cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fc4ts
title: CCDC 2245045: Experimental Crystal Structure Determination

description: Related Article: Serhii Tretiakov, Martin Lutz, Charles James Titus, Frank de Groot, Joscha Nehrkorn, Thomas Lohmiller, Karsten Holldack, Alexander Schnegg, Maxime François Xavier Tarrago, Peng Zhang, Shengfa Ye, Dmitry Aleshin, Alexander Pavlov, Valentin Novikov, Marc-Etienne Moret|2023|Inorg.Chem.|62|10613|doi:10.1021/acs.inorgchem.3c00871
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.cc2glzqs
title: CCDC 2282366: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Dirk Bockfeld, Tobias M. Schnabel, Matthias Tamm|2023|CSD Communication|||
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.cc2glzrt
title: CCDC 2282367: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Dirk Bockfeld, Tobias M. Schnabel, Matthias Tamm|2023|CSD Communication|||
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.cc2gm037
title: CCDC 2282378: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Henrike Ehrhorn, Matthias Tamm|2023|CSD Communication|||
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.cc2gm048
title: CCDC 2282379: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Henrike Ehrhorn, Matthias Tamm|2023|CSD Communication|||
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.cc2gm059
title: CCDC 2282380: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Henrike Ehrhorn, Matthias Tamm|2023|CSD Communication|||
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.cc2gm6jv
title: CCDC 2282577: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Constantin G. Daniliuc, Alex R. Petrov, Matthias Tamm|2023|CSD Communication|||
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.cc2gm6kw
title: CCDC 2282578: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Constantin G. Daniliuc, Alex R. Petrov, Matthias Tamm|2023|CSD Communication|||
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.cc2gm0hm
title: CCDC 2282390: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Alex R. Petrov, Matthias Tamm|2023|CSD Communication|||
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.cc2gm0jn
title: CCDC 2282391: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Alex R. Petrov, Matthias Tamm|2023|CSD Communication|||
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.cc2gm0kp
title: CCDC 2282392: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Alex R. Petrov, Matthias Tamm|2023|CSD Communication|||
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.cc2gm0sx
title: CCDC 2282399: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Sergej Lysenko, Matthias Tamm|2023|CSD Communication|||
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.cc2gm0ty
title: CCDC 2282400: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Sergej Lysenko, Matthias Tamm|2023|CSD Communication|||
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.cc2gm0vz
title: CCDC 2282401: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Sergej Lysenko, Matthias Tamm|2023|CSD Communication|||
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.cc2gm19g
title: CCDC 2282415: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Jason W. Runyan, Matthias Tamm|2023|CSD Communication|||
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.cc2gm1bh
title: CCDC 2282416: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Jason W. Runyan, Matthias Tamm|2023|CSD Communication|||
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.cc2gm1cj
title: CCDC 2282417: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Jason W. Runyan, Matthias Tamm|2023|CSD Communication|||
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.cc2gm1dk
title: CCDC 2282418: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Jason W. Runyan, Matthias Tamm|2023|CSD Communication|||
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.cc2gm6lx
title: CCDC 2282579: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Jenni Frosch, Matthias Tamm|2023|CSD Communication|||
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.cc2gm6my
title: CCDC 2282580: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Jenni Frosch, Matthias Tamm|2023|CSD Communication|||
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.cc2gm6nz
title: CCDC 2282581: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Jenni Frosch, Matthias Tamm|2023|CSD Communication|||
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.cc2gm6s3
title: CCDC 2282585: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Eugene L. Kolychev, Matthias Tamm|2023|CSD Communication|||
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.cc2gm6t4
title: CCDC 2282586: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Eugene L. Kolychev, Matthias Tamm|2023|CSD Communication|||
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.cc2gm6p0
title: CCDC 2282582: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Adinarayana Doddi, Matthias Tamm|2023|CSD Communication|||
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.cc2gm6q1
title: CCDC 2282583: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Adinarayana Doddi, Matthias Tamm|2023|CSD Communication|||
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.cc2gmh3q
title: CCDC 2282843: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, J.D. Kennedy, K. Nestor, M. Thornton-Pett, J. Holub|2023|CSD Communication|||
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.cc2gmk3s
title: CCDC 2282905: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Alexandre Nasr, Matthias Tamm|2023|CSD Communication|||
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.23905128
title: Supplementary Material for: Geometric versus hemodynamic indexes for rupture-destined aneurysms: a retrospective cohort and a repeated-measures study

