cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5285/b56d30e8-edaa-4225-96d7-fcc689e930c7
title: Precipitation and temperature climate change indices calculated from WRF data and statistically downscaled CMIP5 models, Cordillera Blanca and Vilcanota-Urubamba regions, Peru, from 1980 to 2100

description: Based on the bias-corrected WRF data and the statistically downscaled CMIP5 data (see related datasets), six climate change detection indices are calculated, based on the Expert Team on Climate Change Detection and Indices (ETCCDI). Each index is calculated for the control period (1980-2018) from the bias-corrected WRF data, and the future (2019-2100) for each of the 30 CMIP5 models. Six of the ETCCDI climate indices are calculated here (taken from Zhang (2011)): the simple precipitation intensity index describing the total annual precipitation on wet days; the annual total precipitation falling on days where precipitation is above the 95th percentile of the 1980-2018 period; the number of dry days (precipitation under 1 mm) in a year (a variation on "continuous dry days" given in Zhang (2011); the annual average monthly maximum temperature; the warm spell duration index describing the annual count of days with at least 6 consecutive days above the 90th percentile of daily maximum temperature from 1980-2018; the number of frost days (minimum daily temperature below 0 deg C). These data were corrected as part of the PEGASUS (Producing EnerGy and preventing hAzards from SUrface water Storage in Peru) and Peru GROWS (Peruvian Glacier Retreat and its Impact on Water Security) projects. The datasets were created to assess future climate in the Peruvian Andes. The data were created on the JASMIN supercomputer. The creation of this data was conducted under the Peru GROWS and PEGASUS projects, which were both funded by NERC (grants NE/S013296/1 and NE/S013318/1, respectively) and CONCYTEC through the Newton-Paulet Fund. The Peruvian part of the Peru GROWS project was conducted within the framework of the call E031-2018-01-NERC "Glacier Research Circles", through its executing unit FONDECYT (Contract No. 08-2019-FONDECYT).
description: The analysis of the ETCCDI variables was carried out based on the xclim package for python Bourgault et al., (2021). Details can be found in Potter et al., (2023).
description: See the reference materials for information on the CMIP5 models.
description: There are no known quality issues with the data.
DOI: 10.5517/ccdc.csd.cc2c5w5m
title: CCDC 2180390: Experimental Crystal Structure Determination

description: Related Article: Yunliang Yu, Nazarii Sabat, Meriem Daghmoum, Zhenhao Zhang, Pascal Retailleau, Gilles Frison, Angela Marinetti, Xavier Guinchard|2023|Org.Chem.Front.|10|2936|doi:10.1039/D3QO00415E
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.cc2c7g47
title: CCDC 2181908: Experimental Crystal Structure Determination

description: Related Article: Li Chen, Jin-Mei Qi, Shu Yang, Si-Nuo Sun, Sheng-Jiao Yan|2023|Org.Chem.Front.|10|2994|doi:10.1039/D3QO00524K
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.cc2c7mcm
title: CCDC 2182070: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mdn
title: CCDC 2182071: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mfp
title: CCDC 2182072: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mgq
title: CCDC 2182073: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mhr
title: CCDC 2182074: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mjs
title: CCDC 2182075: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mkt
title: CCDC 2182076: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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: 10.6084/m9.figshare.21539169
title: Assessing plant uptake of organic contaminants by food crops tomato, wheat, and corn through sap concentration factor

description: This study investigated uptake of two organic compounds including hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and exogenous caffeine by tomato (<i>Solanum lycopersicum</i> L.), corn (<i>Zea mays</i> L.), and wheat (<i>Triticum aestivum</i> L.). The plants were grown in a growth chamber under recommended conditions and then were exposed to these compounds for 19 days. The uptake of the compounds was measured by sap concentration factor. The plant samples (stem transpiration stream) and solution in the exposure media were taken and analyzed by high performance liquid chromatography-tandem mass spectrometry. The plant stem samples were analyzed after a freeze-thaw centrifugation process. The average sap concentration factor for the RDX by tomato, wheat, and corn was 0.71, 0.67, and 0.65. The average sap concentration factor for the exogenous caffeine by tomato, wheat, and corn was 0.72, 0.50, and 0.34. These relatively high sap concentration factor values were expected as available predictive models offer high sap concentration factor values for moderately hydrophobic and hydrophilic compounds. The generated sap concentration factor values for the RDX and exogenous caffeine are important for improving the accuracy of previously developed machine learning models predicting the uptake and translocation of emerging contaminants. The uptake of two organic compounds (RDX and exogenous caffeine) was examined in three crop plants (corn, wheat, and tomato). There have not been any uptake studies on exogenous caffeine and also we do not have good data for the uptake of RDX by these three crop plants. The estimated sap concentration factor from these experiments fills the gap in the data for developing predictive models for uptake of emerging contaminants. A novel rapid freeze–thaw/centrifugation extraction method followed by high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) was used to analyze the samples.
DOI: 10.5517/ccdc.csd.cc2c7mlv
title: CCDC 2182077: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mmw
title: CCDC 2182078: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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: 10.6084/m9.figshare.21539169.v1
title: Assessing plant uptake of organic contaminants by food crops tomato, wheat, and corn through sap concentration factor

