cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.14364368
title: 8-Hydroxydihydrosanguinarine (8-HDS), a pyridone containing analogue of sanguinarine, can be a potential inhibitor of S protein and M protease of SARS CoV2 Insights from computational studies

description: The unprecedented global pandemic of COVID-19 has created a daunting scenario urging an immediate generation of therapeutic strategy. Viral inhibitory potential of Pyridone ring containing analogues was already accounted for several infectious viruses and suggested for being significant in case of present COVID-19. Thus, pyridone ring containing 8-HDS is subjected for its inhibitory prospective in the present study for SARS-CoV2. <b>Methods:</b> Here in this study we target S protein to obstruct the viral attachment and entry and also the M pro to prevent the viral replication. For this purpose, the interaction of S protein and M pro with phytocompounds, sanguinarine and eugenol, and their derivatives were studied using computational tools. <b>Results:</b> It is evident from the docking studies that 8-Hydroxydihydrosanguinarine, a derivative of sanguinarine, exhibits maximum binding affinity with both the targets. The binding energies of the ligand with S protein and M pro scored to be ΔGb-9.4 Kcal/mol and ΔGb-10.3 Kcal/mol respectively. MD simulation studies depict that the phytocompound could effectively cause structural perturbations in the targets which would affect their functions. 8-Hydroxydihydrosanguinarine distorts the α-helix in the secondary structure of M pro and RBD site of S protein. Protein-protein interaction study in presence of 8-hydroxydihydrosanguinarine (8-HDS) also corroborates the above findings which indicate that this polyphenol interferes in the coupling of S Protein and ACE2. The alterations in protonation of M pro suggest that the protein structure undergoes significant structural changes at neutral pH. ADME (Physicochemical, Lipophilicity, Water Solubility, Pharmacokinetics, Drug-likeness) property of 8-HDS suggests that this could be a potential drug. <b>Conclusions:</b> Our research via computational tools establishes that 8-HDS can be an efficient inhibitor in blocking viral infection. This makes the phyto-alkaloid a possible therapeutic molecule for anti COVID-19 drug design. Thus it can prove to be a potential molecule in therapeutic drug development against COVID-19.
DOI: 10.6084/m9.figshare.14364368.v2
title: 8-Hydroxydihydrosanguinarine (8-HDS), a pyridone containing analogue of sanguinarine, can be a potential inhibitor of S protein and M protease of SARS CoV2 Insights from computational studies

description: The unprecedented global pandemic of COVID-19 has created a daunting scenario urging an immediate generation of therapeutic strategy. Viral inhibitory potential of Pyridone ring containing analogues was already accounted for several infectious viruses and suggested for being significant in case of present COVID-19. Thus, pyridone ring containing 8-HDS is subjected for its inhibitory prospective in the present study for SARS-CoV2. <b>Methods:</b> Here in this study we target S protein to obstruct the viral attachment and entry and also the M pro to prevent the viral replication. For this purpose, the interaction of S protein and M pro with phytocompounds, sanguinarine and eugenol, and their derivatives were studied using computational tools. <b>Results:</b> It is evident from the docking studies that 8-Hydroxydihydrosanguinarine, a derivative of sanguinarine, exhibits maximum binding affinity with both the targets. The binding energies of the ligand with S protein and M pro scored to be ΔGb-9.4 Kcal/mol and ΔGb-10.3 Kcal/mol respectively. MD simulation studies depict that the phytocompound could effectively cause structural perturbations in the targets which would affect their functions. 8-Hydroxydihydrosanguinarine distorts the α-helix in the secondary structure of M pro and RBD site of S protein. Protein-protein interaction study in presence of 8-hydroxydihydrosanguinarine (8-HDS) also corroborates the above findings which indicate that this polyphenol interferes in the coupling of S Protein and ACE2. The alterations in protonation of M pro suggest that the protein structure undergoes significant structural changes at neutral pH. ADME (Physicochemical, Lipophilicity, Water Solubility, Pharmacokinetics, Drug-likeness) property of 8-HDS suggests that this could be a potential drug. <b>Conclusions:</b> Our research via computational tools establishes that 8-HDS can be an efficient inhibitor in blocking viral infection. This makes the phyto-alkaloid a possible therapeutic molecule for anti COVID-19 drug design. Thus it can prove to be a potential molecule in therapeutic drug development against COVID-19.
DOI: 10.6084/m9.figshare.14364368.v1
title: 8-Hydroxydihydrosanguinarine (8-HDS), a pyridone containing analogue of sanguinarine, can be a potential inhibitor of S protein and M protease of SARS CoV2 Insights from computational studies

