in participants over a wide spectrum of disease severity.ConclusionsOur data show that SARS-CoV-2 infection induces polyfunctional memory T cells detectable at 12-months post-infection, with higher frequency noted in those who originally experienced severe disease.
Scale heterogeneity in hotel guests’ satisfaction relative to room rates
Authors: Boto-Garcia David , Escalonilla Marta , Zapico Emma , Baños Jose F. 
Published: August 2021

Purpose
This paper aims to examine hotel guests’ satisfaction relative to room rates paying attention to the heterogeneity in the scale of satisfaction scores.

Design/methodology/approach
This paper studies guests’ post-purchase hotel evaluation using survey data from a sample of 14,879 tourists visiting a Northern Spanish region. This study estimates a Heteroskedastic Ordered Probit model in which both “cognitive” and “emotional” components of satisfaction are modelled. The model allows us to control for heterogeneity in the scale of the latent satisfaction scores.

Findings
This paper finds that satisfaction relative to rates (value for money) decreases with expenditure per person and day. Interestingly, this negative relationship mainly holds for those who do not prioritize prices at the time of choosing the hotel. Positive first impressions are positively associated with higher satisfaction. In addition, this study finds that the emotional component of satisfaction increases with hotel quality and hiring a full board, being also greater among women and elderly people.

Originality/value
Instead of using an overall measure of satisfaction, this paper uses one that gathers how the tourist assesses satisfaction in relation to cost (value for money).
Investigating asymmetric effects of public debt on economic growth in South Africa: a smooth transition regression (STAR) approach
Authors: Makhoba Bongumusa Prince , Kaseeram Irrshad , Greyling Lorraine 
Published: August 2021

PurposeThe primary purpose of the study is to analyse the asymmetric effects of public debt on economic growth, using secondary data over the period 1980–2018 in South Africa.Design/methodology/approachThis study estimated a Smooth Transition Regression (STAR) and Nonlinear Autoregressive Distributed Lag (NARDL) approach, using time series data to analyse the asymmetric effect of public debt on economic growth in South Africa.FindingsThe findings revealed a significant nonlinear relationship between public debt and economic growth in South Africa. The results showed an inverted U-Shape relationship, implying a significant positive influence of public debt on economic growth during the low-debt regime. While during a high-debt regime, public debt exerted a significant negative effect on economic growth. The study proposes that policymakers ought to consider targeting a sustainable debt threshold that would enhance efficient use of public finances consistent with long-term economic prosperity.Originality/valueThis paper asymmetries and threshold effects between public debt and economic growth in South Africa, through the application of dynamic nonlinear models namely, Smooth Transition Regression (STAR) and Nonlinear Autoregressive Distributed Lag (NARDL) approach. Studies on the relationship under examination have predominantly been confined in advanced economies. This study provides rigorous empirical evidence from the South African perspective.
Developed DICOM standard schema with DSpace
Authors: Hazarika Hirak Jyoti , Ravikumar S. , Handique Akash 
Published: August 2021

Purpose
This paper aims to present a novel DSpace-based medical image repository system planned explicitly for storing and retrieving clinical images using digital imaging and communication in medicine (DICOM) metadata standards. DSpace institutional repository software is widely used in an academic environment for accessing and mainly storing text-related files. DICOM images are particular types of images embedded with much system-generated metadata and organised using DICOM metadata standards.

Design/methodology/approach
The present paper talks about institutional repository software (DSpace) in archiving DICOM images. In the current study, the authors have tried to integrate the DICOM metadata standard with DSpace, which was compatible with Dublin Core (DC) and open archives initiative – protocol for metadata harvesting (OAI-PMH). After combining the DICOM standard with DSpace and the repository tested with a sample of 5,000 images, the retrieval results using various DICOM tags was very satisfactory. This study paves for the use of open source software (OSS) in storing and retrieving medical images.

Findings
The author has provided the DSpace software to recognised DICOM (.dcm) files in the first stage. In the second stage, a patch was developed to identify the DICOM metadata standard in Dspace, which has inbuilt DC metadata standards. Finally, in the third stage, retrieval efficiency was tested with a 5,000 .dcm image using the DICOM tag and the results were very fruitful.

Research limitations/implications
A major limitation of this study was the size of the data (5,000 DICOM images) with which the authors have tested the system. The system scalability has to be tested on various fronts like on cloud and local servers with different configurations, for which a separate study has to be done.

Practical implications
Once this system is in place, DICOM users can stock, retrieve and access the image from the Web platform. Furthermore, this proposed repository will be the warehouse of various DICOM images with reasonable storage costs.

