cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc274q37
title: CCDC 2060108: Experimental Crystal Structure Determination

description: Related Article: Lydie Viau, Michael Knorr, Lena Knauer, Lukas Brieger, Carsten Strohmann|2022|Dalton Trans.|51|7581|doi:10.1039/D2DT00800A
DOI: 10.5517/ccdc.csd.cc29yb6t
title: CCDC 2143346: Experimental Crystal Structure Determination

description: Related Article: Asahi Takiguchi, Naoto Inai, Seongsoo Kang, Masaya Hagai, Seokwon Lee, Takeshi Yanai, Dongho Kim, Hiroshi Shinokubo|2022|Chem.Commun.|58|5956|doi:10.1039/D2CC00522K
DOI: 10.5517/ccdc.csd.cc29yb5s
title: CCDC 2143345: Experimental Crystal Structure Determination

description: Related Article: Asahi Takiguchi, Naoto Inai, Seongsoo Kang, Masaya Hagai, Seokwon Lee, Takeshi Yanai, Dongho Kim, Hiroshi Shinokubo|2022|Chem.Commun.|58|5956|doi:10.1039/D2CC00522K
DOI: 10.5517/ccdc.csd.cc29jdnx
title: CCDC 2130929: Experimental Crystal Structure Determination

description: Related Article: Ding-Chong Han, Yu-Hui Tan, Jia-Hui Wen, Yun-Zhi Tang, Peng-Fei Wu, Yu-Kong Li, Ming-Yang Wan, Xiao-Wei Fan|2022|CrystEngComm|24|3630|doi:10.1039/D2CE00236A
DOI: 10.5517/ccdc.csd.cc29z18m
title: CCDC 2144030: Experimental Crystal Structure Determination

description: Related Article: Wei-Wei Wu, Ze-Yu Ruan, Chen-Guang Shi, Jin-Tao Mai, Wen Cui, Zhao-Ping Ni, Si-Guo Wu, Ming-Liang Tong|2022|CrystEngComm|24|3597|doi:10.1039/D2CE00445C
DOI: 10.5517/ccdc.csd.cc29z17l
title: CCDC 2144029: Experimental Crystal Structure Determination

description: Related Article: Wei-Wei Wu, Ze-Yu Ruan, Chen-Guang Shi, Jin-Tao Mai, Wen Cui, Zhao-Ping Ni, Si-Guo Wu, Ming-Liang Tong|2022|CrystEngComm|24|3597|doi:10.1039/D2CE00445C
DOI: 10.5517/ccdc.csd.cc274q6b
title: CCDC 2060111: Experimental Crystal Structure Determination

description: Related Article: Lydie Viau, Michael Knorr, Lena Knauer, Lukas Brieger, Carsten Strohmann|2022|Dalton Trans.|51|7581|doi:10.1039/D2DT00800A
DOI: 10.5203/r9qv-x372
title: geological-surface-features-for-north-dakota-north-dakota
DOI: 10.5517/ccdc.csd.cc28ntc4
title: CCDC 2105376: Experimental Crystal Structure Determination

description: Related Article: Lydie Viau, Michael Knorr, Lena Knauer, Lukas Brieger, Carsten Strohmann|2022|Dalton Trans.|51|7581|doi:10.1039/D2DT00800A
DOI: 10.5517/ccdc.csd.cc2b7g35
title: CCDC 2152116: Experimental Crystal Structure Determination

description: Related Article: Lydie Viau, Michael Knorr, Lena Knauer, Lukas Brieger, Carsten Strohmann|2022|Dalton Trans.|51|7581|doi:10.1039/D2DT00800A
DOI: 10.5517/ccdc.csd.cc28ntb3
title: CCDC 2105375: Experimental Crystal Structure Determination

description: Related Article: Lydie Viau, Michael Knorr, Lena Knauer, Lukas Brieger, Carsten Strohmann|2022|Dalton Trans.|51|7581|doi:10.1039/D2DT00800A
DOI: 10.5517/ccdc.csd.cc29z1bp
title: CCDC 2144032: Experimental Crystal Structure Determination

