cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc1j15zq
title: CCDC 1401323: Experimental Crystal Structure Determination

description: Related Article: Ying Han, Wen-Jie Qi, Ying-Jian Shen, Chao-Guo Yan|2015|Tetrahedron Lett.|56|5196|doi:10.1016/j.tetlet.2015.07.071
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/cc1j1f33
title: CCDC 1401544: Experimental Crystal Structure Determination

description: Related Article: Ting Wang, Ling Qin, Chuanlei Zhang, Hegen Zheng|2015|RSC Advances|5|64514|doi:10.1039/C5RA10805E
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/cc1j1f44
title: CCDC 1401545: Experimental Crystal Structure Determination

description: Related Article: Ting Wang, Ling Qin, Chuanlei Zhang, Hegen Zheng|2015|RSC Advances|5|64514|doi:10.1039/C5RA10805E
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: 10.17632/82nyt2mxft
title: Mechanism-Driven Astragalus Pathways Signatures for Risk Stratification in ICU Sepsis: A Translational Bioinformatics Approach

description: Background: Astragalus, a traditional Chinese medicine, exerts pleiotropic pharmacology through multi-component, multi-target mechanisms. We curated a mechanism-anchored prior—“Astragalus → mechanistic nodes → representative genes”—from the literature and evaluated its pre-specified primary association in an ICU sepsis cohort.
Methods: We systematically searched PubMed, Embase, and Web of Science, identifying 7,774 records; 2,222 studies met inclusion after tiered screening. Evidence was stratified by experimental validation and effect direction to build two gene-set resources: an integrated pathway signature and node-specific subsets. In GSE65682 (ICU whole-blood transcriptomes; n=479), we computed single-sample scores using mean-Z transformation and singscore. Age-adjusted logistic regression estimated associations with 28-day mortality, controlling multiplicity with Benjamini–Hochberg false discovery rate (FDR). Restricted cubic splines (RCS) probed nonlinearity for the A-NLRP3 node.
Results: The integrated signature showed a directionally consistent protective trend across scoring methods; mean-Z estimates often reached or approached multiplicity-adjusted significance, while singscore yielded concordant but attenuated effects. At the node level, NLRP3 retained a robust protective association after FDR correction (OR=0.70, 95% CI 0.57–0.86; P=6.02×10⁻⁴; q=0.0037) and displayed a linear dose–response (Poverall=0.017, Pnonlinear=0.986). NF-κB and TLR4 exhibited nominally protective associations that did not survive FDR correction; several nodes showed method-dependent signals. 
Conclusions: Mechanism-driven Astragalus pathway signatures associate directionally with protection in ICU sepsis, with NLRP3 inflammasome regulation emerging as a stable mechanistic anchor. This reproducible framework translates a multi-target botanical into clinically interpretable biomarkers and supports precision applications in critical care.
Keywrods: Sepsis; Intensive Care Units; Astragalus; Inflammasomes; NF-kappa B; Toll-Like Receptor 4; Mitochondria; Transcriptome
DOI: 10.5517/cc1j1f55
title: CCDC 1401546: Experimental Crystal Structure Determination

description: Related Article: Ting Wang, Ling Qin, Chuanlei Zhang, Hegen Zheng|2015|RSC Advances|5|64514|doi:10.1039/C5RA10805E
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.cc1j160s
title: CCDC 1401324: Experimental Crystal Structure Determination

description: Related Article: Xiaoyong Zhang, Limin Han, Yuanyuan Gao, Jiale Shi, Quanling Suo|2016|Chem.Res.Chin.Univ.|32|775|doi:10.1007/s40242-016-6158-7
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.cc1j162v
title: CCDC 1401326: Experimental Crystal Structure Determination

description: Related Article: Yu Zhu, Min Zhu, Pan Liu, Li Xia, Yunlong Wu, Jimin Xie|2017|J.Mol.Struct.|1130|26|doi:10.1016/j.molstruc.2016.09.074
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.cc1j163w
title: CCDC 1401327: Experimental Crystal Structure Determination

description: Related Article: Yu Zhu, Min Zhu, Pan Liu, Li Xia, Yunlong Wu, Jimin Xie|2017|J.Mol.Struct.|1130|26|doi:10.1016/j.molstruc.2016.09.074
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: 10.17632/82nyt2mxft.1
title: Mechanism-Driven Astragalus Pathways Signatures for Risk Stratification in ICU Sepsis: A Translational Bioinformatics Approach

