cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/frtvleztkrswbw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (methyl 3-[5-[2,3,4,6-tetra(carbazol-9-yl)-5-cyanophenyl]-1,3,4-oxadiazol-2-yl]propanoate)
title: InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3

description: dataset for mass spectrometry (MS) HRMS (FAB-MS, 3-NBA, C61H39N7O3) Calcd 918.3193 [M+H]+; Found 918.3194 [M+H]+.
DOI: 10.14272/frtvleztkrswbw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl 3-[5-[2,3,4,6-tetra(carbazol-9-yl)-5-cyanophenyl]-1,3,4-oxadiazol-2-yl]propanoate)
title: InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H-NMR (300 MHz, CDCl3, ppm) δ = 8.12 (d, J = 7.7 Hz, 2H), 7.67 (ddd, J = 19.7, 5.5, 2.2 Hz, 4H), 7.52 (t, J = 7.6 Hz, 2H), 7.47–7.28 (m, 6H), 7.25–7.17 (m, 2H), 7.17–6.91 (m, 12H), 6.81 (t, J = 7.4 Hz, 2H), 6.67 (t, J = 7.7 Hz, 2H), 3.52 (s, 3H), 2.28 (dd, J = 9.5, 6.4 Hz, 2H), 1.77 (dd, J = 9.3, 6.5 Hz, 2H). The spectrum contains residual solvent (ethyl acetate, 68%). Due to low solubility of the sample and remaining residue, this does not reflect the actual remaining solvent in the sample.
DOI: 10.14272/frtvleztkrswbw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl 3-[5-[2,3,4,6-tetra(carbazol-9-yl)-5-cyanophenyl]-1,3,4-oxadiazol-2-yl]propanoate)
title: InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ = 171.1, 165.5, 157.3, 143.8, 143.8, 143.0, 143.0, 142.3, 142.3, 141.0, 139.0, 138.6, 137.7, 136.8, 128.3, 126.9, 126.8, 125.8, 125.7, 125.7, 124.7, 124.7, 124.5, 124.4, 124.4, 124.4, 124.1, 124.1, 123.9, 123.9, 121.7, 121.7, 121.6, 121.3, 121.0, 120.8, 120.8, 120.4, 120.2, 119.7, 117.8, 112.1, 110.2, 109.9, 109.6, 51.9, 29.3, 20.0. (Missing 13 C due to unassignable signals caused by low resolution due to poor solubility and unassignable molecular symmetry).
DOI: 10.14272/frtvleztkrswbw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (methyl 3-[5-[2,3,4,6-tetra(carbazol-9-yl)-5-cyanophenyl]-1,3,4-oxadiazol-2-yl]propanoate)
title: InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 3046 (vw), 2947 (vw), 1373 (w), 1598 (vw), 1567 (w), 1490 (w), 1478 (w), 1447 (m), 1333 (w), 1309 (w), 1222 (m), 1151 (w), 1119 (w), 1027 (w), 926 (w), 743 (m), 720 (m), 617 (w), 577 (w), 549 (w), 527 (w), 486 (vw), 441 (w), 421 (w).
DOI: 10.7910/dvn/f3opbq
title: Replication Data for: Distributions, conservation status, and abiotic stress tolerance potential of wild cucurbits (Cucurbita L.)

description: This dataset consists of four species distribution models in GeoTiff format as result of an ex-situ gap analysis of Cucurbita crop wild relatives. These files are part of the example provided in the library GapAnalysisR.
DOI: 10.7910/dvn/f3opbq/5ngsrc
title: digitata.tif

description: :unav
DOI: 10.7910/dvn/f3opbq/6qmugg
title: palmata.tif

description: :unav
DOI: 10.7910/dvn/f3opbq/rxhtyh
title: cordata.tif

description: :unav
DOI: 10.7910/dvn/f3opbq/xjtizp
title: foetidissima.tif

description: :unav
DOI: 10.14272/jhlabsloxsxfqz-uhfffaoysa-n.2
title: 2-methyl-5-[2,3,4,6-tetra(carbazol-9-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
title: InChI=1S/C60H38N8O2/c1-35-61-63-59(69-35)53-55(65-45-27-11-3-19-37(45)38-20-4-12-28-46(38)65)54(60-64-62-36(2)70-60)57(67-49-31-15-7-23-41(49)42-24-8-16-32-50(42)67)58(68-51-33-17-9-25-43(51)44-26-10-18-34-52(44)68)56(53)66-47-29-13-5-21-39(47)40-22-6-14-30-48(40)66/h3-34H,1-2H3

