cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/wstrhgovaouojw-cskarukusa-n.1
title: (1E)-3-phenylpropanal oxime
title: InChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+, and canonical SMILES descriptor[cheminf_000007]: O/N=C/CCc1ccccc1, and by the IUPAC name[cheminf_000107]: (NE)-N-(3-phenylpropylidene)hydroxylamine.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-56900

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/wstrhgovaouojw-cskarukusa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ((NE)-N-(3-phenylpropylidene)hydroxylamine)
title: InChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/zhxyvobalgqtsj-jxmrogbwsa-n.1
title: C9H7NO
title: InChI=1S/C9H7NO/c1-2-8-3-5-9(6-4-8)7-10-11/h1,3-7,11H/b10-7+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C9H7NO/c1-2-8-3-5-9(6-4-8)7-10-11/h1,3-7,11H/b10-7+, and canonical SMILES descriptor[cheminf_000007]: O/N=C/c1ccc(cc1)C#C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-56880

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/zhxyvobalgqtsj-jxmrogbwsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C9H7NO/c1-2-8-3-5-9(6-4-8)7-10-11/h1,3-7,11H/b10-7+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/zhxyvobalgqtsj-jxmrogbwsa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/C9H7NO/c1-2-8-3-5-9(6-4-8)7-10-11/h1,3-7,11H/b10-7+

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/zhxyvobalgqtsj-jxmrogbwsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C9H7NO/c1-2-8-3-5-9(6-4-8)7-10-11/h1,3-7,11H/b10-7+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.15468/dl.muu7wu
title: Occurrence Download

description: A dataset containing 456 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Anadenanthera macrocarpa"
 ]
}

 The dataset includes 456 records from 52 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013033-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4brh5v
title: Occurrence Download

description: A dataset containing 34110 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Austropotamobius pallipes",
 "Year 2000-2025"
 ]
}

 The dataset includes 34110 records from 246 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013032-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.23729/fd-1288ad28-48a2-3e2d-81f5-fd48eb8c7e32
title: Digital Humanities Hackathon 2023 Interactional dynamics of online discussion data

description: Data for the group "Interactional dynamics of online discussion" for DHH 23. See:

* https://www.helsinki.fi/en/digital-humanities/dhh23-hackathon/dhh23-themes#interactional-dynamics-of-online-discussion
* https://www.helsinki.fi/assets/drupal/2023-06/dhh23-disc-poster-comp1.pdf
DOI: 10.14272/palbvjicmhvxgb-yrnvussqsa-n.1
title: C10H11N3O4
title: InChI=1S/C10H11N3O4/c1-12(2)10(14)17-11-7-8-4-3-5-9(6-8)13(15)16/h3-7H,1-2H3/b11-7+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C10H11N3O4/c1-12(2)10(14)17-11-7-8-4-3-5-9(6-8)13(15)16/h3-7H,1-2H3/b11-7+, and canonical SMILES descriptor[cheminf_000007]: O=C(N(C)C)O/N=C/c1cccc(c1)[N+](=O)[O-], and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-56895

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/palbvjicmhvxgb-yrnvussqsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C10H11N3O4/c1-12(2)10(14)17-11-7-8-4-3-5-9(6-8)13(15)16/h3-7H,1-2H3/b11-7+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/palbvjicmhvxgb-yrnvussqsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C10H11N3O4/c1-12(2)10(14)17-11-7-8-4-3-5-9(6-8)13(15)16/h3-7H,1-2H3/b11-7+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/palbvjicmhvxgb-yrnvussqsa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/C10H11N3O4/c1-12(2)10(14)17-11-7-8-4-3-5-9(6-8)13(15)16/h3-7H,1-2H3/b11-7+

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/gqmmrlbwxcgbev-vmpitwqzsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ((NE)-N-[(3-nitrophenyl)methylidene]hydroxylamine)
title: InChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H/b8-5+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/gqmmrlbwxcgbev-vmpitwqzsa-n.1
title: (1E)-3-nitrobenzaldehyde oxime
title: InChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H/b8-5+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H/b8-5+, and canonical SMILES descriptor[cheminf_000007]: O/N=C/c1cccc(c1)[N+](=O)[O-], and by the IUPAC name[cheminf_000107]: (NE)-N-[(3-nitrophenyl)methylidene]hydroxylamine.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-56890

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/gqmmrlbwxcgbev-vmpitwqzsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ((NE)-N-[(3-nitrophenyl)methylidene]hydroxylamine)
title: InChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H/b8-5+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/gqmmrlbwxcgbev-vmpitwqzsa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ((NE)-N-[(3-nitrophenyl)methylidene]hydroxylamine)
title: InChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H/b8-5+