description: Related Article: Wei-Wei Wu, Ze-Yu Ruan, Chen-Guang Shi, Jin-Tao Mai, Wen Cui, Zhao-Ping Ni, Si-Guo Wu, Ming-Liang Tong|2022|CrystEngComm|24|3597|doi:10.1039/D2CE00445C
DOI: 10.5517/ccdc.csd.cc28qjg0
title: CCDC 2107022: Experimental Crystal Structure Determination

description: Related Article: Archana Yadav, A. Bieńko, D.C. Bieńko, D. Wojtala, Kafeel Ahmad Siddiqui|2022|Polyhedron|222|115892|doi:10.1016/j.poly.2022.115892
DOI: 10.5517/ccdc.csd.cc28qjh1
title: CCDC 2107023: Experimental Crystal Structure Determination

description: Related Article: Archana Yadav, A. Bieńko, D.C. Bieńko, D. Wojtala, Kafeel Ahmad Siddiqui|2022|Polyhedron|222|115892|doi:10.1016/j.poly.2022.115892
DOI: 10.3886/e113299v1-118380
title: Replication data for: Not All Oil Price Shocks Are Alike: Disentangling Demand and Supply Shocks in the Crude Oil Market

description: Shocks to the real price of oil may reflect oil supply shocks, shocks to the global demand for all industrial commodities, or demand shocks that are specific to the crude oil market. Each shock has different effects on the real price of oil and on US macroeconomic aggregates. Changes in the composition of shocks help explain why regressions of macroeconomic aggregates on oil prices tend to be unstable. Evidence that the recent surge in oil prices was driven primarily by global demand shocks helps explain why this shock so far has failed to cause a major recession in the United States. (JEL E31, E32, Q41, Q43)
DOI: 10.3886/e113299v1-118381
title: Replication data for: Not All Oil Price Shocks Are Alike: Disentangling Demand and Supply Shocks in the Crude Oil Market

description: Shocks to the real price of oil may reflect oil supply shocks, shocks to the global demand for all industrial commodities, or demand shocks that are specific to the crude oil market. Each shock has different effects on the real price of oil and on US macroeconomic aggregates. Changes in the composition of shocks help explain why regressions of macroeconomic aggregates on oil prices tend to be unstable. Evidence that the recent surge in oil prices was driven primarily by global demand shocks helps explain why this shock so far has failed to cause a major recession in the United States. (JEL E31, E32, Q41, Q43)
DOI: 10.18727/archive/56
title: VISTA EXtension to Auxiliary Surveys (VEXAS)

description: The aim of VEXAS is to build the widest multi-wavelength catalogues (from X-ray to radio), providing reference magnitudes, colours and morphological information for a large number of scientific uses: object classification (e.g., quasars, galaxies, and stars, K21; high-z galaxies, white dwarfs, etc.); photometric redshifts of large galaxy samples; searches of exotic objects (e.g., extremely red objects and lensed quasars). As of March 2021, the VEXAS catalogue is the widest and deepest public optical-to- IR photometric and spectroscopic database in the Southern Hemisphere.
description: This is a dynamic dataset; it is growing as new data is added. The DOI refers to the newest available dataset.
DOI: 10.6084/m9.figshare.19768498
title: Supplementary files: The global prevalence and association between the risk of myocarditis and mRNA-based COVID-19 vaccination: A network meta-analysis

description: Supplementary files: The global prevalence and association between the risk of myocarditis and mRNA-based COVID-19 vaccination: A network meta-analysis
DOI: 10.6084/m9.figshare.19768498.v3
title: Supplementary files: The global prevalence and association between the risk of myocarditis and mRNA-based COVID-19 vaccination: A network meta-analysis

