cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2jgx42
title: CCDC 2338024: Experimental Crystal Structure Determination

description: Related Article: Raffaella Mancuso, Patrizio Russo, Mario Prejanò, Antonio Plaumbo Piccionello, Corrado Cuocci, Tiziana Marino, Bartolo Gabriele|2024|J.Catalysis|437|115659|doi:10.1016/j.jcat.2024.115659
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.cc2jhz78
title: CCDC 2339050: Experimental Crystal Structure Determination

description: Related Article: Raffaella Mancuso, Patrizio Russo, Mario Prejanò, Antonio Plaumbo Piccionello, Corrado Cuocci, Tiziana Marino, Bartolo Gabriele|2024|J.Catalysis|437|115659|doi:10.1016/j.jcat.2024.115659
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.cc2jjwml
title: CCDC 2339930: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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.cc2jjwnm
title: CCDC 2339931: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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.cc2jjwpn
title: CCDC 2339932: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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: 10.5061/dryad.88tj450
title: Data from: The evolutionary origins of the cat attractant nepetalactone in catnip

description: Catnip or catmint (Nepeta spp.) is a flowering plant in the mint family
 (Lamiaceae) famed for its ability to attract cats. This phenomenon is
 caused by the compound nepetalactone, a volatile iridoid that also repels
 insects. Iridoids are present in many Lamiaceae species but were lost in
 the ancestor of the Nepetoideae, the subfamily containing Nepeta. Using
 comparative genomics, ancestral sequence reconstructions, and phylogenetic
 analyses, we probed the re-emergence of iridoid biosynthesis in Nepeta.
 The results of these investigations revealed mechanisms for the loss and
 subsequent re-evolution of iridoid biosynthesis in the Nepeta lineage. We
 present evidence for a chronology of events that led to the formation of
 nepetalactone biosynthesis and its metabolic gene cluster. This study
 provides insights into the interplay between enzyme and genome evolution
 in the origins, loss, and re-emergence of plant chemical diversity.
DOI: 10.5517/ccdc.csd.cc2jjwqp
title: CCDC 2339933: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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.cc2jjwrq
title: CCDC 2339934: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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.cc2jjwsr
title: CCDC 2339935: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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.cc2jjwts
title: CCDC 2339936: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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.cc2jjwvt
title: CCDC 2339937: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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.cc2jjwwv
title: CCDC 2339938: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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.cc2jjwxw
title: CCDC 2339939: Experimental Crystal Structure Determination

description: Related Article: Volodymyr Ahunovych, Anton A. Klipkov, Maksym Bugera, Karen Tarasenko, Serhii Trofymchuk, Bohdan Razhyk, Andrii Boretskyi, Oleh Stanko, Yaroslav Panasiuk, Oleh Shablykin, Galeb Al-Maali, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Kateryna Horbatok, Iryna Bodenchuk, Viktoriia Kosach, Petro Borysko, Vladimir Kubyshkin, Pavel K. Mykhailiuk |2024|JACS Au|4|4507|doi:10.1021/jacsau.4c00864
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.cc2jwp6b
title: CCDC 2350302: Experimental Crystal Structure Determination

description: Related Article: Davide Ruggeri, Matteo Hoch, Davide Spataro, Luciano Marchiò, Stefano Protti, Daniele Cauzzi, Matteo Tegoni, Matteo Lanzi, Giovanni Maestri|2025|Chem.-Eur.J.|31|e202403309|doi:10.1002/chem.202403309
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.cc2kbb7h
title: CCDC 2363416: Experimental Crystal Structure Determination

description: Related Article: Canh Dinh Le, Minh Tuan Hoang, Hoang Phuc Nguyen, Van Ha Nguyen, Chien Thang Pham|2025|Vietnam J. Chem.|63|730|doi:10.1002/vjch.70009
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: 10.5061/dryad.bs2gh38
title: Data from: A topoclimate model for Quaternary insular speciation

