cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/xxgghehnqkjobo-uhfffaoysa-n.1
title: N,N-diphenyl-4-thiophen-2-ylaniline
title: InChI=1S/C22H17NS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22/h1-17H

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/C22H17NS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22/h1-17H, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1cccs1, and by the IUPAC name[cheminf_000107]: N,N-diphenyl-4-thiophen-2-ylaniline. 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-28350 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 124.0 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001071 | heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY) 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/xxgghehnqkjobo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (N,N-diphenyl-4-thiophen-2-ylaniline)
title: InChI=1S/C22H17NS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22/h1-17H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Dichloromethane-d2 [5.32 ppm], ppm) δ = 7.51–7.47 (m, 2H), 7.30–7.29 (m, 1H), 7.29–7.26 (m, 4H), 7.24 (q, J = 1.1 Hz, 1H), 7.12–7.09 (m, 4H), 7.08–7.03 (m, 5H).
DOI: 10.14272/xxgghehnqkjobo-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (N,N-diphenyl-4-thiophen-2-ylaniline)
title: InChI=1S/C22H17NS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22/h1-17H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3029, 2927, 2847, 1584, 1530, 1492, 1480, 1451, 1429, 1415, 1324, 1315, 1272, 1207, 1191, 1171, 1153, 1137, 1112, 1074, 1050, 1028, 1011, 997, 979, 958, 919, 890, 841, 816, 751, 727, 690, 636, 618, 582, 533 cm–1.
DOI: 10.14272/xxgghehnqkjobo-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (N,N-diphenyl-4-thiophen-2-ylaniline)
title: InChI=1S/C22H17NS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22/h1-17H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 328/327 (26/100) [M]+, 77 (10); HRMS–EI (m/z): [M]+ calcd for C22H17N1S1, 327.1081; found, 327.1083.
DOI: 10.14272/xxgghehnqkjobo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N,N-diphenyl-4-thiophen-2-ylaniline)
title: InChI=1S/C22H17NS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22/h1-17H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Dichloromethane-d2 [54.0 ppm], ppm) δ = 148.1 (2C), 147.9 (1C), 144.7 (1C), 129.8 (4C), 129.0 (1C), 128.6 (1C), 127.2 (2C), 125.0 (4C), 124.6 (1C), 124.2 (2C), 123.7 (2C), 122.8 (1C).
DOI: 10.14272/lyhcdnswoorsgh-uhfffaoysa-n.1
title: 9-(4-thiophen-2-ylphenyl)carbazole
title: InChI=1S/C22H15NS/c1-3-8-20-18(6-1)19-7-2-4-9-21(19)23(20)17-13-11-16(12-14-17)22-10-5-15-24-22/h1-15H

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/C22H15NS/c1-3-8-20-18(6-1)19-7-2-4-9-21(19)23(20)17-13-11-16(12-14-17)22-10-5-15-24-22/h1-15H, and canonical SMILES descriptor[cheminf_000007]: c1csc(c1)c1ccc(cc1)n1c2ccccc2c2c1cccc2, and by the IUPAC name[cheminf_000107]: 9-(4-thiophen-2-ylphenyl)carbazole. 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-28378 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 185.0 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001071 | heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY) 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/lyhcdnswoorsgh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (9-(4-thiophen-2-ylphenyl)carbazole)
title: InChI=1S/C22H15NS/c1-3-8-20-18(6-1)19-7-2-4-9-21(19)23(20)17-13-11-16(12-14-17)22-10-5-15-24-22/h1-15H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Dichloromethane-d2 [5.32 ppm], ppm) δ = 8.17 (d, J = 7.6 Hz, 2H), 7.89–7.85 (m, 2H), 7.62–7.59 (m, 2H), 7.49–7.42 (m, 5H), 7.38 (dd, J = 0.8 Hz, J = 5.1 Hz, 1H), 7.33–7.29 (m, 2H), 7.16 (dd, J = 3.7 Hz, J = 4.9 Hz, 1H). Water from CD2Cl2 at 1.54 ppm.
DOI: 10.14272/lyhcdnswoorsgh-uhfffaoysa-n/chmo0001071
title: heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY) (9-(4-thiophen-2-ylphenyl)carbazole)
title: InChI=1S/C22H15NS/c1-3-8-20-18(6-1)19-7-2-4-9-21(19)23(20)17-13-11-16(12-14-17)22-10-5-15-24-22/h1-15H

