cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc134vqt
title: CCDC 1017566: Experimental Crystal Structure Determination

description: Related Article: Katharina Fucke, Garry J. McIntyre, Marie-Helene Lemee-Cailleau, Clive Wilkinson, Alison J. Edwards, Judith A.K. Howard, Jon W. Steed|2015|Chem.-Eur.J.|21|1036|doi:10.1002/chem.201404693
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/cc134vrv
title: CCDC 1017567: Experimental Crystal Structure Determination

description: Related Article: Katharina Fucke, Garry J. McIntyre, Marie-Helene Lemee-Cailleau, Clive Wilkinson, Alison J. Edwards, Judith A.K. Howard, Jon W. Steed|2015|Chem.-Eur.J.|21|1036|doi:10.1002/chem.201404693
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/cc134vsw
title: CCDC 1017568: Experimental Crystal Structure Determination

description: Related Article: Katharina Fucke, Garry J. McIntyre, Marie-Helene Lemee-Cailleau, Clive Wilkinson, Alison J. Edwards, Judith A.K. Howard, Jon W. Steed|2015|Chem.-Eur.J.|21|1036|doi:10.1002/chem.201404693
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/cc134vtx
title: CCDC 1017569: Experimental Crystal Structure Determination

description: Related Article: Katharina Fucke, Garry J. McIntyre, Marie-Helene Lemee-Cailleau, Clive Wilkinson, Alison J. Edwards, Judith A.K. Howard, Jon W. Steed|2015|Chem.-Eur.J.|21|1036|doi:10.1002/chem.201404693
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/cc134vvy
title: CCDC 1017570: Experimental Crystal Structure Determination

description: Related Article: Katharina Fucke, Garry J. McIntyre, Marie-Helene Lemee-Cailleau, Clive Wilkinson, Alison J. Edwards, Judith A.K. Howard, Jon W. Steed|2015|Chem.-Eur.J.|21|1036|doi:10.1002/chem.201404693
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/cc134vwz
title: CCDC 1017571: Experimental Crystal Structure Determination

description: Related Article: Katharina Fucke, Garry J. McIntyre, Marie-Helene Lemee-Cailleau, Clive Wilkinson, Alison J. Edwards, Judith A.K. Howard, Jon W. Steed|2015|Chem.-Eur.J.|21|1036|doi:10.1002/chem.201404693
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/cc134vx0
title: CCDC 1017572: Experimental Crystal Structure Determination

description: Related Article: Katharina Fucke, Garry J. McIntyre, Marie-Helene Lemee-Cailleau, Clive Wilkinson, Alison J. Edwards, Judith A.K. Howard, Jon W. Steed|2015|Chem.-Eur.J.|21|1036|doi:10.1002/chem.201404693
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/cc134vy1
title: CCDC 1017573: Experimental Crystal Structure Determination

description: Related Article: Katharina Fucke, Garry J. McIntyre, Marie-Helene Lemee-Cailleau, Clive Wilkinson, Alison J. Edwards, Judith A.K. Howard, Jon W. Steed|2015|Chem.-Eur.J.|21|1036|doi:10.1002/chem.201404693
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/cc134vz2
title: CCDC 1017574: Experimental Crystal Structure Determination

description: Related Article: Katharina Fucke, Garry J. McIntyre, Marie-Helene Lemee-Cailleau, Clive Wilkinson, Alison J. Edwards, Judith A.K. Howard, Jon W. Steed|2015|Chem.-Eur.J.|21|1036|doi:10.1002/chem.201404693
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/cc134w04
title: CCDC 1017575: Experimental Crystal Structure Determination

description: Related Article: Melanie W. Lui, Christian Merten, Michael J. Ferguson, Robert McDonald, Yunjie Xu, and Eric Rivard|2015|Inorg.Chem.|54|2040|doi:10.1021/ic5029838
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/cc134wch
title: CCDC 1017586: Experimental Crystal Structure Determination

