cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/wztarlnnzgqbdw-uhfffaoysa-n.1
title: 4-(3-(4-butyl-1H-1,2,3-triazol-1-yl)-5-methyl-1H-pyrazol-1-yl)benzonitrile
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

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/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCCCc1nnn(c1)c1nn(c(c1)C)c1ccc(cc1)C#N, 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-37188

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 84.2 - 85.1 (°C)
 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:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000601 | heteronuclear multiple bond coherence (HMBC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 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/wztarlnnzgqbdw-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/wztarlnnzgqbdw-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/wztarlnnzgqbdw-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/wztarlnnzgqbdw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 7.96 (s, 1H), 7.81–7.79 (m, 2H), 7.67–7.65 (m, 2H), 6.76 (s, 1H), 2.78 (t, J = 7.6 Hz, 2H), 2.48 (s, 3H), 1.70 (quint, J = 7.6 Hz, 2H), 1.40 (h, J = 7.3 Hz, 2H), 0.93 (t, J = 7.3 Hz, 3H).
DOI: 10.14272/wztarlnnzgqbdw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 3106 (w), 2959 (w), 2928 (m), 2859 (w), 2225 (m), 1605 (m), 1584 (w), 1561 (m), 1548 (vs), 1537 (s), 1510 (vs), 1460 (w), 1438 (w), 1412 (w), 1388 (vs), 1371 (s), 1315 (w), 1292 (w), 1217 (vs), 1180 (w), 1167 (w), 1129 (w), 1113 (w), 1075 (w), 1038 (vs), 1026 (s), 1011 (s), 984 (m), 943 (s), 844 (vs), 799 (s), 783 (vs), 732 (w), 686 (w), 650 (w), 639 (w), 628 (w), 582 (s), 571 (m), 545 (vs), 462 (w), 431 (w), 415 (w), 408 (w) cm–1.
DOI: 10.14272/wztarlnnzgqbdw-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/wztarlnnzgqbdw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (100 MHz, Chloroform-d [77.16 ppm], ppm) δ = 148.8 (Cq), 148.0 (Cq), 142.6 (Cq), 141.8 (Cq), 133.4 (2C, CH), 124.7 (2C, CH), 118.2 (CH), 118.1 (Cq), 111.6 (Cq), 100.1 (CH), 31.4 (CH2), 25.3 (CH2), 22.3 (CH2), 13.9 (CH3), 13.3 (CH3).
DOI: 10.14272/wztarlnnzgqbdw-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/wztarlnnzgqbdw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3

description: dataset for mass spectrometry (MS)
 
 MS (FAB, 3-NBA), m/z (%): 307 (27) [M+H]+, 178 (10), 165 (16), 154 (42), 143 (16), 133 (76), 119 (30), 105 (46), 91 (100). HRMS–FAB (C17H19N6) (m/z): [M+H]+ Calcd 307.1666; Found 307.1665.
DOI: 10.14272/dgwasootexxjbk-uhfffaoysa-n.1
title: 1-benzyl-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-1H-pyrazole-4-carbonitrile
title: InChI=1S/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2

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/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2, and canonical SMILES descriptor[cheminf_000007]: N#Cc1cn(nc1n1nnc(c1)c1ccccc1)Cc1ccccc1, 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-37220

 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:0000470 | mass spectrometry (MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000601 | heteronuclear multiple bond coherence (HMBC)
 
 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/dgwasootexxjbk-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 8.38 (s, 1H), 7.92–7.90 (m, 2H), 7.87 (s, 1H), 7.48–7.33 (m, 8H), 5.36 (s, 2H). Impurities: grease at 1.29 ppm.
DOI: 10.14272/dgwasootexxjbk-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (100 MHz, Chloroform-d [77.16 ppm], ppm) δ = 148.2 (Cq), 146.3 (Cq), 136.8 (CH), 133.5 (Cq), 129.7 (Cq), 129.5 (2C, CH), 129.5 (CH), 129.1 (2C, CH), 128.8 (CH), 128.6 (2C, CH), 126.2 (2C, CH), 117.7 (CH), 111.4 (Cq), 85.6 (Cq), 57.6 (CH2).
DOI: 10.6084/m9.figshare.12798973.v1
title: Additional file 1 of Quantitative analysis of differentially expressed proteins in psoriasis vulgaris using tandem mass tags and parallel reaction monitoring

description: Additional file 1: Table S1. Samples information.
DOI: 10.6084/m9.figshare.12798988
title: Additional file 6 of Quantitative analysis of differentially expressed proteins in psoriasis vulgaris using tandem mass tags and parallel reaction monitoring

description: Additional file 6: Table S3. Venn diagram and same proteins.
DOI: 10.14272/dgwasootexxjbk-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2

description: dataset for mass spectrometry (MS)
 
