cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2dnksf
title: CCDC 2224305: Experimental Crystal Structure Determination

description: Related Article: Yarden Lavi, Michael Montag, Yael Diskin-Posner, Liat Avram, Linda J.W. Shimon, Yehoshua Ben-David, David Milstein|2023|Inorg.Chim.Acta|559|121787|doi:10.1016/j.ica.2023.121787
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/t62-nxn-r5h
title: Caecum donmoorei Mitchell-Tapping, 1979

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/zrk-81j-hmq
title: Circulus angulatus (A. Adams, 1850)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2fdxvm
title: CCDC 2246751: Experimental Crystal Structure Determination

description: Related Article: Yanwei Wang|2024|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.3535/fya-q3a-nst
title: Rhinoclavis aspera (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ygk-44d-c3n
title: Erronea caurica dracaena (Born, 1778)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g1961
title: CCDC 2265362: Experimental Crystal Structure Determination

description: Related Article: You-Song Ding, Xue-Lian Jiang, Lei Li, Cong-Qiao Xu, Jun Li, Zhiping Zheng |2024|Nat. Synth.|3|655|doi:10.1038/s44160-024-00511-x
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.cc2hhvrm
title: CCDC 2309151: Experimental Crystal Structure Determination

description: Related Article: Hugh J. Sanderson, Gabriele Kociok-Köhn, Claire L. McMullin, Ulrich Hintermair|2024|Dalton Trans.|53|5881|doi:10.1039/D3DT04325H
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: 10.3535/63e-t37-gv4
title: Lacuna pallidula (da Costa, 1778)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/p1g-y5t-v94
title: Sulfurina parva (G. B. Sowerby II, 1842)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g1972
title: CCDC 2265363: Experimental Crystal Structure Determination

description: Related Article: You-Song Ding, Xue-Lian Jiang, Lei Li, Cong-Qiao Xu, Jun Li, Zhiping Zheng |2024|Nat. Synth.|3|655|doi:10.1038/s44160-024-00511-x
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.cc2g1983
title: CCDC 2265364: Experimental Crystal Structure Determination

description: Related Article: You-Song Ding, Xue-Lian Jiang, Lei Li, Cong-Qiao Xu, Jun Li, Zhiping Zheng |2024|Nat. Synth.|3|655|doi:10.1038/s44160-024-00511-x
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/ddb-8vx-ww4
title: Trachycardium isocardia (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2g19b5
title: CCDC 2265366: Experimental Crystal Structure Determination

description: Related Article: You-Song Ding, Xue-Lian Jiang, Lei Li, Cong-Qiao Xu, Jun Li, Zhiping Zheng |2024|Nat. Synth.|3|655|doi:10.1038/s44160-024-00511-x
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.cc2g19c6
title: CCDC 2265367: Experimental Crystal Structure Determination

description: Related Article: You-Song Ding, Xue-Lian Jiang, Lei Li, Cong-Qiao Xu, Jun Li, Zhiping Zheng |2024|Nat. Synth.|3|655|doi:10.1038/s44160-024-00511-x
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/awr-k5k-3gs
title: Diacria trispinosa (Blainville, 1821)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/sxy-mpn-78m
title: Cerithium gallapaginis A. Adams, 1855

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/b62-vfc-g9p
title: Metaxia Monterosato, 1884

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/cfr-v5t-e75
title: Styliola subula (Quoy & Gaimard, 1827)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ar4-1z8-s00
title: Turbonilla Risso, 1826

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2kmrlk
title: CCDC 2372479: Experimental Crystal Structure Determination

description: Related Article: Juan Cayuela-Castillo, Francisco J. Fernández-de-Córdova, Matthew S. See, Israel Fernández, Pablo Ríos|2025|Chemical Science|16|4684|doi:10.1039/D4SC08227C
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: 10.3535/059-s5l-qsz
title: Littoraria scabra (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/9bs-d6m-9w2
title: Isabellaria saxicola saxicola (L. Pfeiffer, 1848)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/ccdc.csd.cc2l2cnq
title: CCDC 2385563: Experimental Crystal Structure Determination

description: Related Article: Tianyu Li, Dajiang Huang, Miaomiao Zhu, Junnian Wei, Wen-Xiong Zhang|2025|Inorg.Chem.Front.|12|3791|doi:10.1039/D5QI00390C
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.cc2m6376
title: CCDC 2418937: Experimental Crystal Structure Determination

description: Related Article: Nils Ansmann, Jakob H. Alberts, Finn Hagen, Immanuel E. Blaum, Lutz Greb|2025|Inorg.Chem.|64|6688|doi:10.1021/acs.inorgchem.5c00368
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: 10.3535/5d5-7x3-3t6
title: Vexillum hendersoni (Dall, 1927)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/bv8-gky-zn9
title: Planorbis O. F. Müller, 1773

