cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2n0cwy
title: CCDC 2443230: Experimental Crystal Structure Determination

description: Related Article: M. A. Shmelev, A. S. Chistyakov, J. K. Voronina, G. A. Razgonyaeva, A. A. Sidorov, I. L. Eremenko |2025|Russ.J.Coord.Chem.|51|806|doi:10.1134/S1070328425600603
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.cc2nfk4t
title: CCDC 2455886: Experimental Crystal Structure Determination

description: Related Article: Kaito Segawa, Masaki Yoshida, Hiroto Kise, Junichi Takayama, Satoshi Hiura, Akihiro Murayama, Satoki Okabayashi, Motohiro Tsuboi, Takashi Tachikawa, Ken Onda, Masako Kato|2025|Angew.Chem.,Int.Ed.|64|e202513282|doi:10.1002/anie.202513282
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.cc2nfk5v
title: CCDC 2455887: Experimental Crystal Structure Determination

description: Related Article: Kaito Segawa, Masaki Yoshida, Hiroto Kise, Junichi Takayama, Satoshi Hiura, Akihiro Murayama, Satoki Okabayashi, Motohiro Tsuboi, Takashi Tachikawa, Ken Onda, Masako Kato|2025|Angew.Chem.,Int.Ed.|64|e202513282|doi:10.1002/anie.202513282
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.cc2nfk6w
title: CCDC 2455888: Experimental Crystal Structure Determination

description: Related Article: Kaito Segawa, Masaki Yoshida, Hiroto Kise, Junichi Takayama, Satoshi Hiura, Akihiro Murayama, Satoki Okabayashi, Motohiro Tsuboi, Takashi Tachikawa, Ken Onda, Masako Kato|2025|Angew.Chem.,Int.Ed.|64|e202513282|doi:10.1002/anie.202513282
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: 10.7303/syn72380119
title: Perez-Villatoro et al. 2026
DOI: 10.5517/ccdc.csd.cc2nfk8y
title: CCDC 2455890: Experimental Crystal Structure Determination

description: Related Article: Kaito Segawa, Masaki Yoshida, Hiroto Kise, Junichi Takayama, Satoshi Hiura, Akihiro Murayama, Satoki Okabayashi, Motohiro Tsuboi, Takashi Tachikawa, Ken Onda, Masako Kato|2025|Angew.Chem.,Int.Ed.|64|e202513282|doi:10.1002/anie.202513282
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.cc2nfk9z
title: CCDC 2455891: Experimental Crystal Structure Determination

description: Related Article: Kaito Segawa, Masaki Yoshida, Hiroto Kise, Junichi Takayama, Satoshi Hiura, Akihiro Murayama, Satoki Okabayashi, Motohiro Tsuboi, Takashi Tachikawa, Ken Onda, Masako Kato|2025|Angew.Chem.,Int.Ed.|64|e202513282|doi:10.1002/anie.202513282
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.cc2nfkb0
title: CCDC 2455892: Experimental Crystal Structure Determination

description: Related Article: Kaito Segawa, Masaki Yoshida, Hiroto Kise, Junichi Takayama, Satoshi Hiura, Akihiro Murayama, Satoki Okabayashi, Motohiro Tsuboi, Takashi Tachikawa, Ken Onda, Masako Kato|2025|Angew.Chem.,Int.Ed.|64|e202513282|doi:10.1002/anie.202513282
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.cc2p3z82
title: CCDC 2476474: Experimental Crystal Structure Determination

description: Related Article: Huan-Huan Chen, Yan Qin, Yao Zhang, Hui-Peng Lv, Xian-Jiang Song, Wei-Qiang Liao, Ren-Gen Xiong, Xiao-Gang Chen|2025|Adv.Mater.||e20443|doi:10.1002/adma.202520443
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.cc2p3zb4
title: CCDC 2476476: Experimental Crystal Structure Determination

description: Related Article: Huan-Huan Chen, Yan Qin, Yao Zhang, Hui-Peng Lv, Xian-Jiang Song, Wei-Qiang Liao, Ren-Gen Xiong, Xiao-Gang Chen|2025|Adv.Mater.||e20443|doi:10.1002/adma.202520443
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.cc2p3zd6
title: CCDC 2476478: Experimental Crystal Structure Determination

