cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7274/29551148
title: Molecular Origins of the Thermophysical Properties of Ionic Liquids in External Electric Fields

description: Advancements in chemical separation processes are essential to sustainably meet the growing demand for electronics. In particular, solvent design under external stimuli requires progress. Ionic liquids (ILs) offer an opportunity to investigate how external electric fields (EEFs) affect separation media. Their low volatility, high thermal stability, and tunable thermophysical properties make ILs attractive for sustainable separations. Moreover, their charged nature makes them ideal for probing the direct effects of EEFs on nanoscale dynamics and structure, which can in turn influence macroscopic properties. This dissertation establishes structure–property relationships for ILs under EEFs using molecular dynamics (MD) simulations. It demonstrates and quantifies for ILs electrostriction—the contraction or expansion of an IL under an applied field—for the first time. By linking the charge density and ion size of IL constituents to the electrostrictive coefficient, it provides new physical insights into IL molecular properties. Further, the molecular origins of IL thermophysical behavior in EEFs are explored by testing excess entropy scaling relationships. These relationships directly connect liquid structure to dynamic properties across multiple temperatures and field strengths, enabling predictions of how EEF-induced structural changes drive observed transport phenomena. The impact of EEFs on the glass transition temperature (Tg) of ILs is also investigated. An automated, objective MD-based method computes Tg and reveals that fields above a critical strength depress Tg during cooling. Analysis of liquid-phase dynamics and structure indicates that EEFs lower the activation energy for diffusion, reducing the energetic barrier for molecular motion and consequently lowering Tg. This effect is leveraged to propose an electrified non-vapor-compression refrigeration cycle. Finally, the dissertation develops a general automated approach for predicting Tg from MD simulations, offering a robust tool for materials design under external stimuli.
DOI: 10.7274/29551148.v1
title: Molecular Origins of the Thermophysical Properties of Ionic Liquids in External Electric Fields

description: Advancements in chemical separation processes are essential to sustainably meet the growing demand for electronics. In particular, solvent design under external stimuli requires progress. Ionic liquids (ILs) offer an opportunity to investigate how external electric fields (EEFs) affect separation media. Their low volatility, high thermal stability, and tunable thermophysical properties make ILs attractive for sustainable separations. Moreover, their charged nature makes them ideal for probing the direct effects of EEFs on nanoscale dynamics and structure, which can in turn influence macroscopic properties. This dissertation establishes structure–property relationships for ILs under EEFs using molecular dynamics (MD) simulations. It demonstrates and quantifies for ILs electrostriction—the contraction or expansion of an IL under an applied field—for the first time. By linking the charge density and ion size of IL constituents to the electrostrictive coefficient, it provides new physical insights into IL molecular properties. Further, the molecular origins of IL thermophysical behavior in EEFs are explored by testing excess entropy scaling relationships. These relationships directly connect liquid structure to dynamic properties across multiple temperatures and field strengths, enabling predictions of how EEF-induced structural changes drive observed transport phenomena. The impact of EEFs on the glass transition temperature (Tg) of ILs is also investigated. An automated, objective MD-based method computes Tg and reveals that fields above a critical strength depress Tg during cooling. Analysis of liquid-phase dynamics and structure indicates that EEFs lower the activation energy for diffusion, reducing the energetic barrier for molecular motion and consequently lowering Tg. This effect is leveraged to propose an electrified non-vapor-compression refrigeration cycle. Finally, the dissertation develops a general automated approach for predicting Tg from MD simulations, offering a robust tool for materials design under external stimuli.
DOI: 10.5519/8di5f3xy
title: John Chainey Lepidoptera Collection

description: The John Chainey Lepidoptera Collection comprises the records of all the pinned material donated by John Chainey to the Lepidoptera Collection at the Natural History Museum, London at the time of project completion (July 2025).

The John Chainey Lepidoptera Collection was digitised to improve access and support research into British and Irish Lepidoptera

Each specimen record has been published with an image capturing a dorsal view of the specimen and its associated labels, creating an inventory record with a unique identifier (Data Matrix barcode) taxon information, and location in the collection.