description: Supplementary files: The global prevalence and association between the risk of myocarditis and mRNA-based COVID-19 vaccination: A network meta-analysis
DOI: 10.6084/m9.figshare.19768498.v2
title: Supplementary files: The global prevalence and association between the risk of myocarditis and mRNA-based COVID-19 vaccination: A network meta-analysis

description: Supplementary files: The global prevalence and association between the risk of myocarditis and mRNA-based COVID-19 vaccination: A network meta-analysis
DOI: 10.6084/m9.figshare.19780285
title: List of avian species.xlsx

description: List of avian specialization indices values for diet, foraging behavior, foraging substrate, and habitat traits reported in Morelli et al., 2019 comprising 113 European avian species recorded in Benedetti et al. 2022.
DOI: 10.6084/m9.figshare.19780285.v1
title: List of avian species.xlsx

description: List of avian specialization indices values for diet, foraging behavior, foraging substrate, and habitat traits reported in Morelli et al., 2019 comprising 113 European avian species recorded in Benedetti et al. 2022.
DOI: 10.6073/pasta/37d0b982f88a2bf3cc800a9aac803fec
title: Barre Woods Soil Warming Experiment at Harvard Forest since 2001

description: Two of the major results of our original soil warming study were that: (1) warming stimulated the decay of a labile soil carbon pool; and (2) it also increased the availability of inorganic nitrogen to plants. Because of the small size of the original warming plots an important question we have not been able to answer conclusively is: Has the increase in available nitrogen led to an increase in carbon storage in the vegetation? And if yes, how much? In a systems context an additional question is: What is the balance between the carbon lost from the soil and the carbon stored in the vegetation in response to soil warming? We are now addressing these important questions with a new warming experiment in the Barre Woods area of the Harvard Forest. The Barre Woods site was chosen because it is of similarities to the Prospect Hill site - stand age, tree species composition, and soil type. There is no evidence of a plow horizon at the Barre Woods site, though surrounding stone walls indicate past use as pastureland. Historical records indicate the site was destroyed during the 1938 hurricane and then regrew naturally. During the summer and fall of 2001 we buried 3.4 miles of heating cable in a 30 x 30m plot. Cables were buried at a 10cm depth, spaced 20cm apart. A second 30 x 30m area was delineated to serve as the control plot. Results from the original soil warming experiment confirmed that the soil disturbance associated with the installation of heating cables has had no effect on soil temperatures and only minor and variable impacts on soil moisture. In April 2002, we began a one-year period of baseline measurements before turning on the heat in the new megaplot. These measurements included nitrogen mineralization, trace gas fluxes (CO2, CH4, N2O), tree growth (dendrometer bands), an under story species survey, canopy foliage analysis (C:N, NIR), and lysimetry. Thermistors were installed in both plots to begin tracking soil temperatures. The baseline measurements have confirmed that there are no significant differences between the two plots for key ecosystem processes prior to the initiation of the warming manipulation. We will turn on the power in April 2003 to begin the "manipulation phase" of this study. From this study, we expect to determine whether or not warming results in the movement of nitrogen from the soil to the trees and to learn how this movement affects the net carbon balance of the ecosystem.
DOI: 10.5281/zenodo.6008390
title: Improving ERA5-Land soil temperature in permafrost regions

description: Cao et al. (2020) have previously reported a warm bias in ERA5-Land soil temperature in permafrost regions that was supposedly being caused by an underestimation of the snow density. This study evaluates a new multi-layer snow scheme in the land surface scheme of ERA5-Land, i.e., HTESSEL, with a revised snow densification parametrization. The revised HTESSEL significantly improved the representation of soil temperature in permafrost regions compared to ERA5-Land. The original simulation data, on the Octahedral reduced gaussian grid, were interpolated on a 0.25/0.25 regular lat/lon grid (global) and aggregated in daily mean from 2000-01-01 to 2018-12-31. More information on the dataset is contained in info_dataset.txt
description: {"references": ["Cao, B., Arduini, G., and Zsoter, E.: Brief communication: Improving ERA5-Land soil temperature in permafrost regions using an optimized multi-layer snow scheme, The Cryosphere Discuss. [preprint], https://doi.org/10.5194/tc-2022-71, in review, 2022.", "Arduini, G., et al. \"Impact of a multi\u2010layer snow scheme on near\u2010surface weather forecasts.\" Journal of Advances in Modeling Earth Systems 11.12 (2019): 4687-4710."]}
DOI: 10.5281/zenodo.6008389
title: Improving ERA5-Land soil temperature in permafrost regions

