cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc7f6zt
title: CCDC 221246: Experimental Crystal Structure Determination

description: Related Article: B.Sreenivasulu, J.J.Vittal|2003|Cryst.Growth Des.|3|635|doi:10.1021/cg034052m
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: 10.3535/4qe-a7m-3qw
title: Osyris alba L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5286/isis.e.rb2590253-1
title: NTS d3-Toluene

description: This is a sample of toluene for measurement on VESUVIO before the neutron training school
DOI: 10.5286/isis.e.rb2590253
title: NTS d3-Toluene

description: This is a sample of toluene for measurement on VESUVIO before the neutron training school
DOI: 10.15468/dl.khya3q
title: Occurrence Download

description: A dataset containing 39 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Bivalvia)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((110 -70,120 -70,120 -60,110 -60,110 -70))"
 ]
}

 The dataset includes 39 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024352-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.duzv66
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Caudofoveata)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((80 50,90 50,90 60,80 60,80 50))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024351-251009101135966/datasets/export for details.
DOI: 10.15468/dl.adcpyg
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Caudofoveata)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((90 50,100 50,100 60,90 60,90 50))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024353-251009101135966/datasets/export for details.
DOI: 10.5517/ccdc.csd.cc10lmjr
title: CCDC 941424: Experimental Crystal Structure Determination

description: Related Article: Rodolphe Kinghat, Abderrahim Khatyr, Michael Knorr, Carsten Strohmann, Marek M. Kubicki|2024|Chemistry|6|62|doi:10.3390/chemistry6010004
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.cc10lmks
title: CCDC 941425: Experimental Crystal Structure Determination

description: Related Article: Rodolphe Kinghat, Abderrahim Khatyr, Michael Knorr, Carsten Strohmann, Marek M. Kubicki|2024|Chemistry|6|62|doi:10.3390/chemistry6010004
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.cc2l2461
title: CCDC 2385332: Experimental Crystal Structure Determination

description: Related Article: Kun Li, Yin Zeng, Kai-Hang Li, Yifan Yang, Jinhui Shen, Huifeng Guo, Yingfei Tan, Jing-Jing Guo, Anhua Hu|2026|Nat. Synth.|||doi:10.1038/s44160-025-00976-4
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.cc2kzzfz
title: CCDC 2383262: Experimental Crystal Structure Determination

description: Related Article: Shengfu Wu, Xin Song, Jie Lu, Wenchao Hao, and Minghua Liu|2025|Angew.Chem.,Int.Ed.|64|e202421108|doi:10.1002/anie.202421108
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.cc2lynbk
title: CCDC 2411779: Experimental Crystal Structure Determination

description: Related Article: Bang Hou, Xing Han, Haomiao Xie, Chen Yuan, Yu Guo, Xinfa Chen, Xianhui Tang, Shengyi Su, Hong Jiang, Zi-Ming Ye, Kent O. Kirlikovali, Yan Liu, Omar K. Farha, Yong Cui|2025|J.Am.Chem.Soc.|147|12127|doi:10.1021/jacs.5c00458
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.cc2lyncl
title: CCDC 2411780: Experimental Crystal Structure Determination

description: Related Article: Bang Hou, Xing Han, Haomiao Xie, Chen Yuan, Yu Guo, Xinfa Chen, Xianhui Tang, Shengyi Su, Hong Jiang, Zi-Ming Ye, Kent O. Kirlikovali, Yan Liu, Omar K. Farha, Yong Cui|2025|J.Am.Chem.Soc.|147|12127|doi:10.1021/jacs.5c00458
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.cc2m7mwd
title: CCDC 2420414: Experimental Crystal Structure Determination

description: Related Article: Jing Gong|2026|Nat. Synth.|||doi:10.1038/s44160-025-00979-1
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.cc2n8x2y
title: CCDC 2451420: Experimental Crystal Structure Determination

description: Related Article: Fuxing Shi, Nils Frank, Markus Leutzsch, Chendan Zhu, Nobuya Tsuji, Benjamin List|2026|Nat. Synth.|||doi:10.1038/s44160-025-00951-z
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n99w5
title: CCDC 2451817: Experimental Crystal Structure Determination

description: Related Article: Ze-Xin Zhang, KaiChen Shu, Michael. J. Tilby, Mark John P. Mandigma, Yiheng Guo, Jasper L. Tyler, Adam Noble, Varinder. K. Aggarwal
|2026|Nat. Synth.|||doi:10.1038/s44160-026-00990-0
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: 10.15468/dl.eg48es
title: Occurrence Download

description: A dataset containing 2150 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Culex bitaeniorhynchus"
 ]
}