The data resource generated by the project is available using the Data and Resources link.
DOI: 10.15468/dl.k59v78
title: Occurrence Download

description: A dataset containing 33 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (Burundi, Rwanda, Kenya, Uganda, Tanzania, United Republic of, Eritrea, Sudan, South Sudan, Somalia, Djibouti, Ethiopia)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Solanum tuberosum"
 ]
}

 The dataset includes 33 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007360-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8e87pz
title: Occurrence Download

description: A dataset containing 9299 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Senna multijuga"
 ]
}

 The dataset includes 9299 records from 321 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007356-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yj8kac
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Elphidium crispum",
 "HasCoordinate is true",
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Specimen",
 "Year is greater than or equal to 2000",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007361-250717081556266/datasets/export for details.
DOI: 10.3535/360-s7x-hgg
title: Labiatae Juss.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.15468/dl.q53ufy
title: Occurrence Download

description: A dataset containing 3169 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Orthosporum rubrum blitoides, Papaver dubium austromoravicum, Papaver albiflorum austromoravicum, Papaver dubium albiflorum, Papaver maculosum austromoravicum, Polycnemum majus, Polycnemum arvense majus, Polycnemum arvense majus, Polycnemum arvense majus, Polycnemum arvense majus)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen, Machine Observation)"
 ]
 }
 },
 "Continent is Europe",
 "Year is greater than or equal to 1980",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 3169 records from 141 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007359-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.aj5scz
title: Occurrence Download

description: A dataset containing 1598 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Procambarus clarkii",
 "Country is Colombia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1598 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007362-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dchdf6
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Procambarus clarkii",
 "Country is Egypt",
 "HasCoordinate is true"
 ]
}

 The dataset includes 10 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007363-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5284/1011977
title: Wealden Houses Database

description: This database has been compiled using earlier lists and information from contributors, to provide a gazetteer of Wealden (or 'recessed-hall') houses. These are a distinctive medieval house type, characterised by having an open hall flanked by either one or two floored, jettied end bays, all under a single roof. Because the wall plate is aligned with the front walls of the end bay(s), it 'flies' over the hall, where it is usually braced from the corner posts of the end bays, giving the distinctive 'recessed' hall appearance. The term 'Wealden' apparently came into use among members of the Vernacular Architecture Group in the 1950s, reflecting the concentration of examples in the Kentish Weald. In all, almost 850 examples are known at present. The database provides information on the address, grid reference, state of preservation and source reference(s) for every entry, together with partial information about topographical setting and some structural features.
DOI: 10.15468/dl.9jfxxw
title: Occurrence Download

description: A dataset containing 34368802 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tracheophyta",
 "Country is Sweden",
 "HasCoordinate is true"
 ]
}

 The dataset includes 34368802 records from 287 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007328-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7274/29526521
title: Decoding T Cell Receptor Cross-Reactivity

description: Although specificity is considered a hallmark of adaptive immunity, the vast universe of potential peptides that can be presented by an MHC protein makes T cell and TCR cross-reactivity a necessity. It has been estimated that, for a functioning immune system, any individual TCR must be able to productively recognize at least one million different peptide-MHC complexes. TCR structural adaptability, the flexibility of the peptide and MHC, and molecular mimicry can all contribute to cross-reactivity. This complexity makes it difficult to predict the cross-reactivity of TCRs from structural (much less sequence) information. Access to more detailed data about what kind of ligands any individual TCR prefers and how this relates to structural and sequence data is needed to better understand cross-reactivity and specificity. 
Along with techniques such as yeast or mammalian cell display, combinatorial and positional scanning libraries (PSLs) can be used for investigating the peptides compatible with a given TCR. Analyzing results from co-culture experiments performed with positional scanning libraries allows for identification of amino acid substitutions in the peptide that are acceptable for a given TCR. Scoring these results allows for further investigation into more unique peptides that can be recognized. The recognition of a new index peptide can then be examined via another PSL. This analysis can be performed for multiple rounds, interrogating the landscape of possible peptides a given TCR can and cannot recognize. 
The results presented here underscore the effectiveness of this iterative extended PSL (ePSL) approach for mapping the cross-reactivity profiles of TCRs, enabling the identification of distinct peptides with substantial divergence from the cognate sequence. By applying the ePSL with structurally well-characterized systems, we can generate datasets indicating which peptides are and are not recognized that can be directly integrated with structural and biophysical analyses. This thorough approach enhances our understanding of TCR specificity and cross-reactivity and establishes a framework for future studies aimed at predicting TCR cross-reactivity and informing the rational design of TCR-based therapeutics.
DOI: 10.7274/29526521.v1
title: Decoding T Cell Receptor Cross-Reactivity