description: Related Article: Huan-Huan Chen, Yan Qin, Yao Zhang, Hui-Peng Lv, Xian-Jiang Song, Wei-Qiang Liao, Ren-Gen Xiong, Xiao-Gang Chen|2025|Adv.Mater.||e20443|doi:10.1002/adma.202520443
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.cc2p3zf7
title: CCDC 2476479: Experimental Crystal Structure Determination

description: Related Article: Huan-Huan Chen, Yan Qin, Yao Zhang, Hui-Peng Lv, Xian-Jiang Song, Wei-Qiang Liao, Ren-Gen Xiong, Xiao-Gang Chen|2025|Adv.Mater.||e20443|doi:10.1002/adma.202520443
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.cc2pj5zd
title: CCDC 2488214: Experimental Crystal Structure Determination

description: Related Article: Sha Yang, Jie Zhou, Shikai Wei, Jiajia Cheng, Songhua Chen, Yuanming Li|2026|J.Org.Chem.|||doi:10.1021/acs.joc.5c02378
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: 10.5281/zenodo.17933460
title: The Hypothesis of an Undiscovered Master Regulator in the Pluripotency Gene Regulatory Network: Mathematical Modeling, Stochastic Simulations, and Nanotechnology-Enabled Discovery

description: Low reprogramming efficiency in induced pluripotent stem cells (iPSCs) generated with Yamanaka factors indicates potential missing elements in the core pluripotency gene regulatory network (GRN). This theoretical-computational study hypothesizes an undiscovered master regulator (X) that exerts strong positive feedback on Nanog, enhancing network stability and reprogramming kinetics. Building on established models, we develop a reproducible ordinary differential equation (ODE) framework with transient external drive to mimic factor overexpression. Deterministic simulations reveal elevated and more robust Nanog steady-states with X. Stochastic extensions using stochastic differential equations (SDEs) demonstrate noise reduction, addressing cellular heterogeneity. Global sensitivity analysis quantifies robustness, phase plane analysis shows expanded pluripotent basins of attraction, and bifurcation diagrams confirm enhanced bistability. Parameters are rigorously justified from literature-reported protein half-lives and nondimensionalized. A bioinformatic analysis of public RNA-seq datasets identifies candidates (e.g., SRSF3, Esrrb) with expression patterns matching model predictions. Full Python code ensures reproducibility. We propose concrete nanotechnology-enabled strategies (nanoparticle-based pull-down assays) for empirical discovery of X.
DOI: 10.5281/zenodo.18337842
title: The Hypothesis of an Undiscovered Master Regulator in the Pluripotency Gene Regulatory Network: Mathematical Modeling, Stochastic Simulations, and Nanotechnology-Enabled Discovery

description: Low reprogramming efficiency in induced pluripotent stem cells (iPSCs) generated with Yamanaka factors indicates potential missing elements in the core pluripotency gene regulatory network (GRN). This theoretical-computational study hypothesizes an undiscovered master regulator (X) that exerts strong positive feedback on Nanog, enhancing network stability and reprogramming kinetics. Building on established models, we develop a reproducible ordinary differential equation (ODE) framework with transient external drive to mimic factor overexpression. Deterministic simulations reveal elevated and more robust Nanog steady-states with X. Stochastic extensions using stochastic differential equations (SDEs) demonstrate noise reduction, addressing cellular heterogeneity. Global sensitivity analysis quantifies robustness, phase plane analysis shows expanded pluripotent basins of attraction, and bifurcation diagrams confirm enhanced bistability. Parameters are rigorously justified from literature-reported protein half-lives and nondimensionalized. A bioinformatic analysis of public RNA-seq datasets identifies candidates (e.g., SRSF3, Esrrb) with expression patterns matching model predictions. Full Python code ensures reproducibility. We propose concrete nanotechnology-enabled strategies (nanoparticle-based pull-down assays) for empirical discovery of X.
DOI: 10.5517/ccdc.csd.cc2pj66n
title: CCDC 2488221: Experimental Crystal Structure Determination

description: Related Article: Yongxin Liu, Faqiang Niu, Shaofeng Liu, Zhibo Li|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c04568
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.cc2pj67p
title: CCDC 2488222: Experimental Crystal Structure Determination