description: dataset for heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)
DOI: 10.14272/lyhcdnswoorsgh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (9-(4-thiophen-2-ylphenyl)carbazole)
title: InChI=1S/C22H15NS/c1-3-8-20-18(6-1)19-7-2-4-9-21(19)23(20)17-13-11-16(12-14-17)22-10-5-15-24-22/h1-15H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Dichloromethane-d2 [54.0 ppm], ppm) δ = 143.9 (1C), 141.3 (2C), 137.3 (1C), 134.0 (1C), 128.8 (1C), 127.9 (2C), 127.7 (2C), 126.6 (2C), 125.9 (1C), 124.2 (1C), 123.9 (2C), 120.8 (2C), 120.6 (2C), 110.3 (2C).
DOI: 10.14272/lyhcdnswoorsgh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (9-(4-thiophen-2-ylphenyl)carbazole)
title: InChI=1S/C22H15NS/c1-3-8-20-18(6-1)19-7-2-4-9-21(19)23(20)17-13-11-16(12-14-17)22-10-5-15-24-22/h1-15H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3094, 3063, 3050, 3040, 2924, 1938, 1904, 1870, 1783, 1625, 1596, 1564, 1536, 1503, 1477, 1449, 1431, 1415, 1364, 1350, 1334, 1316, 1299, 1276, 1259, 1228, 1214, 1187, 1169, 1145, 1118, 1108, 1082, 1055, 1018, 996, 958, 939, 931, 914, 856, 847, 839, 822, 759, 747, 724, 703, 677, 642, 623, 585, 568, 533 cm–1.
DOI: 10.14272/lyhcdnswoorsgh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (9-(4-thiophen-2-ylphenyl)carbazole)
title: InChI=1S/C22H15NS/c1-3-8-20-18(6-1)19-7-2-4-9-21(19)23(20)17-13-11-16(12-14-17)22-10-5-15-24-22/h1-15H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 327/326/325 (7/24/100) [M]+; HRMS–EI (m/z): [M]+ calcd for C22H15N1S1, 325.0925; found, 325.0897.
DOI: 10.14272/lahspjhdquqbtb-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (9-(4-bromophenyl)-3,6-ditert-butylcarbazole)
title: InChI=1S/C26H28BrN/c1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h7-16H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.15–8.15 (m, 2H), 7.73–7.70 (m, 2H), 7.49–7.44 (m, 4H), 7.33 (d, J = 8.6 Hz, 2H), 1.48 (s, 18H). Water from CDCl3 1.56 ppm.
DOI: 10.14272/lahspjhdquqbtb-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (9-(4-bromophenyl)-3,6-ditert-butylcarbazole)
title: InChI=1S/C26H28BrN/c1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h7-16H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 143.2 (2C), 138.9 (2C), 137.3 (1C), 133.0 (2C), 128.3 (2C), 123.7 (2C), 123.5 (2C), 120.2 (1C), 116.3 (2C), 109.0 (2C), 34.7 (2C), 32.0 (6C).
DOI: 10.14272/lahspjhdquqbtb-uhfffaoysa-n/chmo0001071
title: heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY) (9-(4-bromophenyl)-3,6-ditert-butylcarbazole)
title: InChI=1S/C26H28BrN/c1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h7-16H,1-6H3

description: dataset for heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)
DOI: 10.14272/lahspjhdquqbtb-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (9-(4-bromophenyl)-3,6-ditert-butylcarbazole)
title: InChI=1S/C26H28BrN/c1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h7-16H,1-6H3

description: dataset for mass spectrometry (MS) FAB-MS (m/z, 3-NBA): 435/433 (100/97) [M]+, 420 (37), 418 (39), 380 (13), 378 (15), 154 (23), 136 (19); HRMS–FAB (m/z): [M]+ calcd for C26H28N179Br1, 433.1400, found 433.1398.
DOI: 10.14272/lahspjhdquqbtb-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) (9-(4-bromophenyl)-3,6-ditert-butylcarbazole)
title: InChI=1S/C26H28BrN/c1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h7-16H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3061, 2962, 2949, 2902, 2864, 1623, 1585, 1489, 1470, 1363, 1326, 1296, 1259, 1235, 1193, 1170, 1102, 1067, 1035, 1010, 881, 840, 822, 810, 765, 741, 720, 694, 652, 632, 611, 595, 500 cm–1.
DOI: 10.14272/lahspjhdquqbtb-uhfffaoysa-n.2
title: 9-(4-bromophenyl)-3,6-di~{tert}-butyl-carbazole
title: InChI=1S/C26H28BrN/c1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h7-16H,1-6H3