description: Although specificity is considered a hallmark of adaptive immunity, the vast universe of potential peptides that can be presented by an MHC protein makes T cell and TCR cross-reactivity a necessity. It has been estimated that, for a functioning immune system, any individual TCR must be able to productively recognize at least one million different peptide-MHC complexes. TCR structural adaptability, the flexibility of the peptide and MHC, and molecular mimicry can all contribute to cross-reactivity. This complexity makes it difficult to predict the cross-reactivity of TCRs from structural (much less sequence) information. Access to more detailed data about what kind of ligands any individual TCR prefers and how this relates to structural and sequence data is needed to better understand cross-reactivity and specificity. 
Along with techniques such as yeast or mammalian cell display, combinatorial and positional scanning libraries (PSLs) can be used for investigating the peptides compatible with a given TCR. Analyzing results from co-culture experiments performed with positional scanning libraries allows for identification of amino acid substitutions in the peptide that are acceptable for a given TCR. Scoring these results allows for further investigation into more unique peptides that can be recognized. The recognition of a new index peptide can then be examined via another PSL. This analysis can be performed for multiple rounds, interrogating the landscape of possible peptides a given TCR can and cannot recognize. 
The results presented here underscore the effectiveness of this iterative extended PSL (ePSL) approach for mapping the cross-reactivity profiles of TCRs, enabling the identification of distinct peptides with substantial divergence from the cognate sequence. By applying the ePSL with structurally well-characterized systems, we can generate datasets indicating which peptides are and are not recognized that can be directly integrated with structural and biophysical analyses. This thorough approach enhances our understanding of TCR specificity and cross-reactivity and establishes a framework for future studies aimed at predicting TCR cross-reactivity and informing the rational design of TCR-based therapeutics.
DOI: 10.5065/wmdz-3m88
title: ICARUS Chamber Experiment: Kroll Lab_20220523_Nitric Oxide/Acetonitrile/Dimethyl Disulfide/Nitrous Acid_Hydroxyl radical_Sodium nitrate

description: Goals: Measure product distribution from the oxidation of DMDS under high NOx conditions.Summary: DMDS oxidized using HONO as an oxidant precursor. This is "Experiment 6" in Goss and Kroll, ACP, 2023 (Submitted).Organization: Kroll Lab Lab Affiliation: Massachusetts Institute of Technology Chamber: Kroll main chamberExperiment Category: Gas phase chemical reaction, Aerosol formation Oxidant: Hydroxyl radical Reactants: Nitric Oxide, Acetonitrile, Dimethyl Disulfide, Nitrous Acid Reaction Type: Photooxidation Temperature: 20 Seed Name: Sodium nitrate
DOI: 10.15468/dl.r6sa24
title: Occurrence Download

description: A dataset containing 191920 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tracheophyta",
 "Country is Türkiye",
 "HasCoordinate is true"
 ]
}

 The dataset includes 191920 records from 237 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007337-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wqw5ma
title: Occurrence Download

description: A dataset containing 29 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Lepidium virginicum",
 "Country is Guatemala",
 "HasCoordinate is true"
 ]
}