 MS (EI, 70 eV, 17 °C), m/z (%): 326 (12) [M]+, 298 (92), 181 (17), 131 (15), 91 (100), 69 (19). HRMS–EI (C19H14N6) (m/z): [M]+ Calcd 326.1280; Found 326.1281.
DOI: 10.14272/dgwasootexxjbk-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 3148, 3114, 3041, 2927, 2854, 2791, 2323, 2240, 2166, 1779, 1652, 1605, 1560, 1541, 1494, 1476, 1455, 1397, 1363, 1337, 1307, 1286, 1265, 1234, 1218, 1205, 1184, 1143, 1095, 1078, 1037, 1014, 992, 928, 857, 827, 802, 769, 730, 700, 688, 653, 640, 616, 592, 558, 530, 514, 500, 483, 466, 446, 399, 387, 375 cm–1.
DOI: 10.6084/m9.figshare.12798988.v1
title: Additional file 6 of Quantitative analysis of differentially expressed proteins in psoriasis vulgaris using tandem mass tags and parallel reaction monitoring

description: Additional file 6: Table S3. Venn diagram and same proteins.
DOI: 10.14272/dgwasootexxjbk-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.6084/m9.figshare.12799000
title: Additional file 2 of Metalloproteins and apolipoprotein C: candidate plasma biomarkers of T2DM screened by comparative proteomics and lipidomics in ZDF rats

description: Additional file 2 Differentially expressed proteins (DEP). We considered FC &gt; 1.2 and P of FDR validation &lt; 0.05 as DEPs. FC: Fold changes of the mean quantitation (n = 3) of the ZDF group to their basic diet-fed littermate wild-type group.
DOI: 10.6084/m9.figshare.12799000.v1
title: Additional file 2 of Metalloproteins and apolipoprotein C: candidate plasma biomarkers of T2DM screened by comparative proteomics and lipidomics in ZDF rats

description: Additional file 2 Differentially expressed proteins (DEP). We considered FC &gt; 1.2 and P of FDR validation &lt; 0.05 as DEPs. FC: Fold changes of the mean quantitation (n = 3) of the ZDF group to their basic diet-fed littermate wild-type group.
DOI: 10.14272/dgwasootexxjbk-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/dgwasootexxjbk-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/dgwasootexxjbk-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C19H14N6/c20-11-17-13-24(12-15-7-3-1-4-8-15)22-19(17)25-14-18(21-23-25)16-9-5-2-6-10-16/h1-10,13-14H,12H2

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.6084/m9.figshare.12799003
title: Additional file 3 of Metalloproteins and apolipoprotein C: candidate plasma biomarkers of T2DM screened by comparative proteomics and lipidomics in ZDF rats

description: Additional file 3 Differentially expressed lipids (DEL). We considered VIP of the PLS-DA model &gt; 1.0, FC &gt; 2.0 and P of T-test &lt; 0.05 as DELs. FC: Fold changes of the mean quantitation (n = 6) of the ZDF group to their basic diet-fed littermate wild-type group; ROC: Subject operating characteristic curve area; VIP: variable importance in the projection of the first principal component of the PLS-DA model.
DOI: 10.6084/m9.figshare.12799003.v1
title: Additional file 3 of Metalloproteins and apolipoprotein C: candidate plasma biomarkers of T2DM screened by comparative proteomics and lipidomics in ZDF rats

description: Additional file 3 Differentially expressed lipids (DEL). We considered VIP of the PLS-DA model &gt; 1.0, FC &gt; 2.0 and P of T-test &lt; 0.05 as DELs. FC: Fold changes of the mean quantitation (n = 6) of the ZDF group to their basic diet-fed littermate wild-type group; ROC: Subject operating characteristic curve area; VIP: variable importance in the projection of the first principal component of the PLS-DA model.
DOI: 10.6084/m9.figshare.12799012.v1
title: Additional file 1 of Insights into the cellulose degradation mechanism of the thermophilic fungus Chaetomium thermophilum based on integrated functional omics

description: Additional file 1: Supplementary Tables (S1–S10).
DOI: 10.5281/zenodo.10656480
title: A diachronic typology study on the evolution of tonal complexity
DOI: 10.5281/zenodo.10656481
title: A diachronic typology study on the evolution of tonal complexity
DOI: 10.6084/m9.figshare.21185555.v1
title: Additional file 1 of Nicotinamide reverses deficits in puberty-born neurons and cognitive function after maternal separation

description: Additional file 1. Line graph depicting the stimulus protocol to assess the sensorimotor gating.
DOI: 10.14272/pknombyyawydcg-uhfffaoysa-n.1
title: 1-(1-benzyl-5-methyl-1H-pyrazol-3-yl)-4-butyl-1H-1,2,3-triazole
title: InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3

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/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCCCc1nnn(c1)c1cc(n(n1)Cc1ccccc1)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-37210

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 56.5 - 58.3 (°C)
 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:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000601 | heteronuclear multiple bond coherence (HMBC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000470 | mass spectrometry (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/pknombyyawydcg-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3

description: dataset for mass spectrometry (MS)
 