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/C26H28BrN/c1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h7-16H,1-6H3, and canonical SMILES descriptor[cheminf_000007]: Brc1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C, and by the IUPAC name[cheminf_000107]: 9-(4-bromophenyl)-3,6-ditert-butylcarbazole. 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-28343 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:0001071 | heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY) 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/giirfsvkdftlpt-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C24H19NO2S/c1-26-18-9-11-22-20(14-18)21-15-19(27-2)10-12-23(21)25(22)17-7-5-16(6-8-17)24-4-3-13-28-24/h3-15H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3054, 2938, 2912, 2894, 2837, 1606, 1581, 1533, 1502, 1487, 1460, 1436, 1412, 1361, 1351, 1329, 1306, 1283, 1242, 1204, 1176, 1159, 1137, 1113, 1084, 1054, 1033, 969, 959, 946, 911, 887, 874, 849, 841, 822, 786, 755, 722, 694, 654, 640, 630, 611, 592, 582, 558 cm–1.
DOI: 10.14272/giirfsvkdftlpt-uhfffaoysa-n/chmo0001071
title: heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY) ()
title: InChI=1S/C24H19NO2S/c1-26-18-9-11-22-20(14-18)21-15-19(27-2)10-12-23(21)25(22)17-7-5-16(6-8-17)24-4-3-13-28-24/h3-15H,1-2H3

description: dataset for heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)
DOI: 10.14272/giirfsvkdftlpt-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H19NO2S/c1-26-18-9-11-22-20(14-18)21-15-19(27-2)10-12-23(21)25(22)17-7-5-16(6-8-17)24-4-3-13-28-24/h3-15H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Dichloromethane-d2 [54.0 ppm], ppm) δ = 154.8 (2C), 144.0 (1C), 137.9 (1C), 136.6 (2C), 133.5 (1C), 128.8 (1C), 127.7 (2C), 127.4 (2C), 125.8 (1C), 124.3 (1C), 124.1 (2C), 115.7 (2C), 111.3 (2C), 103.3 (2C), 56.5 (2C).
DOI: 10.14272/giirfsvkdftlpt-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C24H19NO2S/c1-26-18-9-11-22-20(14-18)21-15-19(27-2)10-12-23(21)25(22)17-7-5-16(6-8-17)24-4-3-13-28-24/h3-15H,1-2H3

description: dataset for mass spectrometry (MS) FAB-MS (m/z, 3-NBA): 387/386/385 (13/43/100) [M]+, 370 (14); HRMS–FAB (m/z): [M]+ calcd for C24H19O2N1S1, 385.1131, found 385.1129.
DOI: 10.14272/giirfsvkdftlpt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H19NO2S/c1-26-18-9-11-22-20(14-18)21-15-19(27-2)10-12-23(21)25(22)17-7-5-16(6-8-17)24-4-3-13-28-24/h3-15H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Dichloromethane-d2 [5.32 ppm], ppm) δ = 7.85–7.82 (m, 2H), 7.59–7.56 (m, 4H), 7.43 (dd, J = 1.1 Hz, J = 3.7 Hz, 1H), 7.39–7.36 (m, 3H), 7.15 (dd, J = 3.5 Hz, J = 5.1 Hz, 1H), 7.04 (dd, J = 2.7 Hz, J = 9.0 Hz, 2H), 3.93 (s, 6H). Water from CD2Cl2 1.54 ppm.
DOI: 10.14272/giirfsvkdftlpt-uhfffaoysa-n.1
title: C24H19NO2S
title: InChI=1S/C24H19NO2S/c1-26-18-9-11-22-20(14-18)21-15-19(27-2)10-12-23(21)25(22)17-7-5-16(6-8-17)24-4-3-13-28-24/h3-15H,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/C24H19NO2S/c1-26-18-9-11-22-20(14-18)21-15-19(27-2)10-12-23(21)25(22)17-7-5-16(6-8-17)24-4-3-13-28-24/h3-15H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: COc1ccc2c(c1)c1cc(OC)ccc1n2c1ccc(cc1)c1cccs1, 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-28406 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 133.0 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001071 | heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY) 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: 10.5281/zenodo.10090905
title: Revised Supplementary material to "Bacterial secondary metabolite induces distinct physiological and transcriptomic response in the diatom Thalassiosira rotula"
DOI: 10.5281/zenodo.10090906
title: Supplementary material to "Bacterial secondary metabolite induces distinct physiological and transcriptomic response in the diatom Thalassiosira rotula"
DOI: 10.5281/zenodo.10117672
title: Revised Supplementary material to "Bacterial secondary metabolite induces distinct physiological and transcriptomic response in the diatom Thalassiosira rotula"
DOI: 10.6084/m9.figshare.24550966
title: Acer opalus chorology