description: Aim. Understanding speciation as a process on islands, particularly
 speciation within individual islands, is key to explain the high levels of
 invertebrate speciation that characterise many oceanic islands and
 archipelagos. Here we propose an insular topoclimate model for Quaternary
 diversification (ITQD), and test the general prediction that, within a
 radially eroded conical island, within glacial climate conditions
 facilitate the divergence of populations within species across valleys.
 Location. Gran Canaria, Canary Islands. Taxon. The Laparocerus tessellatus
 beetle species complex (Coleoptera, Curculionidae). Methods. We
 characterise individual-level genomic relationships using single
 nucleotide polymorphisms produced by double-digest restriction site
 associated DNA sequencing (ddRAD-seq). A range of parameter values were
 explored in order to filter our data. We assess individual relatedness,
 species boundaries, demographic history and spatial patterns of
 connectivity. Results. The total number of ddRAD-seq loci per sample
 ranges from 4576 to 512, with 11.12% and 4.84% of missing data
 respectively, depending on the filtering parameter combination. We
 consistently infer four genetically distinct ancestral populations and two
 presumed cases of admixture, one of which is largely restricted to high
 altitudes. Bayes factor delimitation support the hypothesis of four
 species, which is consistent with the four inferred ancestral gene pools.
 Landscape resistance analyses identified genomic relatedness among
 individuals in two out of the four inferred species to be best explained
 by annual precipitation during the last glacial maximum rather than
 geographic distance. Main conclusions. Our data reveal a complex
 speciation history involving population isolation and admixture, with
 broad support for the ITQD model here proposed. We suggest that further
 studies are needed to test the generality of our model, and enrich our
 understanding of the evolutionary process in island invertebrates. Our
 results demonstrate the power of ddRAD-seq data to provide a detailed
 understanding of the temporal and spatial dynamics of insular
 biodiversity.
description: RAD-seq filtered
 genotypesRAD-seq filtered
 genotypes of both parameter combinationsRAD-seq Filtered
 Genotypes.zipSplitsTree
 analysisSplitsTree input
 fileSplitsTree_input.zipsNMF analysissNMF input file R (LEA)sNMF_input.zipPCA analysisPCA input file R (Adegenet)PCA_input.zipArlequin analysisArlequin input fileArlequin_inputs.zipBFD analysisBFD input file (Beast, SNAPP)BFD_inputs.zip
DOI: 10.5517/ccdc.csd.cc2kbb8j
title: CCDC 2363417: Experimental Crystal Structure Determination

description: Related Article: Canh Dinh Le, Minh Tuan Hoang, Hoang Phuc Nguyen, Van Ha Nguyen, Chien Thang Pham|2025|Vietnam J. Chem.|63|730|doi:10.1002/vjch.70009
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.cc2ktnpr
title: CCDC 2378155: Experimental Crystal Structure Determination

description: Related Article: Nitin Shukla, Virjesh Singhmar, Juhi Sayala, Ashis K. Patra |2025|Inorg.Chem.|64|1287|doi:10.1021/acs.inorgchem.4c03955
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.cc2hyqz5
title: CCDC 2322488: Experimental Crystal Structure Determination

description: Related Article: Yufei Wang, Tianrui Liu, Siqi Yu, Rengan Luo, Songsong Bao, Jie Wu, Huangxian Ju, Zhihui Dai, Jianping Lei|2025|Angew.Chem.,Int.Ed.|64|e202501151|doi:10.1002/anie.202501151
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.cc2m3kt4
title: CCDC 2416506: Experimental Crystal Structure Determination

description: Related Article: Rita Butkute, Steponas Raisys, Tomas Serevicius, Viktorija Andruleviciene, Aliyu Mahomed Hamisu, Gediminas Kreiza, Juozas V. Grazulevicius, Saulius Jursenas|2025|ACS Appl. Elect. Mater.|7|2339|doi:10.1021/acsaelm.4c02148
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.cc2m3kx7
title: CCDC 2416509: Experimental Crystal Structure Determination