 The dataset includes 29 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007364-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bf6a9q
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Trochammina inflata",
 "HasCoordinate is true",
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Specimen",
 "Year is greater than or equal to 2000",
 "Year is less than or equal to 2024"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007366-250717081556266/datasets/export for details.
DOI: 10.15468/dl.nrs3dn
title: Occurrence Download

description: A dataset containing 61316 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Monoraphidium"
 ]
}

 The dataset includes 61316 records from 243 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007267-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zrtchq
title: Occurrence Download

description: A dataset containing 91 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Plethodon savannah)"
 ]
}

 The dataset includes 91 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007367-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7wv37r
title: Occurrence Download

description: A dataset containing 22044 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Procambarus clarkii",
 "Country is France",
 "HasCoordinate is true"
 ]
}

 The dataset includes 22044 records from 409 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007365-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2q3rcz
title: CCDC 2506051: Experimental Crystal Structure Determination

description: Related Article: Sarbojit  Das|2025|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: 10.5517/ccdc.csd.cc2q3rd0
title: CCDC 2506052: Experimental Crystal Structure Determination

description: Related Article: Sarbojit  Das|2025|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: 10.5281/zenodo.15253213
title: Dataset for paper 'Effects of strong diffusion and wave ducting on electron losses estimated by the quasi-linear approach'

description: This file contains the dataset to plot the Figures 1 - 5 for the paper 'Effects of strong diffusion and wave ducting on electron losses estimated by the quasi-linear approach'.
DOI: 10.5281/zenodo.15253214
title: Dataset for paper 'Effects of strong diffusion and wave ducting on electron losses estimated by the quasi-linear approach'

description: This file contains the dataset to plot the Figures 1 - 5 for the paper 'Effects of strong diffusion and wave ducting on electron losses estimated by the quasi-linear approach'.
DOI: 10.25549/klein-ouc1sto1813069
title: 5. Richard Nixon's presidency, 1963-1980

description: The Herbert G. Klein papers contain detailed records of the day to day activities of Herbert G. Klein, University of Southern California alumnus and trustee, journalist, editor and first White House Director of Communications. Included are records from all phases of Klein's long career: his early career as a journalist with Copley Newspapers in Alhambra and San Diego; his work with Richard Nixon, beginning with the Vice Presidential campaign of 1956; and his subsequent career as a media professional and author. A Finding Aid for the Herbert G. Klein papers is available (https://archives.usc.edu/repositories/3/resources/346). The collection was donated to the University of Southern California by the Klein family in 2008.
DOI: 10.15468/dl.gpucmn
title: Occurrence Download

description: A dataset containing 63 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pleione maculata"
 ]
}

 The dataset includes 63 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022764-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/klein-ouc1sto1813065
title: 5. Richard Nixon's presidency, 1963-1980

description: The Herbert G. Klein papers contain detailed records of the day to day activities of Herbert G. Klein, University of Southern California alumnus and trustee, journalist, editor and first White House Director of Communications. Included are records from all phases of Klein's long career: his early career as a journalist with Copley Newspapers in Alhambra and San Diego; his work with Richard Nixon, beginning with the Vice Presidential campaign of 1956; and his subsequent career as a media professional and author. A Finding Aid for the Herbert G. Klein papers is available (https://archives.usc.edu/repositories/3/resources/346). The collection was donated to the University of Southern California by the Klein family in 2008.
DOI: 10.25549/klein-ouc1sto1815527
title: 5. Richard Nixon's presidency, 1963-1980

description: The Herbert G. Klein papers contain detailed records of the day to day activities of Herbert G. Klein, University of Southern California alumnus and trustee, journalist, editor and first White House Director of Communications. Included are records from all phases of Klein's long career: his early career as a journalist with Copley Newspapers in Alhambra and San Diego; his work with Richard Nixon, beginning with the Vice Presidential campaign of 1956; and his subsequent career as a media professional and author. A Finding Aid for the Herbert G. Klein papers is available (https://archives.usc.edu/repositories/3/resources/346). The collection was donated to the University of Southern California by the Klein family in 2008.