description: Cao et al. (2020) have previously reported a warm bias in ERA5-Land soil temperature in permafrost regions that was supposedly being caused by an underestimation of the snow density. This study evaluates a new multi-layer snow scheme in the land surface scheme of ERA5-Land, i.e., HTESSEL, with a revised snow densification parametrization. The revised HTESSEL significantly improved the representation of soil temperature in permafrost regions compared to ERA5-Land. The original simulation data, on the Octahedral reduced gaussian grid, were interpolated on a 0.25/0.25 regular lat/lon grid (global) and aggregated in daily mean from 2000-01-01 to 2018-12-31. More information on the dataset is contained in info_dataset.txt
description: {"references": ["Cao, B., Arduini, G., and Zsoter, E.: Brief communication: Improving ERA5-Land soil temperature in permafrost regions using an optimized multi-layer snow scheme, The Cryosphere Discuss. [preprint], https://doi.org/10.5194/tc-2022-71, in review, 2022.", "Arduini, G., et al. \"Impact of a multi\u2010layer snow scheme on near\u2010surface weather forecasts.\" Journal of Advances in Modeling Earth Systems 11.12 (2019): 4687-4710."]}
DOI: 10.6084/m9.figshare.19733222
title: Molecular docking-based interactions in QSAR studies on <i>Mycobacterium tuberculosis</i> ATP synthase inhibitors

description: Tuberculosis (TB) is a global threat with a large burden across the continents in terms of mortality, morbidity, and financial losses. The disease has evolved into multi-drug-resistant (MDR-TB) and extensively drug-resistant (XDR-TB) tuberculosis owing to numerous factors ranging from patients’ non-compliance to demographical implications. There have been very few new drugs for resistant TB. Resistance has already been reported even for the newly introduced drug bedaquiline. An attempt has been made to integrate both structure-based and QSAR drug design techniques (QSAR-SBDD) for the identification of novel leads. The docking scores normally do not correlate with the activity. Hence, the docking results have been analysed in terms of the number of interactions rather than docking scores. The parameters derived from interactions have been used in developing the QSAR models. The best model shows a good correlation (<i>r</i> = 0.908) between the activity and interaction parameter ‘C’ describing the sum of all the interactions with each amino acid residue. This model also predicts external dataset with a good correlation (<i>r</i><sub>ext</sub> = 0.851) and can be used for the identification of novel chemical entities (NCEs) and repurposed drugs for TB therapeutics.
DOI: 10.6084/m9.figshare.19733222.v1
title: Molecular docking-based interactions in QSAR studies on <i>Mycobacterium tuberculosis</i> ATP synthase inhibitors

description: Tuberculosis (TB) is a global threat with a large burden across the continents in terms of mortality, morbidity, and financial losses. The disease has evolved into multi-drug-resistant (MDR-TB) and extensively drug-resistant (XDR-TB) tuberculosis owing to numerous factors ranging from patients’ non-compliance to demographical implications. There have been very few new drugs for resistant TB. Resistance has already been reported even for the newly introduced drug bedaquiline. An attempt has been made to integrate both structure-based and QSAR drug design techniques (QSAR-SBDD) for the identification of novel leads. The docking scores normally do not correlate with the activity. Hence, the docking results have been analysed in terms of the number of interactions rather than docking scores. The parameters derived from interactions have been used in developing the QSAR models. The best model shows a good correlation (<i>r</i> = 0.908) between the activity and interaction parameter ‘C’ describing the sum of all the interactions with each amino acid residue. This model also predicts external dataset with a good correlation (<i>r</i><sub>ext</sub> = 0.851) and can be used for the identification of novel chemical entities (NCEs) and repurposed drugs for TB therapeutics.
DOI: 10.6084/m9.figshare.19733225
title: In silico prediction of mosquito repellents for clothing application

