cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2cp74g
title: CCDC 2195145: Experimental Crystal Structure Determination

description: Related Article: Peng Zhao, Ben-Song Xin, Shu-Yan Qin, Zhi-Yuan Li, Bin Lin, Guo-Dong Yao, Shao-Jiang Song, Xiao-Xiao Huang|2022|Org.Chem.Front.|9|6213|doi:10.1039/D2QO01261H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cp75h
title: CCDC 2195146: Experimental Crystal Structure Determination

description: Related Article: Peng Zhao, Ben-Song Xin, Shu-Yan Qin, Zhi-Yuan Li, Bin Lin, Guo-Dong Yao, Shao-Jiang Song, Xiao-Xiao Huang|2022|Org.Chem.Front.|9|6213|doi:10.1039/D2QO01261H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.7306849
title: Dataset related to article "Safety of Biologic Therapies in Patients with Moderate-to-Severe Plaque Psoriasis and Concomitant Viral Hepatitis: A Monocentric Retrospective Study "

description: This record contains raw data related to article “Safety of Biologic Therapies in Patients with Moderate-to-Severe Plaque Psoriasis and Concomitant Viral Hepatitis: A Monocentric Retrospective Study" Abstract <strong>Introduction: </strong> There are no strong data regarding the treatment with biologics (especially for the most recent anti-IL-17 and anti-IL-23 drugs) of patients with psoriasis and concomitant viral hepatitis. We assessed the safety of biologic drugs in patients with psoriasis who are seropositive for hepatitis B or C and did not receive antiviral prophylaxis. <strong>Methods: </strong> We conducted a retrospective single-center study. The efficacy of biologic treatments was evaluated by assessing the Psoriasis Area and Severity Index (PASI) score during all visits, for a minimum follow-up of 52 weeks. All patients were evaluated by a hepatologist before starting the treatment. They were monitored for reactivation of viral hepatitis. <strong>Results: </strong> Twenty patients had positive markers of hepatitis B virus (HBV) or hepatitis C virus (HCV). Seventeen patients had positive markers of HBV infection, and four patients had antibodies for HCV (one patient had serologic evidence of both infections). Anti-IL-23 biologics were the most used in our population, with risankizumab being the most prescribed drug. No patient had evidence of viral reactivation during our study. Study limitations include its retrospective nature and our inclusion of patients with different serological status receiving different biologic drugs. <strong>Conclusion: </strong> Biologic therapies (including anti-IL-23 drugs) appear to be safe in patients seropositive for HCV or HBV core antibody who did not receive antiviral prophylaxis.
DOI: 10.5281/zenodo.7306848
title: Dataset related to article "Safety of Biologic Therapies in Patients with Moderate-to-Severe Plaque Psoriasis and Concomitant Viral Hepatitis: A Monocentric Retrospective Study "

description: This record contains raw data related to article “Safety of Biologic Therapies in Patients with Moderate-to-Severe Plaque Psoriasis and Concomitant Viral Hepatitis: A Monocentric Retrospective Study" Abstract <strong>Introduction: </strong> There are no strong data regarding the treatment with biologics (especially for the most recent anti-IL-17 and anti-IL-23 drugs) of patients with psoriasis and concomitant viral hepatitis. We assessed the safety of biologic drugs in patients with psoriasis who are seropositive for hepatitis B or C and did not receive antiviral prophylaxis. <strong>Methods: </strong> We conducted a retrospective single-center study. The efficacy of biologic treatments was evaluated by assessing the Psoriasis Area and Severity Index (PASI) score during all visits, for a minimum follow-up of 52 weeks. All patients were evaluated by a hepatologist before starting the treatment. They were monitored for reactivation of viral hepatitis. <strong>Results: </strong> Twenty patients had positive markers of hepatitis B virus (HBV) or hepatitis C virus (HCV). Seventeen patients had positive markers of HBV infection, and four patients had antibodies for HCV (one patient had serologic evidence of both infections). Anti-IL-23 biologics were the most used in our population, with risankizumab being the most prescribed drug. No patient had evidence of viral reactivation during our study. Study limitations include its retrospective nature and our inclusion of patients with different serological status receiving different biologic drugs. <strong>Conclusion: </strong> Biologic therapies (including anti-IL-23 drugs) appear to be safe in patients seropositive for HCV or HBV core antibody who did not receive antiviral prophylaxis.
DOI: 10.6084/m9.figshare.21523539
title: Traffic and roadkill dataset