 MS (EI, 70 eV, 160 °C), m/z (%): 295 (2) [M]+, 267 (37), 224 (100), 176 (33), 169 (11), 91 (74), 69 (25). Unknown higher masses are present with low intensity. HRMS–EI (C17H21N5) (m/z): [M]+ Calcd 295.1791; Found 295.1790.
DOI: 10.14272/pknombyyawydcg-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/pknombyyawydcg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 7.91 (s, 1H), 7.36–7.28 (m, 3H), 7.13 (d, J = 6.7 Hz, 2H), 6.53 (d, J = 0.5 Hz, 1H), 5.28 (s, 2H), 2.78 (t, J = 7.6 Hz, 2H), 2.26 (d, J = 0.4 Hz, 3H), 1.70 (quint, J = 7.5 Hz, 2H), 1.41 (h, J = 7.3 Hz, 2H), 0.94 (t, J = 7.4 Hz, 3H).
DOI: 10.6084/m9.figshare.12799020.v1
title: Additional file 2 of Genome-wide profiling of DNA methylation and gene expression identifies candidate genes for human diabetic neuropathy

description: Additional file 2: Table S1. Patient characteristics. Table S2. RNA-seq & RRBS read quality and mapping summary. Table S3. Differentially expressed genes and their annotation. Table S4. KEGG enrichment analysis of DEGs. Table S5. DEG GO Clustering. Table S6. Reactome enrichment analysis of DEGs. Table S7. Disease ontology enrichment analysis of DEGs. Table S8. Differentially methylated CpG sites and their annotation. Table S9. KEGG enrichment analysis of DMGs. Table S10. DMG GO Clustering. Table S11. Reactome enrichment analysis of DMGs. Table S12. Disease ontology enrichment analysis of DMGs. Table S13. DEG & DMG overlap genes information.
DOI: 10.14272/pknombyyawydcg-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/pknombyyawydcg-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 3145 (w), 3131 (vw), 3064 (w), 3033 (vw), 2955 (m), 2927 (m), 2871 (w), 2861 (w), 1558 (vs), 1545 (s), 1536 (s), 1494 (m), 1490 (m), 1453 (vs), 1436 (s), 1404 (s), 1366 (s), 1315 (m), 1303 (w), 1241 (w), 1218 (vs), 1122 (w), 1077 (w), 1037 (vs), 1017 (m), 984 (w), 963 (w), 945 (s), 925 (w), 795 (vs), 755 (w), 728 (vs), 694 (vs), 679 (m), 663 (m), 642 (m), 637 (m), 616 (w), 575 (m), 456 (m), 419 (w), 401 (w), 391 (m) cm–1.
DOI: 10.6084/m9.figshare.12798973
title: Additional file 1 of Quantitative analysis of differentially expressed proteins in psoriasis vulgaris using tandem mass tags and parallel reaction monitoring

description: Additional file 1: Table S1. Samples information.
DOI: 10.6084/m9.figshare.12799020
title: Additional file 2 of Genome-wide profiling of DNA methylation and gene expression identifies candidate genes for human diabetic neuropathy

description: Additional file 2: Table S1. Patient characteristics. Table S2. RNA-seq & RRBS read quality and mapping summary. Table S3. Differentially expressed genes and their annotation. Table S4. KEGG enrichment analysis of DEGs. Table S5. DEG GO Clustering. Table S6. Reactome enrichment analysis of DEGs. Table S7. Disease ontology enrichment analysis of DEGs. Table S8. Differentially methylated CpG sites and their annotation. Table S9. KEGG enrichment analysis of DMGs. Table S10. DMG GO Clustering. Table S11. Reactome enrichment analysis of DMGs. Table S12. Disease ontology enrichment analysis of DMGs. Table S13. DEG & DMG overlap genes information.
DOI: 10.6084/m9.figshare.8080292
title: MOESM1 of Profiling of chromatin accessibility and identification of general cis-regulatory mechanisms that control two ocular lens differentiation pathways

description: Additional file 1: Table S1. Summary for the ATAC-seq data.
DOI: 10.14272/pknombyyawydcg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (100 MHz, Chloroform-d [77.16 ppm], ppm) δ = 148.4 (Cq), 145.9 (Cq), 141.2 (Cq), 136.3 (Cq), 129.0 (2C, CH), 128.1 (CH), 126.8 (2C, CH), 118.5 (CH), 97.5 (CH), 53.3 (CH2), 31.5 (CH2), 25.4 (CH2), 22.4 (CH2), 14.0 (CH3), 11.6 (CH3).
DOI: 10.6084/m9.figshare.21185654
title: Additional file 10 of Malignant clonal evolution drives multiple myeloma cellular ecological diversity and microenvironment reprogramming

description: Additional file 10: Supplementary Table 5. Specific marker genes of BM tumor microenvironment cells in patients with NDMM and RRMM.
DOI: 10.14272/pknombyyawydcg-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.6084/m9.figshare.8080457.v1
title: MOESM8 of Combining loss of function of FOLYLPOLYGLUTAMATE SYNTHETASE1 and CAFFEOYL-COA 3-O-METHYLTRANSFERASE1 for lignin reduction and improved saccharification efficiency in Arabidopsis thaliana

description: Additional file 8: Table S4. Microarray analysis representing 6-week-old stems of WT, fpgs1, ccoaomt1 and fpgs1ccoaomt1 plants.