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/xlx-64q-bsf
title: Truncatellina cylindrica (A. Férussac, 1807)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/rgj-cel-84c
title: Sphyradium doliolum (Bruguière, 1792)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/w35-hpb-gmt
title: Charpentieria itala albopustulata (De Cristofori & Jan, 1832)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/hnk-1kk-q7p
title: Medora lesinensis (Küster, 1847)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/2dm-47j-g9b
title: Cochlodina kuesteri kuesteri (Rossmässler, 1836)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/rxw-9jg-76j
title: Pardalinops testudinarius (Link, 1807)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/j7k-0jt-h3t
title: Cystiscidae W. Stimpson, 1865

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/r5k-8az-3wt
title: Triptychus niveus (Mörch, 1875)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/615-05j-mnm
title: Turbonilla beddomei (Petterd, 1884)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.18150/yzzz09
title: Two- and Three-Layered Composite Scintillators Based on the Ce3+- Doped GAGG and TbAG Garnets for the Simultaneous Registration of Various Types of Ionizing Radiation

description: This work presents our most recent results in the development of composite scintillators using Liquid Phase Epitaxy growth method, based on the single crystalline films and single crystals of garnet compounds for radiation monitoring of different components of mixed ionization radiation fluxes. Such composite scintillators present two and three layered epitaxial structures consisting of two single crystalline films of Ce3+ doped garnets, namely Gd3Al5-xGaxO12:Ce garnet with Ga content x=1.75–2.25 as a first film layer and Tb3Al5O12:Ce garnet as a second film layer. As substrates, the Gd3Al5-xGaxO12:Ce single crystals with fixed Ga concentration x=2.3, 2.5 and 3.0 were used. For estimation of scintillation properties of the respective epitaxial structures (pulse height spectra, light yield and scintillation decay kinetics) we have used three types of ionizing radiation: α–particles (239Pu), β-particles (90Sr + 90Y) and γ–quanta (137Cs).
DOI: 10.3535/p9m-qbs-cat
title: Abida secale (Draparnaud, 1801)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/wba-ltk-rx1
title: Conus arcuatus Broderip & G. B. Sowerby I, 1829

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/1zw-apr-38w
title: Seminella peasei (E. von Martens & Langkavel, 1871)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/mtl-0pw-be5
title: Cardita variegata Bruguière, 1792

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/19z-1v6-6ab
title: Rhombinella laevigata (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/a4a-bgh-ge8
title: Columbella rustica (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/elh-8s2-y90
title: Jaspidella jaspidea (Gmelin, 1791)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/p27-exc-wqs
title: Cochlodina orthostoma (Menke, 1828)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/zlw-kxt-4jt
title: Turbinella pyrum (Linnaeus, 1767)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.26190/unsworks/31135
title: Supplementary Data: Insights into the Defluorination of PFAS from Quantum Chemical Calculations and Machine Learning

description: This dataset accompanies the thesis titled "Insights into the Defluorination of PFAS from Quantum Chemical Calculations and Machine Learning." The thesis examines the use of computational chemistry methods and machine learning to accurately predict the C-F bond dissociation energies of per- and polyfluoroalkyl substances (PFAS). This dataset includes all optimised molecular structures and machine learning input data that were used to generate the figures, graphs, and quantitative analyses presented in the thesis. Specifically, optimised molecular structures are presented as XYZ coordinates obtained from quantum chemical calculations, and machine learning input data are presented as comma-separated values of numerical descriptors, string-representation of PFAS, and C-F bond dissociation energies. Files are separated based on their relevance to the discussion in each chapter of the thesis. Data contained in ch5_energies.tgz is reprinted with permission from J. Phys. Chem. A 2023, 127, 38, 7943–7953. Copyright 2023 American Chemical Society. Data provided in the remaining files are first published here.
description: The computational methodology used to obtain optimised molecular structures are detailed in each sub-directory. These methods include the wavefunction method (RIJCOSX RI-MP2/aug-cc-pVTZ), density functionals (B3LYP-D3(BJ), M06-2X, wB97X-D used in conjunction with double and triple zeta basis sets), 3c methods (r2SCAN-3c, B97-3c, PBEh-3c, and HF-3c), semiempirical methods (GFN2-xTB, DFTB3), and force fields (MMFF94 and GFN-FF). XYZ coordinates of the optimised geometries are separated and named with the method that was used to obtain them. Further details can be found in the README files that accompany the dataset. Numerical descriptors and calculated C-F bond energies used for machine learning were obtained from the chemical structure and density functional theory calculations of PFAS at the M06-2X/aug-cc-pVTZ level of theory.
DOI: 10.3535/m89-vvg-df3
title: Raphitoma Bellardi, 1847

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/qby-q6h-nlp
title: Marginellidae J. Fleming, 1828

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/1h9-tcs-e5l
title: Conus aurantius Hwass, 1792