description: Traffic, road attributes, landscape and roadkill dataset used to analyze traffic effects on wildlife roadkill.
DOI: 10.6084/m9.figshare.21523658
title: Project Supplementary Materials from No strong evidence for universal gender differences in the development of cooperative behaviour across societies

description: File contains all code for running regression models, all data used in these models, and full numerical results for all models.
DOI: 10.6084/m9.figshare.21523658.v1
title: Project Supplementary Materials from No strong evidence for universal gender differences in the development of cooperative behaviour across societies

description: File contains all code for running regression models, all data used in these models, and full numerical results for all models.
DOI: 10.5281/zenodo.7080777
title: Raw data to: Molecular Interplay of ADAMTS13-MDTCS and von Willebrand Factor-A2: Deepened Insights from Extensive Atomistic Simulations

description: Structural ensembles of ADAMTS13-MDTCS in isolation and in interaction with the von Willebrand factor A2 domain, as obtained from extensive TIGER2h replica exchange simulations. Scripts to filter for certain binding states by given contacts, extract conformational clusters, a movie illustrating the binding transition between recruitment (Model2) and proteolytic (Model1) states, PDB files of both models for further investigation along with upcoming experimental verification.
DOI: 10.5281/zenodo.7080776
title: Raw data to: Molecular Interplay of ADAMTS13-MDTCS and von Willebrand Factor-A2: Deepened Insights from Extensive Atomistic Simulations

description: Structural ensembles of ADAMTS13-MDTCS in isolation and in interaction with the von Willebrand factor A2 domain, as obtained from extensive TIGER2h replica exchange simulations. Scripts to filter for certain binding states by given contacts, extract conformational clusters, a movie illustrating the binding transition between recruitment (Model2) and proteolytic (Model1) states, PDB files of both models for further investigation along with upcoming experimental verification.
DOI: 10.5281/zenodo.7299508
title: fabian-muff/Pairing-Conceptual-Modeling-with-Augmented-and-Virtual-Reality-A-Systematic-Review: Releas 0.1

description: This is a pre-releas for the zenodo doi
DOI: 10.6084/m9.figshare.21523724.v1
title: Additional file 1 of Risk factors for natural menopause before the age of 45: evidence from two British population-based birth cohort studies

description: Additional file 1: Supplemetary material. Risk factors for natural menopause before the age of 45: evidence from two British population-based birth cohort stuides. Harmonised variables used in the analysis (Table 1 Menopause status); classification of women into menopause status (Table 2.1, 2.2 Menopause status); descriptive statistics for all variables included in the analysis for each cohort separately (Table 3 Descriptive statistics); univariate and multivariate study specific (Tables 5,6 Study specific) and pooled (Table 4 Pooled models) regression models.
DOI: 10.6084/m9.figshare.21523724
title: Additional file 1 of Risk factors for natural menopause before the age of 45: evidence from two British population-based birth cohort studies

description: Additional file 1: Supplemetary material. Risk factors for natural menopause before the age of 45: evidence from two British population-based birth cohort stuides. Harmonised variables used in the analysis (Table 1 Menopause status); classification of women into menopause status (Table 2.1, 2.2 Menopause status); descriptive statistics for all variables included in the analysis for each cohort separately (Table 3 Descriptive statistics); univariate and multivariate study specific (Tables 5,6 Study specific) and pooled (Table 4 Pooled models) regression models.
DOI: 10.6084/m9.figshare.21523833
title: Additional file 1 of The impact of professional midwives and mentoring on the quality and availability of maternity care in government sub-district hospitals in Bangladesh: a mixed-methods observational study