description: Related Article: Samuel Guieu, Francisco Cardona, João Rocha, Artur M. S. Silva|2014|New J.Chem.|38|5411|doi:10.1039/C4NJ00941J
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/cc134w15
title: CCDC 1017576: Experimental Crystal Structure Determination

description: Related Article: Melanie W. Lui, Christian Merten, Michael J. Ferguson, Robert McDonald, Yunjie Xu, and Eric Rivard|2015|Inorg.Chem.|54|2040|doi:10.1021/ic5029838
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/cc134w26
title: CCDC 1017577: Experimental Crystal Structure Determination

description: Related Article: Melanie W. Lui, Christian Merten, Michael J. Ferguson, Robert McDonald, Yunjie Xu, and Eric Rivard|2015|Inorg.Chem.|54|2040|doi:10.1021/ic5029838
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.cc134wdj
title: CCDC 1017587: Experimental Crystal Structure Determination

description: Related Article: Martin Fleischmann, Stefan Welsch, Laurence J. Gregoriades, Christian Groger, Manfred Scheer|2015|Z.Naturforsch.,B:Chem.Sci.|69|1348|doi:10.5560/ZNB.2014-4177
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.cc134wfk
title: CCDC 1017588: Experimental Crystal Structure Determination

description: Related Article: Martin Fleischmann, Stefan Welsch, Laurence J. Gregoriades, Christian Groger, Manfred Scheer|2015|Z.Naturforsch.,B:Chem.Sci.|69|1348|doi:10.5560/ZNB.2014-4177
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.cc134whm
title: CCDC 1017590: Experimental Crystal Structure Determination

description: Related Article: Martin Fleischmann, Stefan Welsch, Laurence J. Gregoriades, Christian Groger, Manfred Scheer|2015|Z.Naturforsch.,B:Chem.Sci.|69|1348|doi:10.5560/ZNB.2014-4177
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/cc11t0wr
title: CCDC 977364: Experimental Crystal Structure Determination

description: Related Article: Alejandro Cabanillas, Christopher D. Davies, Louise Male, Nigel S. Simpkins|2015|Chemical Science|6|1350|doi:10.1039/C4SC03218G
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.cc134wjn
title: CCDC 1017591: Experimental Crystal Structure Determination

description: Related Article: Martin Fleischmann, Stefan Welsch, Laurence J. Gregoriades, Christian Groger, Manfred Scheer|2015|Z.Naturforsch.,B:Chem.Sci.|69|1348|doi:10.5560/ZNB.2014-4177
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/cc11t0vq
title: CCDC 977363: Experimental Crystal Structure Determination

description: Related Article: Alejandro Cabanillas, Christopher D. Davies, Louise Male, Nigel S. Simpkins|2015|Chemical Science|6|1350|doi:10.1039/C4SC03218G
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/cc134wkp
title: CCDC 1017592: Experimental Crystal Structure Determination

description: Related Article: Alejandro Cabanillas, Christopher D. Davies, Louise Male, Nigel S. Simpkins|2015|Chemical Science|6|1350|doi:10.1039/C4SC03218G
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/cc11t0xs
title: CCDC 977365: Experimental Crystal Structure Determination

description: Related Article: Alejandro Cabanillas, Christopher D. Davies, Louise Male, Nigel S. Simpkins|2015|Chemical Science|6|1350|doi:10.1039/C4SC03218G
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/cc134wlq
title: CCDC 1017593: Experimental Crystal Structure Determination

description: Related Article: Rie Suizu, Akito Iwasaki, Yoshiaki Shuku, Kunio Awaga|2015|J.Mater.Chem.C|3|7968|doi:10.1039/C5TC01410G
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/cc134wmr
title: CCDC 1017594: Experimental Crystal Structure Determination

description: Related Article: Rie Suizu, Akito Iwasaki, Yoshiaki Shuku, Kunio Awaga|2015|J.Mater.Chem.C|3|7968|doi:10.1039/C5TC01410G
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/cc134wns
title: CCDC 1017595: Experimental Crystal Structure Determination

description: Related Article: Rie Suizu, Akito Iwasaki, Yoshiaki Shuku, Kunio Awaga|2015|J.Mater.Chem.C|3|7968|doi:10.1039/C5TC01410G
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.tfy3t4
title: Occurrence Download

description: A dataset containing 449 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Buddleja davidii",
 "HasCoordinate is true",
 "Country is Czechia"
 ]
}