 The dataset includes 2150 records from 27 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024423-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2n99x6
title: CCDC 2451818: Experimental Crystal Structure Determination

description: Related Article: Ze-Xin Zhang, KaiChen Shu, Michael. J. Tilby, Mark John P. Mandigma, Yiheng Guo, Jasper L. Tyler, Adam Noble, Varinder. K. Aggarwal
|2026|Nat. Synth.|||doi:10.1038/s44160-026-00990-0
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.cc2nh34f
title: CCDC 2457374: Experimental Crystal Structure Determination

description: Related Article: Maryam Gholami,  Gholamhassan Imanzadeh,  Farhad Kabiri Esfahani,  Morteza Karami-Zarandi,  Amir Nasser Shamkhali|2026|Scientific Reports|16|2999|doi:10.1038/s41598-025-32881-3
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.cc2nf45f
title: CCDC 2455484: Experimental Crystal Structure Determination

description: Related Article: Yan Cha,  Zhaoziyuan Yang,  Xiao Zhuang,  Pengyu Gao,  Tingting Liu,  Fei Luo,  Xianjia Ni,  Qing Luo,  Wei Lu|2026|Nat.Commun.|||doi:10.1038/s41467-026-69118-4
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.cc2qgjxn
title: CCDC 2516422: Experimental Crystal Structure Determination

description: Related Article: James Luk, Luke Andrew, Garima Saini, Matthew J. Andrews, Emily Feeke, Aidan P. McKay, David B. Cordes, Michael Bühl, Amit Kumar|2026|ACS Catalysis|16|2309|doi:10.1021/acscatal.5c07116
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.cc2qk30f
title: CCDC 2518874: Experimental Crystal Structure Determination

description: Related Article: Zhan-Hong Ye, Qiao-Qiao Ao, Yang-Chao Peng, Xin Liu, Xing Lin, Chuang-Chuang Li|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.6c00187
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.cc2qk32h
title: CCDC 2518876: Experimental Crystal Structure Determination

description: Related Article: Zhan-Hong Ye, Qiao-Qiao Ao, Yang-Chao Peng, Xin Liu, Xing Lin, Chuang-Chuang Li|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.6c00187
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.cc2pz4rl
title: CCDC 2501630: Experimental Crystal Structure Determination

description: Related Article: Ritu Yadav, Subrata Kundu|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05331
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.cc2pz4vp
title: CCDC 2501633: Experimental Crystal Structure Determination

description: Related Article: Ritu Yadav, Subrata Kundu|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05331
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.j2ecf3
title: Occurrence Download

description: A dataset containing 30230 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is one of (Asia, North America)",
 "Country is one of (Mexico, Japan, United States of America)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Issue is Coordinate rounded",
 "IucnRedListCategory is LC",
 "Month is one of (May, April, March, November, October, September)",
 "PublishingOrg is 28eb1a3f-1c15-4a95-931a-4af90ecb574d",
 "TaxonKey is Procyon lotor",
 "Year 2006-2023"
 ]
}

 The dataset includes 30230 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024425-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2pz4tn
title: CCDC 2501632: Experimental Crystal Structure Determination

description: Related Article: Ritu Yadav, Subrata Kundu|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05331
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.cc2pz4wq
title: CCDC 2501634: Experimental Crystal Structure Determination

description: Related Article: Ritu Yadav, Subrata Kundu|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05331
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.cc2qmtry
title: CCDC 2521501: Experimental Crystal Structure Determination