description: Introduction: A proper stratification of intracranial aneurysms is critical in identifying rupture-destined aneurysms and unruptured intracranial aneurysms. We aimed to determine the utility of geometric and hemodynamic indexes in differentiating two types of aneurysms, and to examine the characteristics of natural evolutionary changes of unruptured aneurysms. Methods: Rupture-destined aneurysm refers to an aneurysm that undergoes subsequent aneurysmal subarachnoid hemorrhage (SAH). On the other hand, an unruptured intracranial aneurysm is characterized by an aneurysm that does not experience rupture during serial time-of-flight magnetic resonance angiography (TOF-MRA). In addition to geometric indexes, signal intensity gradient (SIG), an in-vivo approximated wall shear stress from TOF-MRA, was measured in aneurysms. The difference between the maximum and minimum values of SIG in an aneurysm compared to parent arterial values was designated as the delta-SIG ratio. Results: This study analyzed 20 rupture-destined aneurysms in 20 patients and 45 unruptured intracranial aneurysms in 41 patients with follow-up TOF-MRA. While geometric indexes did not show differences between the two groups, the delta-SIG ratio was higher in the rupture-destined aneurysms (1.5±0.6 vs. 1.1±0.3, P=0.032). The delta-SIG ratio showed a higher area under the receiver operating characteristics curve for SAH than the size ratio (0.72 [95% CI, 0.58–0.87] vs. 0.56 [95% CI, 0.41–0.72], P=0.033). The longitudinal re-examination of TOF-MRA in the unruptured intracranial aneurysms revealed evidence of aneurysmal growth, while concurrently exhibiting hemodynamic stability. Discussion/Conclusion: The delta-SIG ratio showed higher discriminatory results between the two groups compared to geometric indexes. Aneurysmal rupture risk should be assessed by considering both geometric and hemodynamic information. This study was registered on ClinicalTrials.gov (NCT05450939).
DOI: 10.6084/m9.figshare.23905131
title: Supplementary Material for: Geometric versus hemodynamic indexes for rupture-destined aneurysms: a retrospective cohort and a repeated-measures study

description: Introduction: A proper stratification of intracranial aneurysms is critical in identifying rupture-destined aneurysms and unruptured intracranial aneurysms. We aimed to determine the utility of geometric and hemodynamic indexes in differentiating two types of aneurysms, and to examine the characteristics of natural evolutionary changes of unruptured aneurysms. Methods: Rupture-destined aneurysm refers to an aneurysm that undergoes subsequent aneurysmal subarachnoid hemorrhage (SAH). On the other hand, an unruptured intracranial aneurysm is characterized by an aneurysm that does not experience rupture during serial time-of-flight magnetic resonance angiography (TOF-MRA). In addition to geometric indexes, signal intensity gradient (SIG), an in-vivo approximated wall shear stress from TOF-MRA, was measured in aneurysms. The difference between the maximum and minimum values of SIG in an aneurysm compared to parent arterial values was designated as the delta-SIG ratio. Results: This study analyzed 20 rupture-destined aneurysms in 20 patients and 45 unruptured intracranial aneurysms in 41 patients with follow-up TOF-MRA. While geometric indexes did not show differences between the two groups, the delta-SIG ratio was higher in the rupture-destined aneurysms (1.5±0.6 vs. 1.1±0.3, P=0.032). The delta-SIG ratio showed a higher area under the receiver operating characteristics curve for SAH than the size ratio (0.72 [95% CI, 0.58–0.87] vs. 0.56 [95% CI, 0.41–0.72], P=0.033). The longitudinal re-examination of TOF-MRA in the unruptured intracranial aneurysms revealed evidence of aneurysmal growth, while concurrently exhibiting hemodynamic stability. Discussion/Conclusion: The delta-SIG ratio showed higher discriminatory results between the two groups compared to geometric indexes. Aneurysmal rupture risk should be assessed by considering both geometric and hemodynamic information. This study was registered on ClinicalTrials.gov (NCT05450939).
DOI: 10.6084/m9.figshare.23905131.v1
title: Supplementary Material for: Geometric versus hemodynamic indexes for rupture-destined aneurysms: a retrospective cohort and a repeated-measures study

description: Introduction: A proper stratification of intracranial aneurysms is critical in identifying rupture-destined aneurysms and unruptured intracranial aneurysms. We aimed to determine the utility of geometric and hemodynamic indexes in differentiating two types of aneurysms, and to examine the characteristics of natural evolutionary changes of unruptured aneurysms. Methods: Rupture-destined aneurysm refers to an aneurysm that undergoes subsequent aneurysmal subarachnoid hemorrhage (SAH). On the other hand, an unruptured intracranial aneurysm is characterized by an aneurysm that does not experience rupture during serial time-of-flight magnetic resonance angiography (TOF-MRA). In addition to geometric indexes, signal intensity gradient (SIG), an in-vivo approximated wall shear stress from TOF-MRA, was measured in aneurysms. The difference between the maximum and minimum values of SIG in an aneurysm compared to parent arterial values was designated as the delta-SIG ratio. Results: This study analyzed 20 rupture-destined aneurysms in 20 patients and 45 unruptured intracranial aneurysms in 41 patients with follow-up TOF-MRA. While geometric indexes did not show differences between the two groups, the delta-SIG ratio was higher in the rupture-destined aneurysms (1.5±0.6 vs. 1.1±0.3, P=0.032). The delta-SIG ratio showed a higher area under the receiver operating characteristics curve for SAH than the size ratio (0.72 [95% CI, 0.58–0.87] vs. 0.56 [95% CI, 0.41–0.72], P=0.033). The longitudinal re-examination of TOF-MRA in the unruptured intracranial aneurysms revealed evidence of aneurysmal growth, while concurrently exhibiting hemodynamic stability. Discussion/Conclusion: The delta-SIG ratio showed higher discriminatory results between the two groups compared to geometric indexes. Aneurysmal rupture risk should be assessed by considering both geometric and hemodynamic information. This study was registered on ClinicalTrials.gov (NCT05450939).