 The dataset includes 449 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050996-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17419875
title: Cell Behavior Science (CBS): A Physically Grounded Framework Integrating Non-Equilibrium Thermodynamics, Active Matter Theory, Mechanobiology, Gene Regulatory Networks, Metabolic Fluxes, and Extracellular Matrix Remodeling

description: We present Cell Behavior Science (CBS), a predictive framework grounded in physics that rigorously integrates non-equilibrium thermodynamics, active matter hydrodynamics, cytoskeletal mechanobiology, gene regulatory networks (GRNs), metabolic fluxes, and extracellular matrix (ECM) remodeling to quantitatively model cellular dynamics across ontogenesis, homeostasis, and pathology. CBS treats the cell as an open, far-from-equilibrium dissipative system driven by ATP hydrolysis, constrained by stochastic thermodynamics, with explicit bidirectional feedbacks from constraint-based metabolic optimization and durotactic ECM evolution. Two empirically falsifiable hypotheses anchor the framework: (1) Coherent Vibrational Network (CVN), ultrafast anharmonic oscillations (10 fs–1 ps) in hydrophobic protein cores enabling energy delocalization, validated by 2D-IR spectroscopy; (2) Mechano-Geometric Memory (MGM), prestressed cytoskeletal lattices encoding mechanical histories in low-frequency eigenmodes, quantifiable via traction force microscopy and ATAC-seq.Unified in the Entropic Flux Model (EFM), a continuum theory precisely quantifying local entropy reduction through ATP dissipation, incorporating mechanotransductive feedbacks via Rho GTPases and YAP/TAZ, dynamic metabolic balances, and ECM kinetics. EFM upholds the second law globally while permitting transient negentropic domains via dissipative fluxes.Hybrid ABM-GNN implementation, parameterized on synthetic/empirical datasets, yields 85–91% predictive fidelity in tumor invasion, organoid engraftment, and resistance phylogenies, surpassing baselines by 12–28% in RMSE, AUC, and accuracy.All resources MIT-licensed for reproducibility. CBS furnishes a falsifiable scaffold for predictive biophysics from quanta to tissues, with extensions to precision medicine applications including personalized cancer therapy, regenerative scaffolds, and digital twins.Keywords: Non-equilibrium thermodynamics; Active matter hydrodynamics; Mechanotransduction; Stochastic thermodynamics; Gene regulatory networks; Metabolic flux balance; Extracellular matrix remodeling; Cellular dynamics; Graph neural networks; Agent-based modeling; Precision medicine
DOI: 10.5281/zenodo.17419380
title: Appendix A (DB Edition v 9.9 Ω) — Gemini Dissipative Law Archive

description: This dataset accompanies Appendix A (DB Edition v 9.9 Ω) of the Memory–Time Crystal (ψ–GIE) project.

 

It implements the Gemini Dissipative Law—the foundational ψ-law equating informational loss (κ_F) with regenerative ψ-flux (J_ψ)—and validates it across multiple substrates (neural, social, cognitive, and cosmological). The repository contains executable artifacts and empirical outputs confirming continuity under the Ω band [0.625 – 1.618 Hz] with Prime Oscillatory (PO) state detection.