description: This dataset contains experimental data from a sample (2-methyl-5-[2,3,4,6-tetra(carbazol-9-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole, InChI=1S/C60H38N8O2/c1-35-61-63-59(69-35)53-55(65-45-27-11-3-19-37(45)38-20-4-12-28-46(38)65)54(60-64-62-36(2)70-60)57(67-49-31-15-7-23-41(49)42-24-8-16-32-50(42)67)58(68-51-33-17-9-25-43(51)44-26-10-18-34-52(44)68)56(53)66-47-29-13-5-21-39(47)40-22-6-14-30-48(40)66/h3-34H,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/jhlabsloxsxfqz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-methyl-5-[2,3,4,6-tetra(carbazol-9-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole)
title: InChI=1S/C60H38N8O2/c1-35-61-63-59(69-35)53-55(65-45-27-11-3-19-37(45)38-20-4-12-28-46(38)65)54(60-64-62-36(2)70-60)57(67-49-31-15-7-23-41(49)42-24-8-16-32-50(42)67)58(68-51-33-17-9-25-43(51)44-26-10-18-34-52(44)68)56(53)66-47-29-13-5-21-39(47)40-22-6-14-30-48(40)66/h3-34H,1-2H3

description: dataset for mass spectrometry (MS) HRMS (FAB-MS, 3-NBA, C60H39N8O2) Calcd 903.3197 [M+H]+, Found 903.3196 [M+H]+.
DOI: 10.14272/jhlabsloxsxfqz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-methyl-5-[2,3,4,6-tetra(carbazol-9-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole)
title: InChI=1S/C60H38N8O2/c1-35-61-63-59(69-35)53-55(65-45-27-11-3-19-37(45)38-20-4-12-28-46(38)65)54(60-64-62-36(2)70-60)57(67-49-31-15-7-23-41(49)42-24-8-16-32-50(42)67)58(68-51-33-17-9-25-43(51)44-26-10-18-34-52(44)68)56(53)66-47-29-13-5-21-39(47)40-22-6-14-30-48(40)66/h3-34H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6, ppm) δ = 8.10 (d, J = 7.8 Hz, 2H), 7.80–7.74 (m, 6H), 7.69–7.59 (m, 6H), 7.51–7.44 (m, 2H), 7.40–7.32 (m, 2H), 7.25–7.17 (m, 2H), 7.06–6.93 (m, 8H), 6.83–6.73 (m, 4H), 1.47 (s, 6H). Specrum contains minor impuirities and residual solvents (methylene chloride, ethyl acetate).
DOI: 10.14272/jhlabsloxsxfqz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-methyl-5-[2,3,4,6-tetra(carbazol-9-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole)
title: InChI=1S/C60H38N8O2/c1-35-61-63-59(69-35)53-55(65-45-27-11-3-19-37(45)38-20-4-12-28-46(38)65)54(60-64-62-36(2)70-60)57(67-49-31-15-7-23-41(49)42-24-8-16-32-50(42)67)58(68-51-33-17-9-25-43(51)44-26-10-18-34-52(44)68)56(53)66-47-29-13-5-21-39(47)40-22-6-14-30-48(40)66/h3-34H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO-d6, ppm) δ = 163.0, 157.4, 141.3, 140.9, 139.7, 138.8, 137.6, 128.4, 125.9, 125.0, 124.2, 122.8, 122.8, 122.6, 120.3, 120.1, 120.0, 119.6, 119.3, 111.6, 110.9, 110.1, 9.2. (Missing 37 C due to unassignable signals caused by low resolution due to poor solubility and unassignable molecular symmetry). Spectrum contains minor impurities.
DOI: 10.14272/jhlabsloxsxfqz-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-methyl-5-[2,3,4,6-tetra(carbazol-9-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole)
title: InChI=1S/C60H38N8O2/c1-35-61-63-59(69-35)53-55(65-45-27-11-3-19-37(45)38-20-4-12-28-46(38)65)54(60-64-62-36(2)70-60)57(67-49-31-15-7-23-41(49)42-24-8-16-32-50(42)67)58(68-51-33-17-9-25-43(51)44-26-10-18-34-52(44)68)56(53)66-47-29-13-5-21-39(47)40-22-6-14-30-48(40)66/h3-34H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 2923 (vw), 1722 (vw), 1576 (w), 1491 (w), 1478 (w), 1446 (m), 1333 (w), 1308 (m), 1285 (w), 1221 (m), 1148 (w), 1120 (w), 1005 (w), 951 (w), 923 (w), 841 (vw), 742 (m), 720 (m), 618 (w), 577 (w), 544 (w), 527 (w), 473 (w), 422 (w), 402 (vw).
DOI: 10.14272/kuogvdskrxzpej-uhfffaoysa-n.2
title: 2,3,4,6-tetra(carbazol-9-yl)-5-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile
title: InChI=1S/C61H35N7OS/c62-36-45-56(65-46-26-9-1-18-37(46)38-19-2-10-27-47(38)65)55(61-64-63-60(69-61)54-34-17-35-70-54)58(67-50-30-13-5-22-41(50)42-23-6-14-31-51(42)67)59(68-52-32-15-7-24-43(52)44-25-8-16-33-53(44)68)57(45)66-48-28-11-3-20-39(48)40-21-4-12-29-49(40)66/h1-35H