description: Related Article: Rita Butkute, Steponas Raisys, Tomas Serevicius, Viktorija Andruleviciene, Aliyu Mahomed Hamisu, Gediminas Kreiza, Juozas V. Grazulevicius, Saulius Jursenas|2025|ACS Appl. Elect. Mater.|7|2339|doi:10.1021/acsaelm.4c02148
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.cc2hyghf
title: CCDC 2322225: Experimental Crystal Structure Determination

description: Related Article: Yufei Wang, Tianrui Liu, Siqi Yu, Rengan Luo, Songsong Bao, Jie Wu, Huangxian Ju, Zhihui Dai, Jianping Lei|2025|Angew.Chem.,Int.Ed.|64|e202501151|doi:10.1002/anie.202501151
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: 10.5061/dryad.jq05h33
title: Data from: Mapping Tasmania's cultural landscapes: using habitat suitability modelling of archaeological sites as a landscape history tool

description: Aim: Understanding past distributions of people across the landscape is
 key to understanding how people used, affected and related to the natural
 environment. Here we use habitat suitability modelling to represent the
 landscape distribution of Tasmanian Aboriginal archaeological sites and
 assess the implications for patterns of past human activity. Location:
 Tasmania, Australia Methods: We developed a RandomForest ‘habitat
 suitability' model of site records in the Tasmanian Aboriginal
 Heritage Register. We applied a best-effort bias correction, considered 31
 predictor variables relating to climate, topography and resource
 proximity, and used a variable selection procedure to optimise the final
 model. Model uncertainty was assessed via bootstrapping and we ran an
 analogous MAXENT model as a cross-validation exercise. Results: The
 results from the RandomForest and MAXENT models are highly congruent. The
 strongest environmental predictors of site occurrence include distance to
 coast, elevation, soil clay content, topographic roughness and distance to
 inland water. The highest habitat suitability scores are distributed
 across a wide range of environments in central, northern and eastern
 Tasmania, including coastal areas, inland water body margins, and forests
 and savannas in the drier parts of Tasmania. With the exception of coastal
 areas much of western Tasmania has low habitat suitability scores,
 consistent with theories of low-density Holocene Tasmanian Aboriginal
 settlement in this region. Main conclusions: Our modelling suggests
 Tasmanian Aboriginal people occupied a heterogeneity of habitats but
 targeted coastal areas around the whole island, and drier, less steep,
 and/or open forest and savanna environments in the central lowlands. The
 western interior was identified as being rarely used by Aboriginal people
 in the Holocene, with the exception of isolated pockets of habitat; yet
 whether this is a true reflection of Aboriginal resource use demands
 increased archaeological surveys, particularly in the Tasmanian Wilderness
 World Heritage Area.
description: READMEJones_et_al_Tasmania_cultural_landscapes_README.txtRaw MaxEnt model output scoreGeoTIFF file covering the landmass of Tasmania at a resolution of 66m, representing the raw MaxEnt model output score for a model prediciting Indigenous artifact presence.me_full_raw.tifRandomForest model output probabilityGeoTIFF file covering the landmass of Tasmania at a resolution of 66m, representing the RandomForest model output probability for a model prediciting Indigenous artifact presence.rf_output_prob_nowater.tif
DOI: 10.25338/b8p313
title: Sociodemographic data for battery electric vehicle owning households in California (From NCST Project "Understanding the Early Adopters of Fuel Cell Vehicles")

description: Sociodemographic data for fuel cell and battery electric vehicle owning
 households in California
DOI: 10.6071/m33t08
title: Stochastic Persistence in Nucleated Polymerization Model

description: The code in this repository was created by Dr. Jason K. Dark in completing
 his PhD at the University of California, Merced. The stochastic model of
 prion persistence is detailed in Chapter 3 of his Dissertation which is
 available at the following link: https://escholarship.org/uc/item/8tq2w26b
 Questions should be emailed to: Prof Suzanne Sindi (ssindi@ucmerced.edu)