description: Additional file 1:Table S1. Quotations and codes contributing to the theme “resistance to change”.
DOI: 10.6084/m9.figshare.21523833.v1
title: Additional file 1 of The impact of professional midwives and mentoring on the quality and availability of maternity care in government sub-district hospitals in Bangladesh: a mixed-methods observational study

description: Additional file 1:Table S1. Quotations and codes contributing to the theme “resistance to change”.
DOI: 10.6084/m9.figshare.21523842
title: Additional file 1 of Depot buprenorphine as an opioid agonist therapy in New South Wales correctional centres: a costing model

description: Additional file 1.
DOI: 10.6084/m9.figshare.21523842.v1
title: Additional file 1 of Depot buprenorphine as an opioid agonist therapy in New South Wales correctional centres: a costing model

description: Additional file 1.
DOI: 10.6084/m9.figshare.21523844
title: Additional file 10 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 10. Python script to setup algorithms input parameters for the hyperparameter tuning with GridSearchCV
DOI: 10.6084/m9.figshare.21523844.v1
title: Additional file 10 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 10. Python script to setup algorithms input parameters for the hyperparameter tuning with GridSearchCV
DOI: 10.6084/m9.figshare.21523850
title: Additional file 1 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 1. Table with PC-3 ChEMBL assays used to retrieve compounds activities
DOI: 10.6084/m9.figshare.21523850.v1
title: Additional file 1 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 1. Table with PC-3 ChEMBL assays used to retrieve compounds activities
DOI: 10.6084/m9.figshare.21523853
title: Additional file 2 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 2. Table with DU-145 ChEMBL assays used to retrieve compounds activities
DOI: 10.6084/m9.figshare.21523853.v1
title: Additional file 2 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 2. Table with DU-145 ChEMBL assays used to retrieve compounds activities
DOI: 10.6084/m9.figshare.21523856
title: Additional file 3 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 3. PC-3 initial dataset with the 123 RDKit descriptors calculated
DOI: 10.6084/m9.figshare.21523856.v1
title: Additional file 3 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 3. PC-3 initial dataset with the 123 RDKit descriptors calculated
DOI: 10.6084/m9.figshare.21523859
title: Additional file 4 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 4. DU-145 initial dataset with the 123 RDKit descriptors calculated
DOI: 10.6084/m9.figshare.21523859.v1
title: Additional file 4 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 4. DU-145 initial dataset with the 123 RDKit descriptors calculated
DOI: 10.6084/m9.figshare.21523862
title: Additional file 5 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 5. Table with UniProt ID associated with prostate cancer from UniProt and TTD
DOI: 10.6084/m9.figshare.21523862.v1
title: Additional file 5 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 5. Table with UniProt ID associated with prostate cancer from UniProt and TTD
DOI: 10.6084/m9.figshare.21523865
title: Additional file 6 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 6. Python script to generate the initial PC-3, DU-145 and PC-3/DU-145 datasets
DOI: 10.6084/m9.figshare.21523865.v1
title: Additional file 6 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 6. Python script to generate the initial PC-3, DU-145 and PC-3/DU-145 datasets
DOI: 10.6084/m9.figshare.21523868
title: Additional file 7 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 7. Python script to perform models training, validation and testing phase
DOI: 10.6084/m9.figshare.21523868.v1
title: Additional file 7 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 7. Python script to perform models training, validation and testing phase
DOI: 10.6084/m9.figshare.21523871
title: Additional file 8 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 8. Python script to perform training and testing phase of the combined PC-3/DU-145 models
DOI: 10.6084/m9.figshare.21523871.v1
title: Additional file 8 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 8. Python script to perform training and testing phase of the combined PC-3/DU-145 models
DOI: 10.6084/m9.figshare.21523874
title: Additional file 9 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 9. Python script to retrieve compounds-target relationship
DOI: 10.6084/m9.figshare.21523874.v1
title: Additional file 9 of Development of machine learning classifiers to predict compound activity on prostate cancer cell lines