description: Distribution map of <i>Acer opalus</i>.These maps were produced by combining numerous and heterogeneous data collected from atlas monographs providing complete species distribution maps, from national to regional atlases, occurrence geo-databases, scientific and grey literature. The maps were created using ESRI shapefiles (*.shp, *.shx, *.dbf, *.prj files) archived in the ZIP file. Species range is mapped with polygon features (name suffix "plg"), which define continuous areas of occupancy of the species, and with point features (name suffix "pnt"), which identify more fragmented and isolated populations. If synanthropic occurrences are reported outside the species natural range, additional point and/or polygon shapefiles are also present (suffix "syn"). Polygon borders delimiting species ranges are generalized across the mainland and sea boundaries. This offers the possibility to mask sea areas or to clip and extract the terrestrial range parts using GIS data layers of the users' choice. An additional version of polygon ranges are clipped with a coastline (name suffix "clip"), which have been derived from Natural Earth dataset "Admin 0 - Countries" 1:50M version 4.1.0 (https://www.naturalearthdata.com).<br>Please cite as: Caudullo, G., Welk, E., San-Miguel-Ayanz, J., 2017. Chorological maps for the main European woody species. Data in Brief 12, 662-666. DOI: doi.org/10.1016/j.dib.2017.05.007<br>Additional information and used references are on 'supplementary materials' document: https://doi.org/10.6084/m9.figshare.5091901<br>Chorological maps are part of the "European Atlas of Forest Tree Species" project: https://w3id.org/mtv/FISE-Comm/v01<br>
DOI: 10.6084/m9.figshare.24550987
title: Acer granatense chorology

description: Distribution map of <i>Acer granatense</i>.These maps were produced by combining numerous and heterogeneous data collected from atlas monographs providing complete species distribution maps, from national to regional atlases, occurrence geo-databases, scientific and grey literature. The maps were created using ESRI shapefiles (*.shp, *.shx, *.dbf, *.prj files) archived in the ZIP file. Species range is mapped with polygon features (name suffix "plg"), which define continuous areas of occupancy of the species, and with point features (name suffix "pnt"), which identify more fragmented and isolated populations. If synanthropic occurrences are reported outside the species natural range, additional point and/or polygon shapefiles are also present (suffix "syn"). Polygon borders delimiting species ranges are generalized across the mainland and sea boundaries. This offers the possibility to mask sea areas or to clip and extract the terrestrial range parts using GIS data layers of the users' choice. An additional version of polygon ranges are clipped with a coastline (name suffix "clip"), which have been derived from Natural Earth dataset "Admin 0 - Countries" 1:50M version 4.1.0 (https://www.naturalearthdata.com).Please cite as: Caudullo, G., Welk, E., San-Miguel-Ayanz, J., 2017. Chorological maps for the main European woody species. Data in Brief 12, 662-666. DOI: doi.org/10.1016/j.dib.2017.05.007Additional information and used references are on 'supplementary materials' document: https://doi.org/10.6084/m9.figshare.5091901Chorological maps are part of the "European Atlas of Forest Tree Species" project: https://w3id.org/mtv/FISE-Comm/v01
DOI: 10.34740/kaggle/dsv/6956765
title: Egypt Gold Prices | Daily Updated
DOI: 10.6084/m9.figshare.23850660
title: Low-no-calorie sweeteners exert marked compound-specific impact on the human gut microbiota <i>ex vivo</i>

description: Low-no-calorie sweeteners (LNCS) are used as sugar substitutes as part of strategies to reduce the risk of chronic diseases related to high sugar intake (e.g. type 2 diabetes (T2D)). This study investigated how a range of sweeteners [tagatose (TA)/maltitol (MA)/sorbitol (SO)/stevia (ST)/sucralose (SU)/acesulfame K (ACK)] impact the gut microbiota of T2D subjects and healthy human adults using the <i>ex vivo</i> SIFR® technology (<i>n</i> = 12). The cohort covered clinically relevant interpersonal and T2D-related differences. ACK/SU remained intact while not impacting microbial composition and metabolite production. In contrast, TA/SO and ST/MA were respectively readily and gradually fermented. ST and particularly TA/SO/MA increased bacterial density and SCFA production product-specifically: SO increased acetate (∼<i>Bifidobacterium adolescentis</i>), whilst MA/ST increased propionate (∼<i>Parabacteroides distasonis</i>). TA exerted low specificity as it increased butyrate for healthy subjects, yet propionate for T2D subjects. Overall, LNCS exerted highly compound-specific effects stressing that results obtained for one LNCS cannot be generalised to other LNCS.