description: Use of protective clothing is a simple and efficient way to reduce the contacts with mosquitoes and consequently the probability of transmission of diseases spread by them. This mechanical barrier can be enhanced by the application of repellents. Unfortunately the number of available repellents is limited. As a result, there is a crucial need to find new active and safer molecules repelling mosquitoes. In this context, a structure-activity relationship (SAR) model was proposed for the design of repellents active on clothing. It was computed from a dataset of 2027 chemicals for which repellent activity on clothing was measured against <i>Aedes aegypti</i>. Molecules were described by means of 20 molecular descriptors encoding physicochemical properties, topological information and structural features. A three-layer perceptron was used as statistical tool. An accuracy of 87% was obtained for both the training and test sets. Most of the wrong predictions can be explained. Avenues for increasing the performances of the model have been proposed.
DOI: 10.6084/m9.figshare.19733225.v1
title: In silico prediction of mosquito repellents for clothing application

description: Use of protective clothing is a simple and efficient way to reduce the contacts with mosquitoes and consequently the probability of transmission of diseases spread by them. This mechanical barrier can be enhanced by the application of repellents. Unfortunately the number of available repellents is limited. As a result, there is a crucial need to find new active and safer molecules repelling mosquitoes. In this context, a structure-activity relationship (SAR) model was proposed for the design of repellents active on clothing. It was computed from a dataset of 2027 chemicals for which repellent activity on clothing was measured against <i>Aedes aegypti</i>. Molecules were described by means of 20 molecular descriptors encoding physicochemical properties, topological information and structural features. A three-layer perceptron was used as statistical tool. An accuracy of 87% was obtained for both the training and test sets. Most of the wrong predictions can be explained. Avenues for increasing the performances of the model have been proposed.
DOI: 10.6084/m9.figshare.19228684
title: Observations and evolutionary considerations on trophic egg provisioning in snakeheads (Teleostei: Channidae)

description: The provisioning of trophic eggs is exceedingly rare in fish, with only a single example of a species exhibiting this behaviour reported in the scientific literature: the Lake Malawi catfish Bagrus meridionalis. However, observations in captivity suggest that the behaviour is widespread and likely universal among all species within the most species-rich lineage of <i>Channa</i>. The evolution of trophic eggs could have led to the large adaptive radiation found in the C. gachua Group, which comprises almost half of the species diversity within the genus.
DOI: 10.6084/m9.figshare.19228684.v1
title: Observations and evolutionary considerations on trophic egg provisioning in snakeheads (Teleostei: Channidae)

description: The provisioning of trophic eggs is exceedingly rare in fish, with only a single example of a species exhibiting this behaviour reported in the scientific literature: the Lake Malawi catfish Bagrus meridionalis. However, observations in captivity suggest that the behaviour is widespread and likely universal among all species within the most species-rich lineage of <i>Channa</i>. The evolution of trophic eggs could have led to the large adaptive radiation found in the C. gachua Group, which comprises almost half of the species diversity within the genus.
DOI: 10.5203/v9nd-sa91
title: hiresnlm2
DOI: 10.34740/kaggle/dsv/3652083
title: Mahanagar Yatayat Dataset
DOI: 10.6084/m9.figshare.19780303
title: SM-Do-file WD COVID markets Peru (updated-revised)v5.do

description: Do-file for replication of analyses
DOI: 10.6084/m9.figshare.19780303.v1
title: SM-Do-file WD COVID markets Peru (updated-revised)v5.do

description: Do-file for replication of analyses
DOI: 10.6084/m9.figshare.19780264
title: Characterising unity and diversity of functional neuroanatomical correlates of executive functions