description: This dataset contains experimental data from a sample (2,3,4,6-tetra(carbazol-9-yl)-5-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile, InChI=1S/C61H35N7OS/c62-36-45-56(65-46-26-9-1-18-37(46)38-19-2-10-27-47(38)65)55(61-64-63-60(69-61)54-34-17-35-70-54)58(67-50-30-13-5-22-41(50)42-23-6-14-31-51(42)67)59(68-52-32-15-7-24-43(52)44-25-8-16-33-53(44)68)57(45)66-48-28-11-3-20-39(48)40-21-4-12-29-49(40)66/h1-35H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/kuogvdskrxzpej-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2,3,4,6-tetra(carbazol-9-yl)-5-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile)
title: InChI=1S/C61H35N7OS/c62-36-45-56(65-46-26-9-1-18-37(46)38-19-2-10-27-47(38)65)55(61-64-63-60(69-61)54-34-17-35-70-54)58(67-50-30-13-5-22-41(50)42-23-6-14-31-51(42)67)59(68-52-32-15-7-24-43(52)44-25-8-16-33-53(44)68)57(45)66-48-28-11-3-20-39(48)40-21-4-12-29-49(40)66/h1-35H

description: dataset for mass spectrometry (MS) HRMS (FAB-MS, 3-NBA, C61H35N7OS) Calcd 914.2702 [M+H]+; Found 914.2704 [M+H]+.
DOI: 10.14272/kuogvdskrxzpej-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,3,4,6-tetra(carbazol-9-yl)-5-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile)
title: InChI=1S/C61H35N7OS/c62-36-45-56(65-46-26-9-1-18-37(46)38-19-2-10-27-47(38)65)55(61-64-63-60(69-61)54-34-17-35-70-54)58(67-50-30-13-5-22-41(50)42-23-6-14-31-51(42)67)59(68-52-32-15-7-24-43(52)44-25-8-16-33-53(44)68)57(45)66-48-28-11-3-20-39(48)40-21-4-12-29-49(40)66/h1-35H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6, ppm) δ = 8.22–8.07 (m, 3H), 7.99 (d, J = 8.2 Hz, 2H), 7.83–7.70 (m, 4H), 7.70–7.56 (m, 7H), 7.52 (t, J = 7.7, 7.7 Hz, 2H), 7.41 (d, J = 7.6 Hz, 2H), 7.32 (t, J = 7.5, 7.5 Hz, 2H), 7.07 (p, J = 7.2, 7.2, 7.2, 7.2 Hz, 4H), 7.03–6.91 (m, 4H), 6.88 (t, J = 4.5, 4.5 Hz, 1H), 6.78 (t, J = 7.4, 7.4 Hz, 2H), 6.71 (t, J = 7.7, 7.7 Hz, 2H). Spectrum contains minor impurities of residual solvents (methylene chloride) and H grease.
DOI: 10.5281/zenodo.3658033
title: Tabla A.3.1

description: Mediciones sobre variables morfológicas en 299 individuos de Corbicula pertenecientes a 15 poblaciones Argentinas y a tres linajes. Los códigos de las poblaciones se indican en la Tabla 3.1.
DOI: 10.5281/zenodo.3658034
title: Tabla A.3.1

description: Mediciones sobre variables morfológicas en 299 individuos de Corbicula pertenecientes a 15 poblaciones Argentinas y a tres linajes. Los códigos de las poblaciones se indican en la Tabla 3.1.
DOI: 10.5281/zenodo.3659252
title: Supplementary information: oral lichen planus