Originality/value
In addition to exploring the opportunities of free open source software (FOSS) implementation in medical science, this study includes issues related to the performance of an open-source repository for retrieving and preserving medical images. It created and developed Open Source DICOM Medical Image Library with DICOM metadata standard with the help of DSpace. Thus, the study will generate value for library professionals and medical professionals and FOSS vendors to understand the medical market in the context of FOSS.
Media interviews as strategic external communication to maintain legitimacy for sustainability activities
Authors: Crumley Ellen T. , Grandy Karen , Sundararajan Binod , Roy Judy 
Published: August 2021

PurposeThe purpose of this paper is to examine the thematic content and inclusive language in leaders' media interviews to maintain legitimacy for organizational sustainability activities.Design/methodology/approachAn exploratory, qualitative content analysis of 24 organizational leaders' media interviews about environmental sustainability was conducted. Inclusive language (i.e. collective focus terms, collective personal pronouns, and metaphors) and thematic content were analyzed.FindingsLegitimacy maintenance entails both describing organizational sustainability activities and conveying, through the use of inclusive language, multiple audiences' connection to the organization. The qualitative content analysis found that leaders discussed both primary and secondary stakeholders. With the exception of the code defending existing practices, leaders consistently highlighted positive sustainability activities of their organizations. The inclusive language analysis found that collective focus terms were used by all the leaders, with the most common term being “everyone.” Collective personal pronouns were found in half the interviews. Metaphors were employed by all leaders; the most common sustainability-related metaphors were journey, structural, personification, military/competition, vision and science.Research limitations/implicationsThe sample is limited to 24 organizations and not representative of all industries.Originality/valueWhile sustainability communication research focuses on annual reports and website and social media content, this study draws attention to a common but under-examined type of strategic external communication: senior organizational leaders' media interviews. To the authors’ knowledge, scholars have not previously considered the possible legitimacy maintenance function of organizational leaders' use of inclusive language and thematic content to address a broad array of stakeholders in their external communication.
Teaching literature following loss: teachers’ adherence to emotional rules
Authors: Dunn Mandie Bevels 
Published: August 2021

PurposeThis study aims to explore how teachers changed literature instruction in English language arts (ELA) classrooms following personal loss, and identifies factors influencing those changes. The author argues teachers regulated their responses to literature according to emotional rules they perceived to be associated with the teaching profession. Understanding teachers’ responses helps educators, teacher educators and educational researchers consider what conditions and supports may be required for teachers and students to share emotions related to loss in authentic ways in ELA classrooms.Design/methodology/approachTo examine changes teachers made in literature instruction following personal loss, the author conducted a thematic analysis of 80 questionnaire responses.FindingsThe author found teachers changed literature instruction related to three areas: teachers’ relationship to students, teachers’ instruction surrounding texts and teachers’ reader responses. Responses highlighted how teachers adhered to emotional rules, including a perception of teachers as authorities and caretakers of children. Teachers considered literature instruction to require maintaining focus on texts, and avoided emotional response unless it aided textual comprehension.Originality/valueScholars have argued for literature instruction inclusive of both loss experiences and also emotional response, with particular focus on students’ loss experiences. This study focuses on teachers’ experiences and responses to literature following loss, highlighting factors that influence, and at times inhibit, teachers’ authentic sharing of experiences and emotions. The author argues teachers require support to bring loss experiences into literature instruction as they navigate emotional response within the relational dynamics of the classroom.
Contraceptive prevalence and factors influencing utilization among women in Pakistan: a focus on gender-based violence
Authors: Nguyen Thao Thi , Neal Sarah 
Published: August 2021

PurposeIn this study, the authors determined the prevalence of contraceptive use among Pakistani women and assessed factors influencing the utilization of contraception with a particular focus on the experience of gender-based violence.Design/methodology/approachThe dataset used in this study was the Pakistan Demographic Health Survey 2018, which includes married women only. Bivariate analysis and multivariate logistic regression were used to investigate the association between contraceptive use and a number of explanatory variables including experience of gender-based violence.FindingsFrom 2006 to 2018, the contraceptive prevalence rate (CPR) and the use of modern contraceptive methods increased slowly. The findings of this study demonstrated that higher educational level and wealth index increased the likelihood of contraceptive uptake and the use of modern contraception. Media exposure to family planning and spousal communication were protective factors that encouraged women to use contraception, including modern contraception, to avoid unwanted pregnancy. Women who experienced gender-based violence (GBV) were more likely to use contraception than women who did not experience GBV.Research limitations/implicationsThe use of secondary data limited the variety of important variable that should be investigated including knowledge of women on SRH, the attitude of women toward SRH and family planning, the skills of a healthcare provider on counseling family planning, and other barrier variables such as transportation and willingness to pay for contraceptive methods. 10;The sensitivity of the topic is considered as another challenge when collecting data. Women might be hesitant to share about their GBV experience. The experience to GBV is also hard to define and depends on the feeling of each person, especially emotional violence.Originality/valueThis paper is one of the very few studies to examine the association between GBV and contraceptive use, and thus is valuable in opening up debate about the links between these two factors.