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/k3r-wxx-pae
title: Pupilla alpicola (Charpentier, 1837)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/nfz-fye-mzs
title: Odostomia J. Fleming, 1813

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/9mg-rrx-lx1
title: Cima cylindrica (Jeffreys, 1856)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/dsq-tf3-2lg
title: Vexillum melongena (Lamarck, 1811)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/r5h-wks-sja
title: Bulla striata Bruguière, 1792

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/g0r-pb5-dh5
title: Zebrina detrita (O. F. Müller, 1774)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/vgj-4nx-wrd
title: Papillifera solida (Draparnaud, 1805)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/6zc-4lg-wm2
title: Gastrocopta armifera (Say, 1821)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ym9-sr5-7sh
title: Pupa affinis (A. Adams, 1855)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/7nb-g59-4ww
title: Iniforis turristhomae (Holten, 1802)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.15468/dl.su9d2t
title: Occurrence Download

description: A dataset containing 6060892 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mareca strepera",
 "HasCoordinate is true",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 6060892 records from 1505 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006630-250811113504898/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/vbkchx56cw
title: Current Perspectives of Nanomaterials in Wastewater Treatment for Sustainable Environment

description: Nanotechnology is becoming an indispensable component of the Sustain
able Development Goals (SDGs), particularly in the areas of environmental preserva
tion and circular economy. Several anthropogenic activity-induced issues, like pollu
tion, biodiversity loss, climate change, etc., have posed challenges in achieving these 
goals by 2030. Nanotechnology holds significant implications for global sustain
ability endeavors as evident from its presence in numerous scientific domains, 
including engineering, medicinal science, energy, and the environment. Green 
nanotechnology offers an interesting avenue for the synthesis of safe and cost
effective nano-materials/particles with requisite specification. Green synthesis of 
nanomaterials (NMs) employs bio-resources such as bacteria, fungi, herbs, and 
agricultural residues, which lowers the synthesis process’ carbon footprint. This 
chapter discusses the green nanotechnology-enabled solutions for wastewater treat
ment under the ambit of SDG-goal 6 “clean water and sanitation.” We also talk about potential green NMs, their characteristics and mechanisms for wastewater manage
ment applications, benefits and drawbacks in comparison with current methods, and 
the challenges and future scope of research activities.
DOI: 10.17632/vbkchx56cw.1
title: Current Perspectives of Nanomaterials in Wastewater Treatment for Sustainable Environment

description: Nanotechnology is becoming an indispensable component of the Sustain
able Development Goals (SDGs), particularly in the areas of environmental preserva
tion and circular economy. Several anthropogenic activity-induced issues, like pollu
tion, biodiversity loss, climate change, etc., have posed challenges in achieving these 
goals by 2030. Nanotechnology holds significant implications for global sustain
ability endeavors as evident from its presence in numerous scientific domains, 
including engineering, medicinal science, energy, and the environment. Green 
nanotechnology offers an interesting avenue for the synthesis of safe and cost
effective nano-materials/particles with requisite specification. Green synthesis of 
nanomaterials (NMs) employs bio-resources such as bacteria, fungi, herbs, and 
agricultural residues, which lowers the synthesis process’ carbon footprint. This 
chapter discusses the green nanotechnology-enabled solutions for wastewater treat
ment under the ambit of SDG-goal 6 “clean water and sanitation.” We also talk about potential green NMs, their characteristics and mechanisms for wastewater manage
ment applications, benefits and drawbacks in comparison with current methods, and 
the challenges and future scope of research activities.
DOI: 10.17632/x8sb9s6svt
title: Trichoderma a Holistic Fungus with Biocontrol Potential for Agricultural Diseases

description: Trichoderma is a genus, belonging to the division Ascomycota (Sordari
omycetes, Hypocreales, Hypocreaceae) that have been popularly used as a biocon
trol agent in agriculture because of their ability to interact and antagonize 
phytopathogenic organisms such as bacteria, fungi, nematodes, and oomycetes. 
Trichoderma can easily be isolated from natural soil, dead and decaying plant organic 
matter, and wood and are classified as imperfect fungi. Production of antibiotics, competition for nutrients, and parasitism are considered as direct antagonistic mech
anisms of Trichoderma during microbe-pathogen interactions. The production of 
secondary metabolites as well as the secretion of hydrolytic cell wall degrading 
enzymes also plays inevitable roles during microbial antagonism. The indirect mech
anisms involve the interaction between Trichoderma with host plants. Working as a 
plant growth promoter, inducing systemic resistance against biotic and abiotic stres
sors, and enhancing the uptake of nutrients are other beneficial roles exhibited by 
Trichoderma during plant–microbe interactions. The current chapter is intended to 
discuss in detail on the mechanisms of Trichoderma-mediated management of plant 
pathogenesis. The knowledge and understanding on the tripartite symbiotic inter
action between Trichoderma with other beneficial plant microorganisms and host 
plants would explore new avenues for improving sustainable agriculture.