description: The unprecedented global pandemic of COVID-19 has created a daunting scenario urging an immediate generation of therapeutic strategy. Viral inhibitory potential of Pyridone ring containing analogues was already accounted for several infectious viruses and suggested for being significant in case of present COVID-19. Thus, pyridone ring containing 8-HDS is subjected for its inhibitory prospective in the present study for SARS-CoV2. <b>Methods:</b> Here in this study we target S protein to obstruct the viral attachment and entry and also the M pro to prevent the viral replication. For this purpose, the interaction of S protein and M pro with phytocompounds, sanguinarine and eugenol, and their derivatives were studied using computational tools. <b>Results:</b> It is evident from the docking studies that 8-Hydroxydihydrosanguinarine, a derivative of sanguinarine, exhibits maximum binding affinity with both the targets. The binding energies of the ligand with S protein and M pro scored to be ΔGb-9.4 Kcal/mol and ΔGb-10.3 Kcal/mol respectively. MD simulation studies depict that the phytocompound could effectively cause structural perturbations in the targets which would affect their functions. 8-Hydroxydihydrosanguinarine distorts the α-helix in the secondary structure of M pro and RBD site of S protein. Protein-protein interaction study in presence of 8-hydroxydihydrosanguinarine (8-HDS) also corroborates the above findings which indicate that this polyphenol interferes in the coupling of S Protein and ACE2. The alterations in protonation of M pro suggest that the protein structure undergoes significant structural changes at neutral pH. ADME (Physicochemical, Lipophilicity, Water Solubility, Pharmacokinetics, Drug-likeness) property of 8-HDS suggests that this could be a potential drug. <b>Conclusions:</b> Our research via computational tools establishes that 8-HDS can be an efficient inhibitor in blocking viral infection. This makes the phyto-alkaloid a possible therapeutic molecule for anti COVID-19 drug design. Thus it can prove to be a potential molecule in therapeutic drug development against COVID-19.
DOI: 10.5281/zenodo.4661033
title: NMR based Serum and Muscle Metabolomics for Diagnosis and Activity Assessment in Idiopathic Inflammatory Myopathies

description: Differentiating smouldering disease activity from weakness due to fatty replacement of atrophied muscle can often be a challenge in the Idiopathic Inflammatory Myositis (IIM). Conventional biomarkers such creatine kinase (CK) may be normal in the face of significant muscle wasting. Therefore, we aimed to identify the metabolic disturbances associated with IIM and tried to explore if these changes can aid in the assessment of disease activity as well. For this, metabolic profiles of sera (N=99) and muscle (N=21) from patients with IIM (ACR-EULAR criteria) were compared with healthy control (HC) samples (N=75 for serum and N=12 for muscle tissues) employing 800 MHz NMR (Nuclear Magnetic Resonance) Spectroscopy. Metabolic disparity between IIM and HC was established based on Partial Least Squares Discriminant Analysis (PLS-DA) and the discriminatory metabolites were identified based on variable importance in projection (VIP) statistics). The results revealed that the serum metabolomics profiles of IIM patients are distinctively different compared to HC, with a visible shift to anaerobic metabolism (as inferred from the increased circulatory levels of lactate and decreased glucose levels), oxidative defect (high Phenylalanine/tyrosine), decreased muscle mass (low serum creatinine), increased muscle catabolism (increased branched chain amino acids) and dyslipidemia (higher lipids, higher (very low density lipoprotein (VLDL)/ low density lipoprotein (LDL) ratio, lower Polyunsaturated fatty acid (PUFA)). The sera of active IIM patients were characterized by anerobic metabolism (low glucose), loss of muscle mass (low creatinine, amino acids) and oxidative defect (high Phenylalanine/tyrosine). Three metabolites (isopropanol, succinate and glycine) were distinctive in muscle tissue metabolomics. NMR based serum metabolic disparity was lacking between different clinical subsets of IIM. <strong>In conclusion, </strong>the NMR based serum metabolic profiling could (i) differentiate active from inactive myositis where conventional markers fail and (ii) aid in critical decisions of whether to continue immune-suppressants or not in the patient. Thus, we believe that eerum and muscle tissue metabolomics has the potential to distinguish (i) IIM from HC and (ii) active IIM from inactive IIM without alteration due to disease subtype.
DOI: 10.5281/zenodo.4661032
title: NMR based Serum and Muscle Metabolomics for Diagnosis and Activity Assessment in Idiopathic Inflammatory Myopathies