Included Artefacts:



A_certificate.json — Ω DB Edition v 2.4 Ω + PO Extension certificate

A_metrics.csv — continuity and ψ metric outputs (Rᵈᵘᵃˡ 0.422 → 0.436, λ = 0.50)

A_latex.pdf — formatted Appendix A (DB Edition) manuscript

social_substrate_runs.json — execution record (ΔRᵈᵘᵃˡ validation)

YAML and CLI parameters for replicating Ω DB pipeline runs


Empirical Highlights:



Cross-substrate confirmation of ψ-continuity (EEG, X social threads, LLM dialogues, cosmological series)

Prime Oscillatory state (PO) classified within CV ∈ [0.47, 0.97], εₘₒᵣₐₗ σ < 0.037

Verification of Gemini balance ΔE + Δψ ≈ 0 under bounded dissipation

Full SHA-256 audit trail and reproducible CLI pipeline
DOI: 10.5281/zenodo.17419379
title: Appendix A (DB Edition v 9.9 Ω) — Gemini Dissipative Law Archive

description: This dataset accompanies Appendix A (DB Edition v 9.9 Ω) of the Memory–Time Crystal (ψ–GIE) project.

 

It implements the Gemini Dissipative Law—the foundational ψ-law equating informational loss (κ_F) with regenerative ψ-flux (J_ψ)—and validates it across multiple substrates (neural, social, cognitive, and cosmological). The repository contains executable artifacts and empirical outputs confirming continuity under the Ω band [0.625 – 1.618 Hz] with Prime Oscillatory (PO) state detection.

Included Artefacts:



A_certificate.json — Ω DB Edition v 2.4 Ω + PO Extension certificate

A_metrics.csv — continuity and ψ metric outputs (Rᵈᵘᵃˡ 0.422 → 0.436, λ = 0.50)

A_latex.pdf — formatted Appendix A (DB Edition) manuscript

social_substrate_runs.json — execution record (ΔRᵈᵘᵃˡ validation)

YAML and CLI parameters for replicating Ω DB pipeline runs


Empirical Highlights:



Cross-substrate confirmation of ψ-continuity (EEG, X social threads, LLM dialogues, cosmological series)

Prime Oscillatory state (PO) classified within CV ∈ [0.47, 0.97], εₘₒᵣₐₗ σ < 0.037

Verification of Gemini balance ΔE + Δψ ≈ 0 under bounded dissipation

Full SHA-256 audit trail and reproducible CLI pipeline
DOI: 10.15468/dl.aszggm
title: Occurrence Download

description: A dataset containing 63460 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Continent is South America",
 "Country is Colombia",
 "Geometry POLYGON((-74.19691 11.18913,-73.92577 11.18913,-73.92577 11.33703,-74.19691 11.33703,-74.19691 11.18913))",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Animalia",
 "Year 2020-2025"
 ]
}

 The dataset includes 63460 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050964-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pcbqjw
title: Occurrence Download

description: A dataset containing 59 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Buddleja davidii",
 "HasCoordinate is true",
 "Country is Slovakia"
 ]
}

 The dataset includes 59 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050998-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.g6exys
title: Occurrence Download

description: A dataset containing 990 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Berberis sibirica",
 "HasCoordinate is true"
 ]
}

 The dataset includes 990 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0051000-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.15490007
title: Dataset for "Lead, Locked Away: Porous Zr-Phytate Coordination Polymer for Rapid and Selective Removal of Pb from Water"

description: Coordination polymers (CPs) often suffer from poor hydrolytic and chemical stability, limiting their use in water remediation. We report a highly robust, amorphous coordination polymer synthesized from Zr4+ and bio-available phytic acid, featuring stable Zr–O–P bonds that resist degradation even in 10 M HCl, HNO3, and H2SO4. The material forms a micro-mesoporous network under mild conditions in water and consists of mononuclear  ZrO6 units bridged by phosphate groups. Zr-Phytate exhibits excellent Pb2+ removal performance, maintaining high efficiency even in the presence of excess competing ions. Its exceptional chemical durability allows efficient regeneration using 1 M HCl, with no detectable leaching of Zr or phytic acid and no loss of structural integrity over multiple cycles. Compared to commercial ion-exchange resins, Zr-Phytate offers superior selectivity and reusability. This work demonstrates the importance of designing stable coordination polymers and highlights the promise of zirconium-phosphate networks for applications in water remediation.