cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc1352dr
title: CCDC 1017773: Experimental Crystal Structure Determination

description: Related Article: Jing Wu, Ya-Yang Pu, Xiao-Wei Zhao, Li-Wen Qian, Guo-Qing Bian, Qin-Yu Zhu, Jie Dai|2015|Dalton Trans.|44|4520|doi:10.1039/C4DT03333G
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/cc1352fs
title: CCDC 1017774: Experimental Crystal Structure Determination

description: Related Article: Jing Wu, Ya-Yang Pu, Xiao-Wei Zhao, Li-Wen Qian, Guo-Qing Bian, Qin-Yu Zhu, Jie Dai|2015|Dalton Trans.|44|4520|doi:10.1039/C4DT03333G
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/cc1352gt
title: CCDC 1017775: Experimental Crystal Structure Determination

description: Related Article: Jing Wu, Ya-Yang Pu, Xiao-Wei Zhao, Li-Wen Qian, Guo-Qing Bian, Qin-Yu Zhu, Jie Dai|2015|Dalton Trans.|44|4520|doi:10.1039/C4DT03333G
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/cc141dvf
title: CCDC 1044044: Experimental Crystal Structure Determination

description: Related Article: Robert Brkljaca, Jonathan M. White, Sylvia Urban|2015|J.Nat.Prod.|78|1600|doi:10.1021/acs.jnatprod.5b00161
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/cc141dwg
title: CCDC 1044045: Experimental Crystal Structure Determination

description: Related Article: Robert Brkljaca, Jonathan M. White, Sylvia Urban|2015|J.Nat.Prod.|78|1600|doi:10.1021/acs.jnatprod.5b00161
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/cc141h2r
title: CCDC 1044113: Experimental Crystal Structure Determination

description: Related Article: Vinod Kumar Gupta, Ram Adhar Singh|2015|RSC Advances|5|38591|doi:10.1039/C5RA04907E
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/cc141h3s
title: CCDC 1044114: Experimental Crystal Structure Determination

description: Related Article: Vinod Kumar Gupta, Ram Adhar Singh|2015|RSC Advances|5|38591|doi:10.1039/C5RA04907E
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.cc141dxh
title: CCDC 1044046: Experimental Crystal Structure Determination

description: Related Article: Ying Fu, Jing-Xin Kang, Yun-Kai Wang, Jing Liu, Li-Xia Zhao, Shuang Gao, Fei Ye|2016|Heterocycles|92|740|doi:10.3987/COM-16-13412
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/cc141hpc
title: CCDC 1044132: Experimental Crystal Structure Determination

description: Related Article: Wen-Zhen Zhang, Tian Xia, Xu-Tong Yang, Xiao-Bing Lu|2015|Chem.Commun.|51|6175|doi:10.1039/C5CC01530H
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/cc141dzk
title: CCDC 1044048: Experimental Crystal Structure Determination

description: Related Article: Ranvijay Pratap Singh, Sonia Sharma, Rajni Kant, Amandeep, Praveer Singh, Arun Sethi|2016|J.Mol.Struct.|1105|423|doi:10.1016/j.molstruc.2015.10.015
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/cc141f2p
title: CCDC 1044051: Experimental Crystal Structure Determination

description: Related Article: Xianghua Zeng, Shaoqing Chang, Ke Deng, Junyong Zhang, Hongbin Sun, Qingdao Zeng, Jingli Xie|2015|Cryst.Growth Des.|15|3096|doi:10.1021/acs.cgd.5b00143
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/cc141f3q
title: CCDC 1044052: Experimental Crystal Structure Determination

description: Related Article: Xianghua Zeng, Shaoqing Chang, Ke Deng, Junyong Zhang, Hongbin Sun, Qingdao Zeng, Jingli Xie|2015|Cryst.Growth Des.|15|3096|doi:10.1021/acs.cgd.5b00143
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.cc141hqd
title: CCDC 1044133: Experimental Crystal Structure Determination