description: Behavioural and neuroimaging data are attached
DOI: 10.6084/m9.figshare.19780264.v1
title: Characterising unity and diversity of functional neuroanatomical correlates of executive functions

description: Behavioural and neuroimaging data are attached
DOI: 10.6084/m9.figshare.19773442
title: Dataset for Relationship for Depression, Self-Esteem and Lifestyle Factors Among University Students in Singapore and Malaysia

description: Dataset for Relationship for Depression, Self-Esteem and Lifestyle Factors Among University Students in Singapore and Malaysia
DOI: 10.5281/zenodo.6557700
title: Proximity

description: These are the k-Proximity datasets introduced in "Shortest Path Networks for Graph Property Prediction".
DOI: 10.5281/zenodo.6557653
title: Proximity

description: These are the k-Proximity datasets introduced in "Shortest Path Networks for Graph Property Prediction".
DOI: 10.5281/zenodo.6557654
title: Proximity

description: These are the k-Proximity datasets introduced in "Shortest Path Networks for Graph Property Prediction".
DOI: 10.6084/m9.figshare.19780342
title: DsyRegNet: A dataset to demo the software/code

description: A dataset to demo the software tool DysRegNet https://github.com/biomedbigdata/DysRegNet_package <br> <br> <br> Original paper: DysRegNet: Patient-specific and confounder-aware dysregulated network inference doi: https://doi.org/10.1101/2022.04.29.490015
DOI: 10.5203/1rm9-vt19
title: hiresanim3
DOI: 10.5203/3pbd-3t73
title: hydrologic-unit-4-subwatershed
DOI: 10.5203/ywqt-vp63
title: lake-winnipeg-chemistry-1994-2012
DOI: 10.5203/4qza-h749
title: lake-winnipeg-phytoplankton-taxonomy-1969-1992
DOI: 10.5203/zttj-f259
title: lake-winnipeg-watershed-basemap-layers
DOI: 10.6084/m9.figshare.19780318
title: phantom1_calibration_focus_at_test.npz

description: Dataset for Calibration Work. The paper will be published very soon.
DOI: 10.6084/m9.figshare.19780318.v1
title: phantom1_calibration_focus_at_test.npz

description: Dataset for Calibration Work. The paper will be published very soon.
DOI: 10.17632/tnfw2dh5nj.1
title: Web of Science Transportation Dataset (WST202201)

description: The Web of Science Transportation Dataset (WST202201) was collected from the well-known academic database Web of Science. We collected in aggregate 21,446 research article abstracts in the English language from about 20 categories of academic disciplines in the Web of Science, such as transportation science and technology, engineering, environmental science, telecommunications, economics, computer science, business, and others. The collected article abstracts were limited to the publishing years 2000 to 2022. Excluded were publications including news items, corrections, book chapters, data papers, book reviews, letters, editorial materials, and others. Each document in the dataset has three attributes: Article Title, Abstract, and Publication Year.
This dataset was built to discover parameters for the academic-focused aspects of transportation as part of our deep journalism approach and DeepJournal tool. The deep journalism approach uses big data, deep learning, and digital methods to discover and analyse cross-sectional multi-perspective information to enable better decision making and develop better instruments for academic, corporate, national, and international governance. We discovered a total of 49 transportation parameters from the academic dataset and grouped them into 6 macro-parameters: Policy, Planning & Sustainability; Transportation Modes; Logistics & SCM; Pollution; Technologies; and Modelling. 

The other two transportation datasets related to this dataset used in the deep journalism approach include the Guardian Transportation Dataset (GT202201: http://dx.doi.org/10.17632/yvxx6s5xhh.1) and the Traffic Technology Today Transportation Dataset (TTIT202201: http://dx.doi.org/10.17632/k4bgjwktyp.1). 

Further details of the dataset, its collection, and usage for deep journalism including detection of the multi-perspective parameters for transportation can be found in our article here: https://doi.org/10.3390/su14095711.