description: Additional file 9. Python script to retrieve compounds-target relationship
DOI: 10.5281/zenodo.6411158
title: VIV Energy Harvesting with Bandwidth Enhancement

description: Dataset for circular pipe array piezoelectric energy harvester with influence from a central magnetic coupler. Magnetic coupler is either hollow or solid and is used to study the bandwidth enhancement properties of energy harvesting.
DOI: 10.5281/zenodo.6411157
title: VIV Energy Harvesting with Bandwidth Enhancement

description: Dataset for circular pipe array piezoelectric energy harvester with influence from a central magnetic coupler. Magnetic coupler is either hollow or solid and is used to study the bandwidth enhancement properties of energy harvesting.
DOI: 10.5281/zenodo.7306880
title: Dataset related to article "Real-Life Effectiveness and Safety of Risankizumab in 131 Patients Affected by Moderate-to-Severe Plaque Psoriasis: A 52-Week Retrospective Study"

description: This record contains raw data related to article “Real-Life Effectiveness and Safety of Risankizumab in 131 Patients Affected by Moderate-to-Severe Plaque Psoriasis: A 52-Week Retrospective Study" Abstract <strong>Introduction: </strong> Risankizumab is a humanized monoclonal antibody that selectively targets interleukin-23. It is approved for treatment of moderate-to-severe plaque psoriasis. We conducted a 52-week monocentric retrospective study to evaluate the effectiveness and safety of risankizumab in a real-life setting. <strong>Methods: </strong> Our study included 131 adults with moderate-to-severe plaque psoriasis all treated with risankizumab for at least 52 weeks. Patient characteristics and PASI (Psoriasis Area and Severity Index) at each visit were recorded. The percentages of patients achieving 75%/90%/100% (PASI 75/90/100) improvement in PASI with respect to baseline were registered. <strong>Results: </strong> At week 52, 93.9%, 78.6%, and 61.1% of patients achieved PASI 75/90/100, respectively. An absolute PASI ≤ 2 was reached by 90.8% at week 52. The higher body mass index and the presence of cardio-metabolic comorbidities did not interfere with the odds of reaching PASI 75/90/100 at each time-point. At week 52, comparable percentages of patients achieved PASI 100, regardless of the involvement of difficult-to-treat-areas. No significant safety findings were recorded and none of the patients had to interrupt the treatment because of adverse events. <strong>Conclusions: </strong> Our findings confirmed that risankizumab is a safe and effective therapeutic option for the treatment of a wide "real-life" cohort of patients with psoriasis.
DOI: 10.5281/zenodo.7306879
title: Dataset related to article "Real-Life Effectiveness and Safety of Risankizumab in 131 Patients Affected by Moderate-to-Severe Plaque Psoriasis: A 52-Week Retrospective Study"