description: Differentiating smouldering disease activity from weakness due to fatty replacement of atrophied muscle can often be a challenge in the Idiopathic Inflammatory Myositis (IIM). Conventional biomarkers such creatine kinase (CK) may be normal in the face of significant muscle wasting. Therefore, we aimed to identify the metabolic disturbances associated with IIM and tried to explore if these changes can aid in the assessment of disease activity as well. For this, metabolic profiles of sera (N=99) and muscle (N=21) from patients with IIM (ACR-EULAR criteria) were compared with healthy control (HC) samples (N=75 for serum and N=12 for muscle tissues) employing 800 MHz NMR (Nuclear Magnetic Resonance) Spectroscopy. Metabolic disparity between IIM and HC was established based on Partial Least Squares Discriminant Analysis (PLS-DA) and the discriminatory metabolites were identified based on variable importance in projection (VIP) statistics). The results revealed that the serum metabolomics profiles of IIM patients are distinctively different compared to HC, with a visible shift to anaerobic metabolism (as inferred from the increased circulatory levels of lactate and decreased glucose levels), oxidative defect (high Phenylalanine/tyrosine), decreased muscle mass (low serum creatinine), increased muscle catabolism (increased branched chain amino acids) and dyslipidemia (higher lipids, higher (very low density lipoprotein (VLDL)/ low density lipoprotein (LDL) ratio, lower Polyunsaturated fatty acid (PUFA)). The sera of active IIM patients were characterized by anerobic metabolism (low glucose), loss of muscle mass (low creatinine, amino acids) and oxidative defect (high Phenylalanine/tyrosine). Three metabolites (isopropanol, succinate and glycine) were distinctive in muscle tissue metabolomics. NMR based serum metabolic disparity was lacking between different clinical subsets of IIM. <strong>In conclusion, </strong>the NMR based serum metabolic profiling could (i) differentiate active from inactive myositis where conventional markers fail and (ii) aid in critical decisions of whether to continue immune-suppressants or not in the patient. Thus, we believe that eerum and muscle tissue metabolomics has the potential to distinguish (i) IIM from HC and (ii) active IIM from inactive IIM without alteration due to disease subtype.
DOI: 10.15468/r72dv9
title: Taxonomic revision of the New World members of the trapdoor spider genus Ummidia Thorell (Araneae, Mygalomorphae, Halonoproctidae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Godwin, Rebecca L., Bond, Jason E. (2021): Taxonomic revision of the New World members of the trapdoor spider genus Ummidia Thorell (Araneae, Mygalomorphae, Halonoproctidae). ZooKeys 1027: 1-165, DOI: http://dx.doi.org/10.3897/zookeys.1027.54888, URL: http://dx.doi.org/10.3897/zookeys.1027.54888
DOI: 10.5281/zenodo.4661000
title: Dataset of paper "Towards Understanding iOS App Store SearchAdvertising: An Explorative Study"

description: This is the dataset of paper "Towards Understanding iOS App Store SearchAdvertising: An Explorative Study". The "keywords.rar" file contains 3540 txt files which named after the iosid of the applications, and each of them records all the ASA keywords covered by the application between January 1st and 7th, 2021. The "detailedInformation.json" file records the detailed information of each app in the dataset, including iosid, app name, rank, category and the number of its ASA keywords.
DOI: 10.5281/zenodo.4660999
title: Dataset of paper "Towards Understanding iOS App Store SearchAdvertising: An Explorative Study"