description: <strong>Supplementary information</strong> Supplementary table 1: information of patients. We retrospectively collected focal fibrous hyperplasias, head and neck cancers, pemphigoid, pemphigus and oral lichen planus lesions in paraffin-embedded tissues of Chilean cases. For Oral lichen planus diagnosis we use both clinical and histopathologic criteria enumerated in the position paper by the American Academy of Oral and Maxillofacial Pathology. Asymptomatic cases of oral lichen planus do not received any treatment, except periodic observation by an oral medicine specialist. Painful and burning cases were controlled with the use of topical corticosteroids. Supplementary dataset 1: Génie ranking of protein-coding genes. Supplementary dataset 2: PANTHER classification. Supplementary Figure 1: Cytoscape/CHAT contextual hubs. Supplementary dataset 3: significant p-values reported by Cytoscape/CHAT.
DOI: 10.14272/kuogvdskrxzpej-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,3,4,6-tetra(carbazol-9-yl)-5-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile)
title: InChI=1S/C61H35N7OS/c62-36-45-56(65-46-26-9-1-18-37(46)38-19-2-10-27-47(38)65)55(61-64-63-60(69-61)54-34-17-35-70-54)58(67-50-30-13-5-22-41(50)42-23-6-14-31-51(42)67)59(68-52-32-15-7-24-43(52)44-25-8-16-33-53(44)68)57(45)66-48-28-11-3-20-39(48)40-21-4-12-29-49(40)66/h1-35H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO, ppm) δ = 159.8, 156.0, 142.9, 141.0, 139.4, 138.7, 138.1, 131.7, 129.5, 127.9, 126.2, 125.0, 125.0, 123.9, 123.1, 123.0, 123.0, 122.6, 122.2, 120.8, 120.5, 120.3, 120.1, 119.7, 119.6, 119.1, 117.9, 111.2, 111.1, 110.5. (Missing 31C due to unassignable signals caused by low resolution due to poor solubility and unassignable molecular symmetry). The spectrum also cintains CDCl3 which was added for enhanced solubility.
DOI: 10.14272/kuogvdskrxzpej-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2,3,4,6-tetra(carbazol-9-yl)-5-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile)
title: InChI=1S/C61H35N7OS/c62-36-45-56(65-46-26-9-1-18-37(46)38-19-2-10-27-47(38)65)55(61-64-63-60(69-61)54-34-17-35-70-54)58(67-50-30-13-5-22-41(50)42-23-6-14-31-51(42)67)59(68-52-32-15-7-24-43(52)44-25-8-16-33-53(44)68)57(45)66-48-28-11-3-20-39(48)40-21-4-12-29-49(40)66/h1-35H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 3048 (vw), 3022 (vw), 2920 (vw), 2853 (vw), 1582 (w), 1478 (w), 1448 (m), 1333 (w), 1309 (w), 1223 (m), 1151 (w), 1119 (w), 1027 (w), 922 (vw), 855 (vw), 741 (m), 720 (m), 618 (w), 576 (w), 550 (w), 527 (w), 486 (vw), 462 (vw), 442 (w), 422 (w).
DOI: 10.14272/agyplzhkxmpafz-uhfffaoysa-n.2
title: 3-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile
title: InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H

description: This dataset contains experimental data from a sample (3-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile, InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/agyplzhkxmpafz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile)
title: InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Methylene Chloride-d2, ppm) δ = 8.19 (dd, J = 7.6, 2.7 Hz, 2H), 7.84–7.73 (m, 2H), 7.68 (d, J = 7.7 Hz, 2H), 7.58–7.35 (m, 8H), 7.30–6.97 (m, 18H), 6.87 (td, J = 7.5, 4.4 Hz, 4H), 6.76–6.66 (m, 2H), 6.34 (dd, J = 7.8, 3.1 Hz, 4H), 4.88 (s, 1H). Spectrum contains minor impurities of residual solvents (water, cyclohexane) and H grease.
DOI: 10.14272/agyplzhkxmpafz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (3-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile)
title: InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H