description: Related Article: Yongxin Liu, Faqiang Niu, Shaofeng Liu, Zhibo Li|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c04568
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.cc2pjczl
title: CCDC 2488400: Experimental Crystal Structure Determination

description: Related Article: David Oliveros Garavito, Andrea Pastrana-Dávila, Javier Ellena, Pedro H.O. Santiago, Oscar Rojas, Dominik Pentlehner, Luis A. Illicachi, Richard D’Vries|2026|J.Mol.Struct.|1357||doi:10.1016/j.molstruc.2025.145191
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.cc2pjrqq
title: CCDC 2488764: Experimental Crystal Structure Determination

description: Related Article: Xian-Jin Huang, Guan-Zhao Wang, Yu-Qiong Duan, Lan-Qin Chai|2026|J.Mol.Struct.|1357||doi:10.1016/j.molstruc.2025.145209
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.cc2pp45q
title: CCDC 2492963: Experimental Crystal Structure Determination

description: Related Article: Yu‐Ting Chu, Chun‐Juei Chang, Yu‐Lun Chang, Hsuan‐Ying Chen, Shangwu Ding, Vincent C.‐C. Wang, Sodio C. N. Hsu|2026|Appl.Organomet.Chem.|40|e70512|doi:10.1002/aoc.70512
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.cc2prhzy
title: CCDC 2495251: Experimental Crystal Structure Determination

description: Related Article: Hanife İbişoğlu, Şule Şahin Ün, Yunus Zorlu, Devrim Atilla, Gülşah Tollu, Ersin Kılınç, Sadin Özdemir|2026|J.Mol.Struct.|1357||doi:10.1016/j.molstruc.2025.145199
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.cc2pzqp3
title: CCDC 2502186: Experimental Crystal Structure Determination

description: Related Article: Zhe-Xuan Li, Si-Chen Tao, Gong-Shun Wang, Yue Liu, Xiuxiu Guo, Yan-Long Zheng|2026|JACS Au|||doi:10.1021/jacsau.5c01508
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.cc2lpdb1
title: CCDC 2403843: Experimental Crystal Structure Determination

description: Related Article: Jia-Yi Shi, Meng-Qi Lu, Ming-Yu Dong, Xin Xiong, Juan Yang, Xue-Fei Song, Gui-Mei Tang, Yong-Tao Wang|2026|Results in Chemistry|20||doi:10.1016/j.rechem.2025.103024
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.cc2n3925
title: CCDC 2446026: Experimental Crystal Structure Determination

description: Related Article: Xue-Rui Zhang, Sen Wang, Yong-Ping Li, Zhao-Quan Yao, Fu-Chen Liu, Jiong-Peng Zhao|2026|J.Mol.Struct.|1357||doi:10.1016/j.molstruc.2026.145268
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: 10.25824/redu/onbfmz
title: Dataset associated with the paper: Copper nanoparticles exsolution from Sr(Ti, Fe)O3 perovskites: material tuning and probing (electro)catalytic applicability

description: Data related to the electrochemical experiments conducted by CampEg group and included in the publication "Copper Nanoparticles Exsolution from Sr(Ti, Fe)O3 Perovskites: Material Tuning and Probing (Electro)catalytic Applicability"
DOI: 10.5281/zenodo.17198993
title: S2-GlobalWater dataset
DOI: 10.5281/zenodo.17198992
title: S2-GlobalWater dataset
DOI: 10.5281/zenodo.18337779
title: Supplementary Materials
DOI: 10.5281/zenodo.18337780
title: Supplementary Materials
DOI: 10.25824/redu/8chlww
title: Detecção de parasitos intestinais em microscopia óptica: uma abordagem baseada em Dicionários de Pontos Característicos, Modelagem de Forma e Árvores Dinâmicas com Relaxação

description: Este repositório contém dados relacionados à dissertação de mestrado "Detecção de parasitos intestinais em microscopia óptica: Uma abordagem baseada em Dicionários de Pontos Característicos, Modelagem de Forma e Árvores Dinâmicas com Relaxação", defendida em 18/11/2025, no Programa de Pós Graduação em Ciência da Computação do IC/UNICAMP.
DOI: 10.13140/rg.2.2.32761.33128
title: Reviewer certificate awarded to Pedro Contreras in recognition of his contribution to six manuscripts in the period 2025 - 2026 for the Journal Symmetry - MDPI.
DOI: 10.5281/zenodo.15429859
title: Dataset of "How the absorber thickness affects the electrical and structural properties of Sb2Se3 solar cells"