description: Background: Astragalus, a traditional Chinese medicine, exerts pleiotropic pharmacology through multi-component, multi-target mechanisms. We curated a mechanism-anchored prior—“Astragalus → mechanistic nodes → representative genes”—from the literature and evaluated its pre-specified primary association in an ICU sepsis cohort.
Methods: We systematically searched PubMed, Embase, and Web of Science, identifying 7,774 records; 2,222 studies met inclusion after tiered screening. Evidence was stratified by experimental validation and effect direction to build two gene-set resources: an integrated pathway signature and node-specific subsets. In GSE65682 (ICU whole-blood transcriptomes; n=479), we computed single-sample scores using mean-Z transformation and singscore. Age-adjusted logistic regression estimated associations with 28-day mortality, controlling multiplicity with Benjamini–Hochberg false discovery rate (FDR). Restricted cubic splines (RCS) probed nonlinearity for the A-NLRP3 node.
Results: The integrated signature showed a directionally consistent protective trend across scoring methods; mean-Z estimates often reached or approached multiplicity-adjusted significance, while singscore yielded concordant but attenuated effects. At the node level, NLRP3 retained a robust protective association after FDR correction (OR=0.70, 95% CI 0.57–0.86; P=6.02×10⁻⁴; q=0.0037) and displayed a linear dose–response (Poverall=0.017, Pnonlinear=0.986). NF-κB and TLR4 exhibited nominally protective associations that did not survive FDR correction; several nodes showed method-dependent signals. 
Conclusions: Mechanism-driven Astragalus pathway signatures associate directionally with protection in ICU sepsis, with NLRP3 inflammasome regulation emerging as a stable mechanistic anchor. This reproducible framework translates a multi-target botanical into clinically interpretable biomarkers and supports precision applications in critical care.
Keywrods: Sepsis; Intensive Care Units; Astragalus; Inflammasomes; NF-kappa B; Toll-Like Receptor 4; Mitochondria; Transcriptome
DOI: 10.5517/cc1j1fbb
title: CCDC 1401551: Experimental Crystal Structure Determination

description: Related Article: G.A. El-Hiti, K. Smith, A.S. Hegazy, S.A. Alanazi, B.M. Kariuki|2015|Acta Crystallogr.,Sect.E:Cryst.Commun.|71|o419|doi:10.1107/S2056989015009378
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/cc1j1fjj
title: CCDC 1401557: Experimental Crystal Structure Determination

description: Related Article: X. Zhang, Y.-T. Li, Z.-Y. Wu|2015|Acta Crystallogr.,Sect.E:Cryst.Commun.|71|667|doi:10.1107/S2056989015009391
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.cc1j165y
title: CCDC 1401329: Experimental Crystal Structure Determination

description: Related Article: Maohu Shi, Yue Zhao, Haijun Xu, John Mack, Luan Yin, Xiaoyong Wang, Zhen Shen|2016|RSC Advances|6|71199|doi:10.1039/C6RA11452K
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.cc1j16kb
title: CCDC 1401341: Experimental Crystal Structure Determination

description: Related Article: Nahid Shahabadi, Farshad Shiri, Saba Hadidi, Kaveh Farshadfar, Soraya Sajadimajd, S. Mark Roe|2020|Spectrochim.Acta,Part A|235|118280|doi:10.1016/j.saa.2020.118280
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: 10.15468/dl.kpf6hq
title: Occurrence Download

description: A dataset containing 103592 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Psittacula krameri",
 "HasCoordinate is true",
 "Country is Netherlands"
 ]
}

 The dataset includes 103592 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0051871-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc1j16tl
title: CCDC 1401349: Experimental Crystal Structure Determination

description: Related Article: Elizabeth M. Boreham, Lucy Jones, Adam N. Swinburne, Mireille Blanchard-Desce, Vincent Hugues, Christine Terryn, Fabien Miomandre, Gilles Lemercier, Louise S. Natrajan|2015|Dalton Trans.|44|16127|doi:10.1039/C5DT01855B
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: 10.17632/47pv7m79gd
title: Experimental Data on Affective Induction and Decision-Making Performance by Sex: IGT and PANAS Assessments
DOI: 10.5517/cc1j1fkk
title: CCDC 1401558: Experimental Crystal Structure Determination

description: Related Article: Dinesh De, Subhadip Neogi, E. Carolina Sañudo, Parimal K. Bharadwaj|2015|Chem.-Eur.J.|21|17422|doi:10.1002/chem.201502758
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/cc1j1fll
title: CCDC 1401559: Experimental Crystal Structure Determination

description: Related Article: Dinesh De, Subhadip Neogi, E. Carolina Sañudo, Parimal K. Bharadwaj|2015|Chem.-Eur.J.|21|17422|doi:10.1002/chem.201502758
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: 10.17632/47pv7m79gd.1
title: Experimental Data on Affective Induction and Decision-Making Performance by Sex: IGT and PANAS Assessments
DOI: 10.5517/cc1j1fmm
title: CCDC 1401560: Experimental Crystal Structure Determination

description: Related Article: Dinesh De, Subhadip Neogi, E. Carolina Sañudo, Parimal K. Bharadwaj|2015|Chem.-Eur.J.|21|17422|doi:10.1002/chem.201502758
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/cc1j1fnn
title: CCDC 1401561: Experimental Crystal Structure Determination

description: Related Article: Dinesh De, Subhadip Neogi, E. Carolina Sañudo, Parimal K. Bharadwaj|2015|Chem.-Eur.J.|21|17422|doi:10.1002/chem.201502758
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/cc1j1fpp
title: CCDC 1401562: Experimental Crystal Structure Determination

