cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/bfxp7p422w
title: Energy-Aware Software Design: Experimental Setup, Data, and Results

description: Motivated by data transparency and the goal of shortening the length of our paper, the data utilized during the development and experimental evaluation of our algorithm is shared here.

The content in this page includes the following:
- The experimental setup for every sample in test cases 1 through 4, and the setup of the final experiment with Blender.
- The RADIANCE+ project (RADIANCE+ project.rad) with all the data pertaining to the the setup of the BBCP profiles, the expert algorithm, and the complimentary data involved in each sample. Consult the "Steps to reproduce" section available below for detailed information about this file.
- The results per sample for each test case, which are replicable through the RADIANCE+ project.

RADIANCE+ live is accessible through the following URL:
https://joalago.github.io/RADIANCE_latest/

More information about RADIANCE+ can be found in its official webpage: 
https://webdiis.unizar.es/~silarri/prot/RADIANCEplus/

RADIANCE+ implements the BBCP DSL, which we used during the development of the profiles employed by our algorithm. For more information about the BBCP, you can access its official webpage here:
https://webdiis.unizar.es/~silarri/prot/BBCP/

More information about our methodology for green software design can be consulted here (embargoed until 2025-M07-D02):
https://zaguan.unizar.es/record/160828
DOI: 10.17632/bfxp7p422w.2
title: Energy-Aware Software Design: Experimental Setup, Data, and Results

description: Motivated by data transparency and the goal of shortening the length of our paper, the data utilized during the development and experimental evaluation of our algorithm is shared here.

The content in this page includes the following:
- The experimental setup for every sample in test cases 1 through 4, and the setup of the final experiment with Blender.
- The RADIANCE+ project (RADIANCE+ project.rad) with all the data pertaining to the the setup of the BBCP profiles, the expert algorithm, and the complimentary data involved in each sample. Consult the "Steps to reproduce" section available below for detailed information about this file.
- The results per sample for each test case, which are replicable through the RADIANCE+ project.

RADIANCE+ live is accessible through the following URL:
https://joalago.github.io/RADIANCE_latest/

More information about RADIANCE+ can be found in its official webpage: 
https://webdiis.unizar.es/~silarri/prot/RADIANCEplus/

RADIANCE+ implements the BBCP DSL, which we used during the development of the profiles employed by our algorithm. For more information about the BBCP, you can access its official webpage here:
https://webdiis.unizar.es/~silarri/prot/BBCP/

More information about our methodology for green software design can be consulted here (embargoed until 2025-M07-D02):
https://zaguan.unizar.es/record/160828
DOI: 10.17632/vztd74833y
title: Herding behavior in the Brazilian stock market during COVID-19

description: Prices for B3 firms
DOI: 10.17632/vztd74833y.1
title: Herding behavior in the Brazilian stock market during COVID-19

description: Prices for B3 firms
DOI: 10.15468/dl.va9hz7
title: Occurrence Download

description: A dataset containing 696 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Palpita vitrealis",
 "Country is Germany",
 "HasCoordinate is true"
 ]
}

 The dataset includes 696 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0053928-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.29819211
title: Dissolving microneedle patches for transdermal delivery of paroxetine: <i>in-vitro, ex-vivo</i> studies and its PBPK modeling