description: In this study, we analyze the impact of different thickness of antimony selenide (Sb2Se3) thin films and post annealing treatment on the electrical properties of the absorber and on the efficiency of the finished solar cells. Sb2Se3 absorbers have been deposited with thickness from 400 nm up to 1200 nm, grown by thermal evaporation on CdSe buffer layer in superstrate configuration. Surprisingly, the highest efficiency has been delivered by the Sb2Se3 with the lowest thickness, analysis shows a large absorption spectra and higher quantum efficiency response as well as a higher carrier concentration.  On the contrary, no difference in crystal orientation between different thicknesses with orientation that results not particular favorable.The post-annealing treatment in air ambient at 150°C, improves the final efficiency of the cells with a major impact on the thinnest absorber. It increases the Voc and it corrects the rollover effect observed in the JV of the thicker absorber layers. There are no effects on the crystal structure (size and orientation of the grains) but mostly on the passivation of the defects
DOI: 10.5281/zenodo.15429860
title: Dataset of "How the absorber thickness affects the electrical and structural properties of Sb2Se3 solar cells"

description: In this study, we analyze the impact of different thickness of antimony selenide (Sb2Se3) thin films and post annealing treatment on the electrical properties of the absorber and on the efficiency of the finished solar cells. Sb2Se3 absorbers have been deposited with thickness from 400 nm up to 1200 nm, grown by thermal evaporation on CdSe buffer layer in superstrate configuration. Surprisingly, the highest efficiency has been delivered by the Sb2Se3 with the lowest thickness, analysis shows a large absorption spectra and higher quantum efficiency response as well as a higher carrier concentration.  On the contrary, no difference in crystal orientation between different thicknesses with orientation that results not particular favorable.The post-annealing treatment in air ambient at 150°C, improves the final efficiency of the cells with a major impact on the thinnest absorber. It increases the Voc and it corrects the rollover effect observed in the JV of the thicker absorber layers. There are no effects on the crystal structure (size and orientation of the grains) but mostly on the passivation of the defects
DOI: 10.5281/zenodo.17212379
title: S2-JiangnanWater dataset
DOI: 10.5281/zenodo.17212380
title: S2-JiangnanWater dataset
DOI: 10.60534/7phm7-5xg61
title: In vitro effects of potato glycoalkaloids on plant-pathogens, beneficial microbes, and Arabidopsis thaliana

description: hosted on: https://git.nfdi4plants.org/projects/2886
DOI: 10.60534/as0hg-57s58
title: In vitro effects of potato glycoalkaloids on plant-pathogens, beneficial microbes, and Arabidopsis thaliana

description: hosted on: https://git.nfdi4plants.org/projects/2886
DOI: 10.25824/redu/u98xsq
title: Mudança na circulação costeira com a introdução de quebra-mares em Santos–SP

description: Os dados disponíveis são de velocidade da corrente (m/s) e da concentração de um contaminante hipotético (NMP/100ml) provenientes de modelagem computacional (software Mike 21) simulado para um período com ondas na ordem de 0,5 m na Ilha das Palmas durante uma quadratura do ano de 2022. Os dados são do ponto Beta localizado na ponta da praia de Santos para três situações distintas de obra de proteção sendo estas: Base que representa a condição de um quebra-mar submerso com cota de coroamento de -0,5 m DHN; Opção 1 que representa um molhe com cota de coroamento 0,0 m DHN; e a Opção 2 que representa um molhe emerso com cota de coroamento 2,0 m DHN.
DOI: 10.15468/dl.m4n8u8
title: Occurrence Download

description: A dataset containing 103126 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Germany",
 "GadmGid is DEU.10_1",
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Papilionidae, Pieridae, Nymphalidae, Satyridae, Lycaenidae, Hesperiidae)",
 "Year 2024-2026"
 ]
}

 The dataset includes 103126 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004744-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.