description: Related Article: Yu-Bing Sun, Qing Xie, Wei Li, Yi Ding, Yu-Ting Ye|2016|Synth.React.Inorg.,Met.-Org.,Nano-Met.Chem.|46|1613|doi:10.1080/15533174.2015.1137039
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/cc141hsg
title: CCDC 1044135: Experimental Crystal Structure Determination

description: Related Article: Poopathy Kathirgamanathan, Sivagnanasundram Surendrakumar, Seenivasagam Ravichandran, Muttulingam Kumaraverl, Juan Antipan Lara, Subramaniam Ganeshamurugan, Lisa M. Bushby, Jeremiah P. Tidey, Alexander J. Blake|2015|J.Mater.Chem.C|3|6652|doi:10.1039/C5TC00932D
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/cc141hth
title: CCDC 1044136: Experimental Crystal Structure Determination

description: Related Article: Poopathy Kathirgamanathan, Sivagnanasundram Surendrakumar, Seenivasagam Ravichandran, Muttulingam Kumaraverl, Juan Antipan Lara, Subramaniam Ganeshamurugan, Lisa M. Bushby, Jeremiah P. Tidey, Alexander J. Blake|2015|J.Mater.Chem.C|3|6652|doi:10.1039/C5TC00932D
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/cc141hvj
title: CCDC 1044137: Experimental Crystal Structure Determination

description: Related Article: Poopathy Kathirgamanathan, Sivagnanasundram Surendrakumar, Seenivasagam Ravichandran, Muttulingam Kumaraverl, Juan Antipan Lara, Subramaniam Ganeshamurugan, Lisa M. Bushby, Jeremiah P. Tidey, Alexander J. Blake|2015|J.Mater.Chem.C|3|6652|doi:10.1039/C5TC00932D
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.cc141hxl
title: CCDC 1044139: Experimental Crystal Structure Determination

description: Related Article: Bahram Ghanbari, Barzin Safarkoopayeh (Agheli), Reza Kia and Paul R. Raithby|2016|Aust.J.Chem.|69|273|doi:10.1071/CH15204
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.cc141hym
title: CCDC 1044140: Experimental Crystal Structure Determination

description: Related Article: Bahram Ghanbari, Barzin Safarkoopayeh (Agheli), Reza Kia and Paul R. Raithby|2016|Aust.J.Chem.|69|273|doi:10.1071/CH15204
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.cc141hzn
title: CCDC 1044141: Experimental Crystal Structure Determination

description: Related Article: Bahram Ghanbari, Barzin Safarkoopayeh (Agheli), Reza Kia and Paul R. Raithby|2016|Aust.J.Chem.|69|273|doi:10.1071/CH15204
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/cc141f7v
title: CCDC 1044056: Experimental Crystal Structure Determination

description: Related Article: Hui Li, Yi Li, Xiao-Bing Wang, Tao Pang, Lu-Yong Zhang, Jun Luo, Ling-Yi Kong|2015|RSC Advances|5|40465|doi:10.1039/C5RA05006E
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.cc141j2s
title: CCDC 1044144: Experimental Crystal Structure Determination

description: Related Article: Michael A. DeBord, Marie R. Southerland, Patrick O. Wagers, Kristin M. Tiemann, Nikki K. Robishaw, Kyle T. Whiddon, Michael C. Konopka, Claire A. Tessier, Leah P. Shriver, Sailaja Paruchuri, David A. Hunstad, Matthew J. Panzner, Wiley J. Youngs|2017|Bioorg.Med.Chem.Lett.|27|764|doi:10.1016/j.bmcl.2017.01.035
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.cc141j3t
title: CCDC 1044145: Experimental Crystal Structure Determination