description: Related Article: Dinesh De, Subhadip Neogi, E. Carolina Sañudo, Parimal K. Bharadwaj|2015|Chem.-Eur.J.|21|17422|doi:10.1002/chem.201502758
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/cc1j1fqq
title: CCDC 1401563: Experimental Crystal Structure Determination

description: Related Article: Dinesh De, Subhadip Neogi, E. Carolina Sañudo, Parimal K. Bharadwaj|2015|Chem.-Eur.J.|21|17422|doi:10.1002/chem.201502758
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/cc1j1frr
title: CCDC 1401564: Experimental Crystal Structure Determination

description: Related Article: Dinesh De, Subhadip Neogi, E. Carolina Sañudo, Parimal K. Bharadwaj|2015|Chem.-Eur.J.|21|17422|doi:10.1002/chem.201502758
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/cc1j1fss
title: CCDC 1401565: Experimental Crystal Structure Determination

description: Related Article: Dinesh De, Subhadip Neogi, E. Carolina Sañudo, Parimal K. Bharadwaj|2015|Chem.-Eur.J.|21|17422|doi:10.1002/chem.201502758
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: 10.17632/bg846sbj8y
title: TARTI_emission_EM_2025

description: This dataset provides the replication package for the paper "How do technology-oriented tax incentives affect corporate pollution emissions? Evidence from China’s Tax Reduction for Advanced Technology Imports".
DOI: 10.5517/cc10h29w
title: CCDC 938007: Experimental Crystal Structure Determination

description: Related Article: Saad Makhseed, Basma Ghazal, Amr Mohamed Abdelmoniem, Veronika Novakova, Petr Zimcik|2015|RSC Advances|5|58854|doi:10.1039/C5RA09737A
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/cc10h28v
title: CCDC 938006: Experimental Crystal Structure Determination

description: Related Article: Saad Makhseed, Basma Ghazal, Amr Mohamed Abdelmoniem, Veronika Novakova, Petr Zimcik|2015|RSC Advances|5|58854|doi:10.1039/C5RA09737A
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/cc10h2bx
title: CCDC 938008: Experimental Crystal Structure Determination

description: Related Article: Saad Makhseed, Basma Ghazal, Amr Mohamed Abdelmoniem, Veronika Novakova, Petr Zimcik|2015|RSC Advances|5|58854|doi:10.1039/C5RA09737A
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: 10.17632/bg846sbj8y.2
title: TARTI_emission_EM_2025

description: This dataset provides the replication package for the paper "How do technology-oriented tax incentives affect corporate pollution emissions? Evidence from China’s Tax Reduction for Advanced Technology Imports".
DOI: 10.5517/cc1j16wn
title: CCDC 1401351: Experimental Crystal Structure Determination

description: Related Article: Huaqi Shang, Ya Li, Xiang Li, and Xinfeng Ren|2015|J.Org.Chem.|80|8739|doi:10.1021/acs.joc.5b01574
description: Related Article: Ya Li, Xiang Li, Huaqi Shang, Xiangyu Chen, Xinfeng Ren|2016|J.Org.Chem.|81|9858|doi:10.1021/acs.joc.6b01979
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/cc1j1g78
title: CCDC 1401579: Experimental Crystal Structure Determination

description: Related Article: S.Dai, X.Sui ,C.Chen|2015|Angew.Chem.,Int.Ed.|54|9948|doi:10.1002/anie.201503708
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/cc1j173x
title: CCDC 1401358: Experimental Crystal Structure Determination

description: Related Article: Yu-Xiang Jia, Xiang-Yuan Yang, Wee Shan Tay, Yongxin Li, Sumod A. Pullarkat, Kai Xu, Hajime Hirao, Pak-Hing Leung|2016|Dalton Trans.|45|2095|doi:10.1039/C5DT02049B
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/cc1j174y
title: CCDC 1401359: Experimental Crystal Structure Determination

description: Related Article: Yu-Xiang Jia, Xiang-Yuan Yang, Wee Shan Tay, Yongxin Li, Sumod A. Pullarkat, Kai Xu, Hajime Hirao, Pak-Hing Leung|2016|Dalton Trans.|45|2095|doi:10.1039/C5DT02049B
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/cc1j175z
title: CCDC 1401360: Experimental Crystal Structure Determination

description: Related Article: Nan Zheng, Yuan-Yuan Chang, Li-Jie Zhang, Jian-Xian Gong, Zhen Yang|2016|Chem.Asian J.|11|371|doi:10.1002/asia.201500865
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/cc1j1760
title: CCDC 1401361: Experimental Crystal Structure Determination

description: Related Article: Xiao-Xi He, Yan-Fang Li, Ju Huang, Dong-Sheng Shen, Feng-Shou Liu|2016|J.Organomet.Chem.|803|58|doi:10.1016/j.jorganchem.2015.12.009
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.