description: Paroxetine HCl (PRX-HCl), an antidepressant, has poor water solubility and low oral bioavailability with 50% being metabolized in the liver. The oral formulations have multiple side effects. The present work aimed to develop dissolving microneedle patches (MNPs) of PRX-HCl to resolve low bioavailability and side effect issues while achieving enhanced transdermal delivery. Three silicone templates of varying dimensions were used to fabricate 27 blank and nine PRX-HCl MNPs with PVP and PVA through mold casting method. MNPs were evaluated for physicochemical properties, <i>in-vitro release, and ex-vivo permeation</i>. The optimized MNP was further analyzed for FTIR, DSC, skin penetration, <i>in-silico</i> PBPK modeling, and stability. MNPs from the optimized formulation successfully created microchannels in rat skin, demonstrated higher permeation than control MNPs with a flux of 146.18 ± 13.42 µg/cm<sup>2</sup>/h, presented a decrease in lag phase and an increase in drug plasma C<sub>max</sub> and AUC compared to PAXIL CR 12.5 mg oral, and showed higher stability in the room and refrigerator conditions. The prepared MNPs were stable and can deliver PRX-HCl sufficiently across skin barrier with enhanced bioavailability compared to oral administration at similar doses and thus be a better alternative to already available delivery systems for PRX-HCl.
DOI: 10.6084/m9.figshare.29819211.v1
title: Dissolving microneedle patches for transdermal delivery of paroxetine: <i>in-vitro, ex-vivo</i> studies and its PBPK modeling

description: Paroxetine HCl (PRX-HCl), an antidepressant, has poor water solubility and low oral bioavailability with 50% being metabolized in the liver. The oral formulations have multiple side effects. The present work aimed to develop dissolving microneedle patches (MNPs) of PRX-HCl to resolve low bioavailability and side effect issues while achieving enhanced transdermal delivery. Three silicone templates of varying dimensions were used to fabricate 27 blank and nine PRX-HCl MNPs with PVP and PVA through mold casting method. MNPs were evaluated for physicochemical properties, <i>in-vitro release, and ex-vivo permeation</i>. The optimized MNP was further analyzed for FTIR, DSC, skin penetration, <i>in-silico</i> PBPK modeling, and stability. MNPs from the optimized formulation successfully created microchannels in rat skin, demonstrated higher permeation than control MNPs with a flux of 146.18 ± 13.42 µg/cm<sup>2</sup>/h, presented a decrease in lag phase and an increase in drug plasma C<sub>max</sub> and AUC compared to PAXIL CR 12.5 mg oral, and showed higher stability in the room and refrigerator conditions. The prepared MNPs were stable and can deliver PRX-HCl sufficiently across skin barrier with enhanced bioavailability compared to oral administration at similar doses and thus be a better alternative to already available delivery systems for PRX-HCl.
DOI: 10.6084/m9.figshare.29899598
title: Preclinical toxicological evaluation of adjunct dementia medicinal supplement (PMCV002) in Wistar rats: from bench to clinical trial series

description: Considering unmet clinical needs in the dementia therapeutics world, PCMCV002 was developed as a cheap and easily accessible adjunct therapy option. It is a combination of amino acids, vitamins, and essential nutrients formulated in a best-fit complex medicinal food supplement as an adjunct therapy to the already established dementia therapies. The aim of this study is to evaluate the sub-acute preclinical toxicity profile of PCMCV002 in Wistar rats. PMCV002, ketamine, Photoelectric colorimeter model AE 11D (Erma Inc. Japan), Hematology analyzer (Sysmex USA), hematocrit, centrifuge, spectrophotometer, weighing balance, cotton wool, scissors, animal cages, plastic containers, plain and heparinized plastic bottles. The study involved hematology, hepatorenal and electrolytes changes and histological evaluation 28 days postdosing daily with PCMCV002 using OECD test Guideline 407 (2008). The findings following a 28-day administration of PMCV002 revealed that it is relatively nontoxic in rats, as no obvious harmful effects were noted on hematological and biochemical indices. The histo-architecture of the brain, heart, liver, and kidneys following a 28-day administration of PCMCV002 to the test rats did not show any significant pathologic changes. All these indicate a quite safe medicinal product, coupled with maximum tolerable dose as high as 5000 mg/kg.
DOI: 10.6084/m9.figshare.29899598.v1
title: Preclinical toxicological evaluation of adjunct dementia medicinal supplement (PMCV002) in Wistar rats: from bench to clinical trial series