description: Related Article: Michael A. DeBord, Marie R. Southerland, Patrick O. Wagers, Kristin M. Tiemann, Nikki K. Robishaw, Kyle T. Whiddon, Michael C. Konopka, Claire A. Tessier, Leah P. Shriver, Sailaja Paruchuri, David A. Hunstad, Matthew J. Panzner, Wiley J. Youngs|2017|Bioorg.Med.Chem.Lett.|27|764|doi:10.1016/j.bmcl.2017.01.035
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.cc141j4v
title: CCDC 1044146: Experimental Crystal Structure Determination

description: Related Article: Michael A. DeBord, Marie R. Southerland, Patrick O. Wagers, Kristin M. Tiemann, Nikki K. Robishaw, Kyle T. Whiddon, Michael C. Konopka, Claire A. Tessier, Leah P. Shriver, Sailaja Paruchuri, David A. Hunstad, Matthew J. Panzner, Wiley J. Youngs|2017|Bioorg.Med.Chem.Lett.|27|764|doi:10.1016/j.bmcl.2017.01.035
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.cc141j5w
title: CCDC 1044147: Experimental Crystal Structure Determination

description: Related Article: Michael A. DeBord, Marie R. Southerland, Patrick O. Wagers, Kristin M. Tiemann, Nikki K. Robishaw, Kyle T. Whiddon, Michael C. Konopka, Claire A. Tessier, Leah P. Shriver, Sailaja Paruchuri, David A. Hunstad, Matthew J. Panzner, Wiley J. Youngs|2017|Bioorg.Med.Chem.Lett.|27|764|doi:10.1016/j.bmcl.2017.01.035
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/cc141j7y
title: CCDC 1044149: Experimental Crystal Structure Determination

description: Related Article: Qiuling Tang, Jian Zhou, Shumei Cao, Xing Liu, Rongqing Zhao, Xiaofeng Tan|2015|J.Cluster Sci.|26|1735|doi:10.1007/s10876-015-0871-0
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.cc141j6x
title: CCDC 1044148: Experimental Crystal Structure Determination

description: Related Article: Michael A. DeBord, Marie R. Southerland, Patrick O. Wagers, Kristin M. Tiemann, Nikki K. Robishaw, Kyle T. Whiddon, Michael C. Konopka, Claire A. Tessier, Leah P. Shriver, Sailaja Paruchuri, David A. Hunstad, Matthew J. Panzner, Wiley J. Youngs|2017|Bioorg.Med.Chem.Lett.|27|764|doi:10.1016/j.bmcl.2017.01.035
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/cc141f8w
title: CCDC 1044057: Experimental Crystal Structure Determination

description: Related Article: C. Arderne, D.K. Olivier, D.T. Ndinteh|2015|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|71|146|doi:10.1107/S2053229615001047
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/cc141f9x
title: CCDC 1044058: Experimental Crystal Structure Determination

description: Related Article: C. Arderne, D.K. Olivier, D.T. Ndinteh|2015|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|71|146|doi:10.1107/S2053229615001047
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.30393478
title: Subject-Specific Breast Biomechanics Dataset: Prone MRI, Standing 3D Scans, and Finite-Element Parameter Identification (Natural vs. Post-Augmentation)