description: This study investigated uptake of two organic compounds including hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and exogenous caffeine by tomato (<i>Solanum lycopersicum</i> L.), corn (<i>Zea mays</i> L.), and wheat (<i>Triticum aestivum</i> L.). The plants were grown in a growth chamber under recommended conditions and then were exposed to these compounds for 19 days. The uptake of the compounds was measured by sap concentration factor. The plant samples (stem transpiration stream) and solution in the exposure media were taken and analyzed by high performance liquid chromatography-tandem mass spectrometry. The plant stem samples were analyzed after a freeze-thaw centrifugation process. The average sap concentration factor for the RDX by tomato, wheat, and corn was 0.71, 0.67, and 0.65. The average sap concentration factor for the exogenous caffeine by tomato, wheat, and corn was 0.72, 0.50, and 0.34. These relatively high sap concentration factor values were expected as available predictive models offer high sap concentration factor values for moderately hydrophobic and hydrophilic compounds. The generated sap concentration factor values for the RDX and exogenous caffeine are important for improving the accuracy of previously developed machine learning models predicting the uptake and translocation of emerging contaminants. The uptake of two organic compounds (RDX and exogenous caffeine) was examined in three crop plants (corn, wheat, and tomato). There have not been any uptake studies on exogenous caffeine and also we do not have good data for the uptake of RDX by these three crop plants. The estimated sap concentration factor from these experiments fills the gap in the data for developing predictive models for uptake of emerging contaminants. A novel rapid freeze–thaw/centrifugation extraction method followed by high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) was used to analyze the samples.
DOI: 10.6084/m9.figshare.21624789.v1
title: Phytotoxicity level and accumulation ability of pot marigold (<i>Calendula officinalis</i> L.) to zinc

description: The study aims to reveal the effects of different Zn levels on pot marigold. We determined some germination and young seedling properties in the first experiment, and morphological, stomatal, and physiological parameters besides uptake profiles of both Zn and other plant nutrients in the second one. We supplied the water requirement of the seeds with Zn solutions (0, 250, 500, 750, and 1,000 mg l<sup>−1</sup>) in the first experiment, and We added the same zinc doses as mg kg<sup>−1</sup> to the soil of the pots where the plants would grow in the second one. As a result, the inhibitory effects were more prominent in the early seedling stage (especially at 1,000 mg l<sup>−1</sup> Zn) than in the germination one. We determined plant growth retardation, decreases in leaf water contents, and increases in membrane damages with higher Zn (≥500 mg kg<sup>−1</sup>) in the experiment conducted by potting soil. We detected decreases in chlorophyll parameters parallel with the increases in Zn. The alterations in plant zinc contents revealed the accumulation capacity of pot marigold in potting conditions. That TF value &gt;1 in Zn treatments up to 500 mg kg<sup>−1</sup> points to the efficiency limit of pot marigold as a Zn-accumulator plant. To reveal the zinc tolerance of the plant through experiments carried out in two different plant growth stages, germination-young seedling and adult plant is an innovative approach. Besides, it is the first study to evaluate detailed morphological, physiological, stomatal and nutrient contents of pot marigold under heavy metal stress conditions. Thus, this study displayed both tolerance level and accumulation potential in potting conditions of pot-marigold to zinc.
DOI: 10.5517/ccdc.csd.cc2c7mpy
title: CCDC 2182080: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mqz
title: CCDC 2182081: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mr0
title: CCDC 2182082: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7ms1
title: CCDC 2182083: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mt2
title: CCDC 2182084: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7mv3
title: CCDC 2182085: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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: 10.1285/i9788883051951p95
title: Varietà riemanniane
DOI: 10.5517/ccdc.csd.cc2c7mw4
title: CCDC 2182086: Experimental Crystal Structure Determination

description: Related Article: Benjamin Théron, Valentin Vaillant-Coindard, Cédric Balan, Yoann Rousselin, Jérôme Bayardon, Raluca Malacea-Kabbara, Pierre Le Gendre|2023|Dalton Trans.|52|7854|doi:10.1039/D3DT01216F
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.cc2c7qgt
title: CCDC 2182166: Experimental Crystal Structure Determination

description: Related Article: Li Chen, Jin-Mei Qi, Shu Yang, Si-Nuo Sun, Sheng-Jiao Yan|2023|Org.Chem.Front.|10|2994|doi:10.1039/D3QO00524K
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.cc2c97rp
title: CCDC 2183632: Experimental Crystal Structure Determination

description: Related Article: Tianlong Zhou, Jiaxu Gong, Mingzhen Xie, Bozhou Wang, Yifan Jiang, Jiaheng Wang, Jie Zhou, Linzhi Zhong, Yatang Dai|2023|FirePhysChem|3|121|doi:10.1016/j.fpc.2022.12.002
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.cc2ck1ss
title: CCDC 2191135: Experimental Crystal Structure Determination

description: Related Article: Vera V. Khrizanforova, Robert R. Fayzullin, Artem S. Bogomyakov, Vladimir I. Morozov, Ruslan G. Batulin, Tatiana P. Gerasimova, Daut R. Islamov, Yulia H. Budnikova|2023|Dalton Trans.|52|7876|doi:10.1039/D3DT00347G
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.cc2ck1tt
title: CCDC 2191136: Experimental Crystal Structure Determination

description: Related Article: Vera V. Khrizanforova, Robert R. Fayzullin, Artem S. Bogomyakov, Vladimir I. Morozov, Ruslan G. Batulin, Tatiana P. Gerasimova, Daut R. Islamov, Yulia H. Budnikova|2023|Dalton Trans.|52|7876|doi:10.1039/D3DT00347G
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.