description: Related Article: Lili Sun,  Yong Yuan,  Yang Xu,  Chuanxin Wei,  Mingjian Ni,  Zhiqiang Zhuo,  Yingying Zheng,  Xilai Jia,  Jiangli Cai,  Xiang An,  Jingmin Wang,  Yahui Zhang,  Qiang Zhao,  Yamin Han,  Bin Liu,  Hong-Hua Fang,  Chunfeng Zhang,  Chen Sun,  Man Xu,  Lubing Bai,  Jianming Zhang,  Jinyi Lin,  Wei Huang|2026|Nat.Commun.|||doi:10.1038/s41467-026-68849-8
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.cc2kxj9b
title: CCDC 2380902: Experimental Crystal Structure Determination

description: Related Article: Xiao-Ya Sun, Xiang-Rui Liu, Ye-Wei Huang, Qi-Lin Zhou, Li-Jun Xiao|2026|Org.Lett.|||doi:10.1021/acs.orglett.6c00185
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.cc2qnry3
title: CCDC 2522406: Experimental Crystal Structure Determination

description: Related Article: Xuemei Wen, Qinglan Zhong, Guohong Zou, Jing Li, Zhien Lin|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.6c00202
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.cc2qnvbl
title: CCDC 2522480: Experimental Crystal Structure Determination

description: Related Article: Bingyan Yin,  Zhili Chen,  Baoqi Wu,  Xiyue Yuan,  Cong Xiao,  Xia Zhou,  Jianbin Zhong,  Seunglok Lee,  Wei Chen,  Lifu Zhang,  Liming Wang,  Guangye Zhang,  Wei Zhang,  Changduk Yang,  Zhitian Liu,  Fei Huang,  Yong Cao,  Chunhui Duan|2026|Nat.Commun.|||doi:10.1038/s41467-026-69051-6
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.cc2qnvcm
title: CCDC 2522481: Experimental Crystal Structure Determination

description: Related Article: Bingyan Yin,  Zhili Chen,  Baoqi Wu,  Xiyue Yuan,  Cong Xiao,  Xia Zhou,  Jianbin Zhong,  Seunglok Lee,  Wei Chen,  Lifu Zhang,  Liming Wang,  Guangye Zhang,  Wei Zhang,  Changduk Yang,  Zhitian Liu,  Fei Huang,  Yong Cao,  Chunhui Duan|2026|Nat.Commun.|||doi:10.1038/s41467-026-69051-6
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.29597855
title: Supplementary Material for: AFP and DCP-Based Tumor Marker Score for First-line Immunotherapy Selection in Hepatocellular Carcinoma

description: Background
Atezolizumab plus bevacizumab (Atez/Bev) and durvalumab plus tremelimumab (Dur/Tre) are standard first-line therapies for unresectable hepatocellular carcinoma (HCC). However, predictive biomarkers to guide treatment selection remain undefined. In this study, we aimed to evaluate the prognostic utility of a modified tumor marker (mTM) score, incorporating alpha-fetoprotein (AFP) and des-gamma-carboxy prothrombin (DCP), for selecting between Atez/Bev and Dur/Tre and in stratifying treatment outcomes of unresectable HCC.
Methods
We conducted a multicenter retrospective study of 1313 patients with unresectable HCC treated with either Atez/Bev (n = 1157) or Dur/Tre (n = 156). The mTM score was defined based on baseline AFP (≥ 100 ng/mL) and DCP (≥ 100 mAU/mL), assigning one point for each elevated marker. Patients were categorized as mTM low (score 0) or mTM high (score 1–2). Survival outcomes were analyzed using Kaplan-Meier curves and Cox proportional hazards models, with inverse probability of treatment weighting (IPTW) applied for confounder adjustment.
Results
Among the mTM low patients, Atez/Bev was associated with significantly longer progression-free survival (PFS) (11.5 vs. 4.4 months, p &lt; 0.001) and overall survival (30.6 vs. 17.0 months, p = 0.023) than Dur/Tre. In contrast, in mTM high patients, PFS was comparable between Atez/Bev and Dur/Tre (6.6 vs. 6.5 months, p = 0.873). However, in patients with DCP &gt; 400 mAU/mL, Dur/Tre was associated with improved PFS.
Conclusion
The mTM score is a clinically relevant biomarker for treatment stratification in unresectable HCC. Atez/Bev may be preferable in mTM low patients, whereas Dur/Tre may provide greater benefit in those with elevated DCP levels. Prospective validation is warranted to refine the optimal cutoff values for clinical implementation.