description: Considering unmet clinical needs in the dementia therapeutics world, PCMCV002 was developed as a cheap and easily accessible adjunct therapy option. It is a combination of amino acids, vitamins, and essential nutrients formulated in a best-fit complex medicinal food supplement as an adjunct therapy to the already established dementia therapies. The aim of this study is to evaluate the sub-acute preclinical toxicity profile of PCMCV002 in Wistar rats. PMCV002, ketamine, Photoelectric colorimeter model AE 11D (Erma Inc. Japan), Hematology analyzer (Sysmex USA), hematocrit, centrifuge, spectrophotometer, weighing balance, cotton wool, scissors, animal cages, plastic containers, plain and heparinized plastic bottles. The study involved hematology, hepatorenal and electrolytes changes and histological evaluation 28 days postdosing daily with PCMCV002 using OECD test Guideline 407 (2008). The findings following a 28-day administration of PMCV002 revealed that it is relatively nontoxic in rats, as no obvious harmful effects were noted on hematological and biochemical indices. The histo-architecture of the brain, heart, liver, and kidneys following a 28-day administration of PCMCV002 to the test rats did not show any significant pathologic changes. All these indicate a quite safe medicinal product, coupled with maximum tolerable dose as high as 5000 mg/kg.
DOI: 10.17632/6k67b23m76
title: Environmental risk assessment following Brazilian mining dam collapse: A diffusion approach

description: An iron mining waste containment dam in southeastern Brazil has collapsed, causing devas- tating impacts on the Doce River Basin. This study examines the long-term effects of sludge on the mobility of potentially toxic elements (PTE) in soil. For this purpose, soil samples were subjected to diffusion tests. The planar source method predicts the behavior of species in a single direction using the diffusion coefficients in the environment. Fick’s laws provide a viable mathematical approach to analyzing diffusion data and have been modified to account for porous media. The migration of the PTE is modeled using a Gaussian profile to determine the diffusion coefficients for the species. Herein, the aim is to provide a comprehensive assess- ment of the effects of sludge on the mobility of PTEs within the soil environment. The planar source method was carried out in horizontal columns over 7 days, with the sludge serving as the central head of PTE. The PTE concentration in 1.0 mm sections and the distances were processed according to Fick’s laws using MatlabTM. The data set and algorithms are described below for both one-Gaussian and double-Gaussian models. Diffusion coefficients for Pb, Ni, Cr, and As were found to be around 10−12 m2 s−1 for porous media from Gaussian modeling, indicating the potential of sludge-soil migration. Additionally, three-dimensional surface modeling was simulated for PTE diffusion in soil using experimental diffusion coefficients covering a period of 10,000 years and a migration distance of 5 m to obtain an S-surface and characterize more than one step in the migration kinetics. The 3D-Surface algorithm is also described in the sequel. The proposed diffusion process, which unfolds in three steps over time, supports the concept of species interconversion related to the release of PTE and the heightened associated risk.
 
Keywords: mining disaster, potentially toxic element, ion mobility, Doce River basin, mining sludge
DOI: 10.17632/6k67b23m76.1
title: Environmental risk assessment following Brazilian mining dam collapse: A diffusion approach