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/bijwbgujdosoah-ukthltgxsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C12H12N2O2/c1-4-10-5-7-11(8-6-10)9-13-16-12(15)14(2)3/h1,5-9H,2-3H3/b13-9+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/bijwbgujdosoah-ukthltgxsa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/C12H12N2O2/c1-4-10-5-7-11(8-6-10)9-13-16-12(15)14(2)3/h1,5-9H,2-3H3/b13-9+

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/bijwbgujdosoah-ukthltgxsa-n.1
title: C12H12N2O2
title: InChI=1S/C12H12N2O2/c1-4-10-5-7-11(8-6-10)9-13-16-12(15)14(2)3/h1,5-9H,2-3H3/b13-9+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C12H12N2O2/c1-4-10-5-7-11(8-6-10)9-13-16-12(15)14(2)3/h1,5-9H,2-3H3/b13-9+, and canonical SMILES descriptor[cheminf_000007]: CN(C(=O)O/N=C/c1ccc(cc1)C#C)C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-56885

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/bijwbgujdosoah-ukthltgxsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C12H12N2O2/c1-4-10-5-7-11(8-6-10)9-13-16-12(15)14(2)3/h1,5-9H,2-3H3/b13-9+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/vtwkxbjhbhyjbi-sofgywhqsa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ((NE)-N-benzylidenehydroxylamine)
title: InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/vtwkxbjhbhyjbi-sofgywhqsa-n.1
title: (E)-benzaldehyde oxime
title: InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+, and canonical SMILES descriptor[cheminf_000007]: O/N=C/c1ccccc1, and by the IUPAC name[cheminf_000107]: (NE)-N-benzylidenehydroxylamine.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-56801

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.15468/dl.5pts5h
title: Occurrence Download

description: A dataset containing 776 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Cambodia",
 "Year is 2021",
 "InstitutionCode is iNaturalist"
 ]
}

 The dataset includes 776 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013035-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/vtwkxbjhbhyjbi-sofgywhqsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ((NE)-N-benzylidenehydroxylamine)
title: InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/vtwkxbjhbhyjbi-sofgywhqsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ((NE)-N-benzylidenehydroxylamine)
title: InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jfdjxxrthctume-dhzhzojosa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C10H12N2O2/c1-12(2)10(13)14-11-8-9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jfdjxxrthctume-dhzhzojosa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/C10H12N2O2/c1-12(2)10(13)14-11-8-9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/jfdjxxrthctume-dhzhzojosa-n.1
title: C10H12N2O2
title: InChI=1S/C10H12N2O2/c1-12(2)10(13)14-11-8-9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C10H12N2O2/c1-12(2)10(13)14-11-8-9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+, and canonical SMILES descriptor[cheminf_000007]: CN(C(=O)O/N=C/c1ccccc1)C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-56810

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/jfdjxxrthctume-dhzhzojosa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C10H12N2O2/c1-12(2)10(13)14-11-8-9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.4121/8aae7661-4af1-4604-9653-8ea10eed0afd.v1
title: Data underlying the publication: Pushing the boundaries of electrochemical ion separation for near-identical ions

description: In recent decades, increasing global population and industrialization have driven interest in the sustainable extraction of valuable resources from water, as well as in water reuse applications. This includes selectively removing undesired ions, such as sodium, or extracting valuable ions, such as lithium, from water. These separations are difficult to achieve due to the high concentrations of competing ions with similar properties, such as charge and size. As a result, separating similar ions, e.g., sodium, potassium, and lithium, is often regarded as the ‘holy grail’ of ion separation. Although selective separation can be achieved with electrochemical desalination technologies, the limited selectivity for ions with the same charge is insufficient for many applications. In the publication, we introduce a novel approach for achieving exceptionally high selectivity between two very similar ions, sodium and potassium, by adapting switching times of ion collection. We demonstrate that our method, termed Concentration Dependent Switching (CDS), is effective for sodium and potassium, achieving high removal of one ion while leaving the other in solution. The high removal can be achieved to either of the ions in solution. We highlight its applicability to other challenging separations, including lithium and sodium. The CDS method can be integrated into any cyclically operated deionization technology that exhibits differences in the dynamics of adsorption and desorption of ions. This datafile contains the experimental data, the output of our models and the model files.
DOI: 10.5281/zenodo.17513949
title: Supplementary Table 1 supporting the manuscript "Intramuscular plasmid DNA electroporation restrains Neoantigen-Specific CD8⁺ T Cells within vaccination site"

description: Data produced in the manuscript "Intramuscular plasmid DNA electroporation restrains Neoantigen-Specific CD8⁺ T Cells within vaccination site":



Table S1. Contains results from differential gene expression analyses, Gene Set Enrichment Analysis (GSEA), and immune cell deconvolution analysis