description: This is the dataset of paper "Towards Understanding iOS App Store SearchAdvertising: An Explorative Study". The "keywords.rar" file contains 3540 txt files which named after the iosid of the applications, and each of them records all the ASA keywords covered by the application between January 1st and 7th, 2021. The "detailedInformation.json" file records the detailed information of each app in the dataset, including iosid, app name, rank, category and the number of its ASA keywords.
DOI: 10.6084/m9.figshare.14369225
title: Transferability of microsurgical suturing skill from a synthetic simulation model to rat model and factors that predict patency of blood vessel

description: 2018 Microsurgery dataset
DOI: 10.6084/m9.figshare.14369225.v1
title: Transferability of microsurgical suturing skill from a synthetic simulation model to rat model and factors that predict patency of blood vessel

description: 2018 Microsurgery dataset
DOI: 10.21227/bk3a-3j59
title: Forecast for February 05

description: Forecast for February 05
DOI: 10.5281/zenodo.4660451
title: Dataset gathered in HLU6 – UC02 (TC01), and - HLU6 – UC05 (TC01) - CROSSBOW PROJECT

description: Monitored voltages (kV), active power (MW) and reactive power(MVAr).
DOI: 10.5281/zenodo.4660450
title: Dataset gathered in HLU6 – UC02 (TC01), and - HLU6 – UC05 (TC01) - CROSSBOW PROJECT

description: Monitored voltages (kV), active power (MW) and reactive power(MVAr).
DOI: 10.3886/e135641
title: Data and Code for "Does team competition increase pro-social lending? Evidence from online microfinance"

description: This project contains the data collected and analysis used for the paper "Does team competition increase pro-social lending? Evidence from online microfinance," published in Games and Economic Behavior.<br><br>The paper investigates how team competition affects pro-social lending on the microfinance website kiva.org. First, field data is used to show that lenders who join a team make 1.2 more loans to entrepreneurs in developing countries through Kiva than those who do not join a team. Second, a large-scale randomized field experiment is run through team forums to show that lenders make more loans when exposed to a message that combines goal-setting and coordination, and that goal-setting alone can increase lending of previously inactive teams.<br><br>Materials included are:1) 4 Stata .dta files containing the data2) 1 Stata .do file containing the analysis code<br>
description: Users of kiva.org<br>.
description: other; web scraping;
DOI: 10.3886/e135641v1
title: Data and Code for "Does team competition increase pro-social lending? Evidence from online microfinance"

description: This project contains the data collected and analysis used for the paper "Does team competition increase pro-social lending? Evidence from online microfinance," published in Games and Economic Behavior.<br><br>The paper investigates how team competition affects pro-social lending on the microfinance website kiva.org. First, field data is used to show that lenders who join a team make 1.2 more loans to entrepreneurs in developing countries through Kiva than those who do not join a team. Second, a large-scale randomized field experiment is run through team forums to show that lenders make more loans when exposed to a message that combines goal-setting and coordination, and that goal-setting alone can increase lending of previously inactive teams.<br><br>Materials included are:1) 4 Stata .dta files containing the data2) 1 Stata .do file containing the analysis code<br>
description: Users of kiva.org<br>.
description: other; web scraping;
DOI: 10.5519/qd.rqw13c0g
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (2 records)
DOI: 10.5281/zenodo.4661079
title: Data simulations of Burkart et al. 2014_The evolutionary origin of human hyper-cooperation

description: Burkart et al. conducted phylogenetic regression analyses to investigate the evolutionary drivers of proactive prosociality. They tested 24 groups of 15 primate species, including humans, in a group-service paradigm, which provided the option to any member in the group to deliver a valuable food resource to group members – the provider could not benefit themselves. Within the sample, 4 species were assayed with several groups (range groups: 2-5) and <strong>11 species were assayed with only 1 group</strong>. In their primary regression analyses, the authors averaged prosociality scores across groups (within species) and ran a series of models from which they selected the best fitting one by means of AICc criteria. <strong>Question</strong>: if the authors had sampled multiple groups for each species, would the result and associated inferences about the evolutionary origins of human cooperation be the same?
DOI: 10.5281/zenodo.4661082
title: Determinants of Short Birth Intervals among married women: a cross-sectional study in Karachi, Pakistan