description: An iron mining waste containment dam in southeastern Brazil has collapsed, causing devas- tating impacts on the Doce River Basin. This study examines the long-term effects of sludge on the mobility of potentially toxic elements (PTE) in soil. For this purpose, soil samples were subjected to diffusion tests. The planar source method predicts the behavior of species in a single direction using the diffusion coefficients in the environment. Fick’s laws provide a viable mathematical approach to analyzing diffusion data and have been modified to account for porous media. The migration of the PTE is modeled using a Gaussian profile to determine the diffusion coefficients for the species. Herein, the aim is to provide a comprehensive assess- ment of the effects of sludge on the mobility of PTEs within the soil environment. The planar source method was carried out in horizontal columns over 7 days, with the sludge serving as the central head of PTE. The PTE concentration in 1.0 mm sections and the distances were processed according to Fick’s laws using MatlabTM. The data set and algorithms are described below for both one-Gaussian and double-Gaussian models. Diffusion coefficients for Pb, Ni, Cr, and As were found to be around 10−12 m2 s−1 for porous media from Gaussian modeling, indicating the potential of sludge-soil migration. Additionally, three-dimensional surface modeling was simulated for PTE diffusion in soil using experimental diffusion coefficients covering a period of 10,000 years and a migration distance of 5 m to obtain an S-surface and characterize more than one step in the migration kinetics. The 3D-Surface algorithm is also described in the sequel. The proposed diffusion process, which unfolds in three steps over time, supports the concept of species interconversion related to the release of PTE and the heightened associated risk.
 
Keywords: mining disaster, potentially toxic element, ion mobility, Doce River basin, mining sludge
DOI: 10.15468/dl.vp84np
title: Occurrence Download

description: A dataset containing 243531 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Brazil",
 "TaxonKey is Mammalia"
 ]
}

 The dataset includes 243531 records from 262 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0053885-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/tsbzfk5wzt
title: Garillos-Manliguez_Hyperspectral Images of Papaya Dataset 32p

description: This dataset consists of 4,608 hyperspectral image (HSI) patches of papaya fruit, each with a spatial resolution of 32 × 32 pixels. The patches are extracted from full-frame hyperspectral images acquired using an Imec SNAPSCAN visible/near-infrared (VNIR) hyperspectral imaging system. The system captures 150 spectral channels spanning wavelengths from 470 nm to 900 nm, with an original spatial resolution of 2048 × 1088 pixels. Each patch is stored in the standard ENVI format, comprising a .hdr header file and a corresponding .img binary data file. These patches are intended for use in tasks such as fruit maturity estimation, classification, and spectral analysis.

For detailed information about the data acquisition process and the experimental setup, please refer to the following publication:
Garillos-Manliguez, C. A., & Chiang, J. Y. (2021). Multimodal Deep Learning and Visible-Light and Hyperspectral Imaging for Fruit Maturity Estimation. Sensors, 21(4), 1288. https://doi.org/10.3390/s21041288.
Please cite this article when using the dataset.
DOI: 10.17632/tsbzfk5wzt.1
title: Garillos-Manliguez_Hyperspectral Images of Papaya Dataset 32p

description: This dataset consists of 4,608 hyperspectral image (HSI) patches of papaya fruit, each with a spatial resolution of 32 × 32 pixels. The patches are extracted from full-frame hyperspectral images acquired using an Imec SNAPSCAN visible/near-infrared (VNIR) hyperspectral imaging system. The system captures 150 spectral channels spanning wavelengths from 470 nm to 900 nm, with an original spatial resolution of 2048 × 1088 pixels. Each patch is stored in the standard ENVI format, comprising a .hdr header file and a corresponding .img binary data file. These patches are intended for use in tasks such as fruit maturity estimation, classification, and spectral analysis.

For detailed information about the data acquisition process and the experimental setup, please refer to the following publication:
Garillos-Manliguez, C. A., & Chiang, J. Y. (2021). Multimodal Deep Learning and Visible-Light and Hyperspectral Imaging for Fruit Maturity Estimation. Sensors, 21(4), 1288. https://doi.org/10.3390/s21041288.
Please cite this article when using the dataset.
DOI: 10.5517/ccdc.csd.cc20mf03
title: CCDC 1865704: Experimental Crystal Structure Determination

description: Related Article: Chikako Matsuda, Ryo Igarashi, Hiroshi Katagiri, Takashi Murase|2022|Chem.-Eur.J.|28||doi:10.1002/chem.202200132
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.cc24p9qw
title: CCDC 1986688: Experimental Crystal Structure Determination