description: This record contains raw data related to article “Real-Life Effectiveness and Safety of Risankizumab in 131 Patients Affected by Moderate-to-Severe Plaque Psoriasis: A 52-Week Retrospective Study" Abstract <strong>Introduction: </strong> Risankizumab is a humanized monoclonal antibody that selectively targets interleukin-23. It is approved for treatment of moderate-to-severe plaque psoriasis. We conducted a 52-week monocentric retrospective study to evaluate the effectiveness and safety of risankizumab in a real-life setting. <strong>Methods: </strong> Our study included 131 adults with moderate-to-severe plaque psoriasis all treated with risankizumab for at least 52 weeks. Patient characteristics and PASI (Psoriasis Area and Severity Index) at each visit were recorded. The percentages of patients achieving 75%/90%/100% (PASI 75/90/100) improvement in PASI with respect to baseline were registered. <strong>Results: </strong> At week 52, 93.9%, 78.6%, and 61.1% of patients achieved PASI 75/90/100, respectively. An absolute PASI ≤ 2 was reached by 90.8% at week 52. The higher body mass index and the presence of cardio-metabolic comorbidities did not interfere with the odds of reaching PASI 75/90/100 at each time-point. At week 52, comparable percentages of patients achieved PASI 100, regardless of the involvement of difficult-to-treat-areas. No significant safety findings were recorded and none of the patients had to interrupt the treatment because of adverse events. <strong>Conclusions: </strong> Our findings confirmed that risankizumab is a safe and effective therapeutic option for the treatment of a wide "real-life" cohort of patients with psoriasis.
DOI: 10.15129/477fd1d6-12b7-441b-a1d1-931f08ce47b8
title: Products from Oxidative Addition of Phenylsilane to the Complete Series of [AM{Al(NONDipp)}]2 Aluminyl Complexes (AM = Li, Na, K, Rb, Cs)

description: The dataset contains the following 3 files: 1. IR Data (zip file) 2. NMR Data (zip file) 3. X-Ray raw data (zip file) The dataset relates to research reported in the manuscript in the title, carried out as part of the EPSRC funded (EP/S029788/1) project in collaboration with Prof. Martyn Coles group in Victoria University of Wellington, New Zealand (Funding for the Martyn Coles group: Government funding from the Marsden Fund Council, managed by Royal Society Te Apārangi; Grant Number: MFP-VUW2020). Please note that the NMR data requires a specialist program such as Topspin or Mestrelab, and the X-Ray data (.cif) requires a program such as Olex or Mercury to view. The IR data can be viewed using Origin software.
DOI: 10.25502/qf1d-fb30/d
title: Efficacy of maize varieties against Spodoptera frugiperda (Lepidoptera: Noctuidae) in the Tropical humid forest of Cameroon

description: Determine the effect of maize varieties on fall armyworm populations
DOI: 10.5281/zenodo.7044013
title: Crop Prices and Deforestation in the Tropics

description: We provide the stata files that allow to reproduce the results presented in the paper <br> "Crop Prices and Deforestation in the Tropics" by Nicolas Berman, Mathieu Couttenier, Antoine Leblois and Raphaël Soubeyran. The replication folder contains different files:<br> 1- *.dta file: database<br> 2- *.do file: do-file containing the codes to replicate the results (figures and tables)<br> 3- * Ancillary data: <br> .csv file: data needed to produce a map of the initial forest cover (in 2000). <br> .dta additional files to run sensitivity analysis Simply change the path to files (on line 25 of the replication_code.do file) to re-run the analysis:<br> ** Change pathway to load and save the data<br> global dir ".../Replication_files_BCLS_2022" <br> Stata 17 was used for this work.
description: Abstract: Global food demand is rising, driven by a growing world population and dietary changes in developing countries. This situation encourages farmers to increase crop production which, in turn, increases worldwide demand for agricultural land and the pressure on tropical forests. Given the probability that growth in world food demand will continue, this pressure is not likely to abate in coming decades. While the impactof food demand on deforestation has been in the headlines, rigorous evidence of the relationship between international crop prices and deforestation using large-N data remains scarce. We attempt to quantify this link during the twenty-first century using high-resolution annual forest loss data for tropical regions, combined with information on crop-specific agricultural suitability and annual global commodity prices. We find that price variation has a sizable impact on deforestation: crop price increases are estimated to be responsible for a third of the total deforested area in the tropics (approx. 2 million km 2 ) during the period 2001-2018. We also find that the degree of openness to international trade and level of economic development are first-order local characteristics affecting the magnitude of the impact of crop prices on deforestation.