description: <b>Overview</b><br>This repository accompanies the manuscript Evaluation of Natural Breasts and Post-Augmentation Breasts with Silicone Implants Using Subject-Specific Finite Element Modeling. It provides de-identified tabular data and a complete set of visualization figures that document the optimal parameter fits for 12 subjects (6 natural; 6 post-augmentation).<b>Cohorts</b><br>Group 1 (1-L to 6-L): healthy volunteers with natural breasts (n=6). Group 2 (7-L to 12-L): participants after silicone-implant augmentation (n = 6).<b>Acquisition & Modeling summary</b><br>Prone MRI provides anatomy for segmentation and meshing; standing 3D surface scans capture posture-dependent morphology under gravity; the left breast of each subject. Finite-element simulations use a first-order Ogden model. During optimization, cohort-level density (ρ) and shear modulus (μ) are fixed; the subject-specific strain-hardening coefficient (α) is identified by minimizing the point-to-surface mismatch quantified by the Hausdorff distance (HDF, mm).<b>Files included</b><br><code>dataset.xlsx</code> — subject-level summary table and analysis outputs. Columns include subject index, group, material settings (ρ, μ), α, and the corresponding HDF.<code>figures</code><code>.jpg</code> — <b>1</b>2 point-cloud deviation maps (JPG, high resolution), one per subject, e.g., 1-L.jpg … 2-L.jpg. Each figure shows: scatter of surface nodes in a 2D projection (X–Y, mm); colorbar = pointwise deviation (mm) between the FE-predicted standing shape and the 3D surface scan; header text listing the optimized HDF, ρ, μ, and α for that subject.<br><b>Units</b><br>ρ: T/mm³; μ: MPa; α: dimensionless; HDF: mm.<b>Quality/validation</b><br>Across all subjects, simulations reproduced standing morphology with millimeter-scale error (typical HDF ≈ 1–3 mm). Augmented breasts generally required higher effective μ and showed altered, more variable α compared with natural breasts.<b>Ethics & de-identification</b><br>All data are fully de-identified. Imaging/scan outputs contain no personal identifiers. Study procedures were approved by the local ethics committee/IRB with written informed consent.
DOI: 10.5517/ccdc.csd.cc141j90
title: CCDC 1044151: Experimental Crystal Structure Determination

description: Related Article: K.H.Li, W.Li, Y.Ding, Y.T.Ye, Z.L.You|2015|Koord.Khim.|41|549|doi:10.1134/S1070328415080023
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.30393478.v1
title: Subject-Specific Breast Biomechanics Dataset: Prone MRI, Standing 3D Scans, and Finite-Element Parameter Identification (Natural vs. Post-Augmentation)

description: <b>Overview</b><br>This repository accompanies the manuscript Evaluation of Natural Breasts and Post-Augmentation Breasts with Silicone Implants Using Subject-Specific Finite Element Modeling. It provides de-identified tabular data and a complete set of visualization figures that document the optimal parameter fits for 12 subjects (6 natural; 6 post-augmentation).<b>Cohorts</b><br>Group 1 (1-L to 6-L): healthy volunteers with natural breasts (n=6). Group 2 (7-L to 12-L): participants after silicone-implant augmentation (n = 6).<b>Acquisition & Modeling summary</b><br>Prone MRI provides anatomy for segmentation and meshing; standing 3D surface scans capture posture-dependent morphology under gravity; the left breast of each subject. Finite-element simulations use a first-order Ogden model. During optimization, cohort-level density (ρ) and shear modulus (μ) are fixed; the subject-specific strain-hardening coefficient (α) is identified by minimizing the point-to-surface mismatch quantified by the Hausdorff distance (HDF, mm).<b>Files included</b><br><code>dataset.xlsx</code> — subject-level summary table and analysis outputs. Columns include subject index, group, material settings (ρ, μ), α, and the corresponding HDF.<code>figures</code><code>.jpg</code> — <b>1</b>2 point-cloud deviation maps (JPG, high resolution), one per subject, e.g., 1-L.jpg … 2-L.jpg. Each figure shows: scatter of surface nodes in a 2D projection (X–Y, mm); colorbar = pointwise deviation (mm) between the FE-predicted standing shape and the 3D surface scan; header text listing the optimized HDF, ρ, μ, and α for that subject.<br><b>Units</b><br>ρ: T/mm³; μ: MPa; α: dimensionless; HDF: mm.<b>Quality/validation</b><br>Across all subjects, simulations reproduced standing morphology with millimeter-scale error (typical HDF ≈ 1–3 mm). Augmented breasts generally required higher effective μ and showed altered, more variable α compared with natural breasts.<b>Ethics & de-identification</b><br>All data are fully de-identified. Imaging/scan outputs contain no personal identifiers. Study procedures were approved by the local ethics committee/IRB with written informed consent.