description: <strong>Abstract </strong> <strong>Introduction: </strong>Birth spacing is a critical pathway to improving reproductive health. The World Health Organization recommends a minimum of 33-month interval between two consecutive births to reduce maternal, perinatal, infant morbidity and mortality. Our study evaluated factors associated with short birth intervals (SBIs) of less than 33 months between two consecutive births, in Karachi, Pakistan. <strong>Methods:</strong> We used data from a cross-sectional study among married women of reproductive age (MWRA) who had at least one live birth in the six years preceding the survey (N=2394). Information regarding their sociodemographic characteristics, reproductive history, fertility preferences, family planning history, and a six-year reproductive calendar were collected. To identify factors associated with SBIs, we fitted simple and multiple Cox-proportional hazards models and computed hazard ratios (HR) with their 95% confidence intervals (CI). <strong>Results:</strong> The median birth interval was 25 months (IQR: 14-39 months), with 22.9% (833) of births occurring within 33 months of the index birth. Women’s increasing age [25-30 years (aHR=0.29, 95% CI: 0.53-0.75), 30+ years (aHR=0.29, 95% CI: 0.22-0.39) compared to &lt;25 years; secondary education [aHR 0.75, 95% CI: 0.63-0.88], intermediate education [aHR 0.62, 95% CI: 0.48-0.80], higher education (aHR=0.69, 95% CI: 0.51-0.92) compared to no education, and a male child of the index birth (aHR=0.81, 95% CI: 0.70-0.94) reduced the likelihood of SBIs. Women’s younger age &lt;20 years [aHR 1.1.24, 95% CI 1.05-1.24] compared to 20-24 years, and those who did not use contraception within 9-months of the index birth had a higher likelihood for SBIs for succeeding birth compared to those who used contraception (aHR=2.33, 95% CI: 1.93-2.58). <strong>Conclusion:</strong> Study shows that birth intervals in the study population are lower than the national average. To optimize birth intervals, programs should target child spacing strategies and counsel MWRA on the benefits of optimal birth spacing, family planning services and contraceptive utilization.
DOI: 10.5281/zenodo.4661081
title: Determinants of Short Birth Intervals among married women: a cross-sectional study in Karachi, Pakistan

description: <strong>Abstract </strong> <strong>Introduction: </strong>Birth spacing is a critical pathway to improving reproductive health. The World Health Organization recommends a minimum of 33-month interval between two consecutive births to reduce maternal, perinatal, infant morbidity and mortality. Our study evaluated factors associated with short birth intervals (SBIs) of less than 33 months between two consecutive births, in Karachi, Pakistan. <strong>Methods:</strong> We used data from a cross-sectional study among married women of reproductive age (MWRA) who had at least one live birth in the six years preceding the survey (N=2394). Information regarding their sociodemographic characteristics, reproductive history, fertility preferences, family planning history, and a six-year reproductive calendar were collected. To identify factors associated with SBIs, we fitted simple and multiple Cox-proportional hazards models and computed hazard ratios (HR) with their 95% confidence intervals (CI). <strong>Results:</strong> The median birth interval was 25 months (IQR: 14-39 months), with 22.9% (833) of births occurring within 33 months of the index birth. Women’s increasing age [25-30 years (aHR=0.29, 95% CI: 0.53-0.75), 30+ years (aHR=0.29, 95% CI: 0.22-0.39) compared to &lt;25 years; secondary education [aHR 0.75, 95% CI: 0.63-0.88], intermediate education [aHR 0.62, 95% CI: 0.48-0.80], higher education (aHR=0.69, 95% CI: 0.51-0.92) compared to no education, and a male child of the index birth (aHR=0.81, 95% CI: 0.70-0.94) reduced the likelihood of SBIs. Women’s younger age &lt;20 years [aHR 1.1.24, 95% CI 1.05-1.24] compared to 20-24 years, and those who did not use contraception within 9-months of the index birth had a higher likelihood for SBIs for succeeding birth compared to those who used contraception (aHR=2.33, 95% CI: 1.93-2.58). <strong>Conclusion:</strong> Study shows that birth intervals in the study population are lower than the national average. To optimize birth intervals, programs should target child spacing strategies and counsel MWRA on the benefits of optimal birth spacing, family planning services and contraceptive utilization.