description: Related Article: Shinji Kanegawa, Shu-Qi Wu, Ziqi Zhou, Yoshihito Shiota, Takumi Nakanishi, Kazunari Yoshizawa, Osamu Sato|2024|J.Am.Chem.Soc.|||doi:10.1021/jacs.4c02882
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.cc24p9rx
title: CCDC 1986689: Experimental Crystal Structure Determination

description: Related Article: Shinji Kanegawa, Shu-Qi Wu, Ziqi Zhou, Yoshihito Shiota, Takumi Nakanishi, Kazunari Yoshizawa, Osamu Sato|2024|J.Am.Chem.Soc.|||doi:10.1021/jacs.4c02882
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.cc24p9tz
title: CCDC 1986691: Experimental Crystal Structure Determination

description: Related Article: Shinji Kanegawa, Shu-Qi Wu, Ziqi Zhou, Yoshihito Shiota, Takumi Nakanishi, Kazunari Yoshizawa, Osamu Sato|2024|J.Am.Chem.Soc.|||doi:10.1021/jacs.4c02882
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.cc24p9w1
title: CCDC 1986693: Experimental Crystal Structure Determination

description: Related Article: Shinji Kanegawa, Shu-Qi Wu, Ziqi Zhou, Yoshihito Shiota, Takumi Nakanishi, Kazunari Yoshizawa, Osamu Sato|2024|J.Am.Chem.Soc.|||doi:10.1021/jacs.4c02882
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.cc24p9x2
title: CCDC 1986694: Experimental Crystal Structure Determination

description: Related Article: Shinji Kanegawa, Shu-Qi Wu, Ziqi Zhou, Yoshihito Shiota, Takumi Nakanishi, Kazunari Yoshizawa, Osamu Sato|2024|J.Am.Chem.Soc.|||doi:10.1021/jacs.4c02882
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.cc24p9y3
title: CCDC 1986695: Experimental Crystal Structure Determination

description: Related Article: Shinji Kanegawa, Shu-Qi Wu, Ziqi Zhou, Yoshihito Shiota, Takumi Nakanishi, Kazunari Yoshizawa, Osamu Sato|2024|J.Am.Chem.Soc.|||doi:10.1021/jacs.4c02882
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.cc24y7hv
title: CCDC 1994307: Experimental Crystal Structure Determination

description: Related Article: Hosea Nelson, Juno Siu, Ambarniel Saha, Duilio Cascio, Song-Bai Wu, Chenxi Lu, Jose A. Rodriguez, Kendall N Houk, Song Lin|2020|ChemRxiv|||doi:10.26434/chemrxiv.12102054
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.cc21dsgq
title: CCDC 1889123: Experimental Crystal Structure Determination

description: Related Article: Gui-Yuan Wu, Xueliang Shi, Hoa Phan, Hang Qu, Yi-Xiong Hu, Guang-Qiang Yin, Xiao-Li Zhao, Xiaopeng Li, Lin Xu, Qilin Yu, Hai-Bo Yang|2020|Nat.Commun.|11||doi:10.1038/s41467-020-16940-z
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.cc24y7jw
title: CCDC 1994308: Experimental Crystal Structure Determination

description: Related Article: Hosea Nelson, Juno Siu, Ambarniel Saha, Duilio Cascio, Song-Bai Wu, Chenxi Lu, Jose A. Rodriguez, Kendall N Houk, Song Lin|2020|ChemRxiv|||doi:10.26434/chemrxiv.12102054
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.cc21dshr
title: CCDC 1889124: Experimental Crystal Structure Determination

description: Related Article: Gui-Yuan Wu, Xueliang Shi, Hoa Phan, Hang Qu, Yi-Xiong Hu, Guang-Qiang Yin, Xiao-Li Zhao, Xiaopeng Li, Lin Xu, Qilin Yu, Hai-Bo Yang|2020|Nat.Commun.|11||doi:10.1038/s41467-020-16940-z
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.