description: dataset for mass spectrometry (MS) HRMS (FAB-MS, 3-NBA, C70H43N7O) Calcd 998.3607 [M+H]+; Found 998.3605 [M+H]+.
DOI: 10.14272/agyplzhkxmpafz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile)
title: InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CD2Cl2, ppm) δ = 168.0, 158.1, 144.4, 143.5, 142.9, 141.4 (2C), 139.4 (2C), 139.1 (2C), 138.2 (2C), 138.1 (2C), 137.3, 129.2, 129.1 (4C), 128.5 (4C), 127.8 (2C), 127.4 (2C), 126.3 (2C), 126.2 (2C), 125.3 (2C), 124.7 (2C), 124.7 (2C), 124.4 (2C), 124.2 (2C), 122.1 (4C), 121.8 (2C), 121.6 (2C), 121.3 (2C), 120.8 (2C), 120.7 (2C), 120.1 (2C), 118.2, 112.6, 110.8 (2C), 110.5 (2C), 110.0 (2C), 110.0 (2C), 48.3. Residues of solvent at 27.5 ppm.
DOI: 10.14272/agyplzhkxmpafz-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile)
title: InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 2921 (vw), 1598 (vw), 1551 (vw), 1490 (w), 1479 (w), 1444 (w), 1333(w), 1309 (w), 1222 (w), 1151 (w), 1119 (w), 1028 (w), 925 (vw), 785 (vw), 741 (m), 720(w), 696 (w), 617 (w), 550 (w), 527 (vw), 486 (vw), 421 (w).
DOI: 10.6073/pasta/9188bc3fb2e607fb01af1a3fa8fa9785
title: Time series of high-frequency meteorological data at Falling Creek Reservoir, Virginia, USA 2015-2019

description: This dataset consists of meteorological variables measured by a research-grade Campbell Scientific meteorological station deployed on the dam of Falling Creek Reservoir. Falling Creek Reservoir (Vinton, Virginia, USA), is owned and operated by the Western Virginia Water Authority as a primary water source. The meteorological variables include photosynthetically active radiation, barometric pressure, ambient air temperature, relative humidity, rainfall, wind speed and direction, shortwave radiation, infrared radiation, and albedo. All variables were measured every 5 minutes from 2015-07-07 16:45:00 to 2015-07-13 12:20:00 (YYYY-MM-DD hh:mm:ss) and every minute thereafter to the end of the dataset at 2019-12-31 23:59:00. We applied substantial substantial quality assurance/quality control protocols to the raw observations, as described therein.
DOI: 10.25345/c5q97s
title: MassIVE MSV000084935 - Shotgun proteomic analysis of pancreatic cancer cell lines vs. normal epithelial ductal pancreatic cells
title: We have run a shotgun proteomic analysis of cell lysates from pancreatic cancer cell lines (PANC-1, PaCa-44, MIA PaCa-2 and BxPC-3) vs. normal epithelial ductal pancreatic cells (HPDE) in LC-MS/MS. No labelling was performed and digestion was done with Trypsin/Lys-C mix endoproteinase.
DOI: 10.25548/16-wm32
title: KIDNEY REPAIR AND REGENERATION: PERSPECTIVES OF THE (RE)BUILDING A KIDNEY CONSORTIUM

description: This collection features data included in the RBK's repair and regeneration perspectives paper. Particularly data from the following studies: Liu, J., et al., Molecular characterization of the transition from acute to chronic kidney injury following ischemia/reperfusion. JCI Insight, 2017. 2(18). Kusaba, T., et al., Differentiated kidney epithelial cells repair injured proximal tubule. Proc Natl Acad Sci U S A, 2014. 111(4): p. 1527-32.
DOI: 10.25548/16-wmm4
title: Aging shifts procollagen 1a1 production from myofibroblasts to fibroblasts in dogs prone to prostate related urinary dysfunction

description: Abstract
DOI: 10.5281/zenodo.3633792
title: Data for "Gut microbial genes are associated with neurocognition and brain development in healthy children"

description: <strong>Datasets accompanying<em> Gut microbial genes are associated with neurocognition and brain development in healthy children</em>, submitted to Nature Microbiology.</strong> <strong>Contents:</strong> fecal_samples_master.csv Metadata for all fecal samples processed by the Klepac-Ceraj Lab at Wellesley College filemakerdb.csv Initial export and parsing (long form) of deidentified patient metadata from internal filemnaker pro database gbm.txt Info about potentially neuroactive gene sets This was acquired as Supplementary Dataset 1 from https://doi.org/10.1038/s41564-018-0337-x batchXXX_analysis_noknead.tar.gz Sequencing batches 001-012 (see fecal_samples_master.csv for metadata about samples contained in each batch) Each tarball contains: <strong>cluster.yaml</strong>: configuration file for snakemake pipeline (repo link) <strong>config.yaml</strong>: run configuration for snakemake pipeline <strong>.snakemake/</strong>: metadata about snakemake pipeline runs on engaging cluster at MIT <strong>output/</strong>: outputs from metaphlan2 and humann2 analysis runs. Note: kneaddata sequence files were not included, but will be uploaded to SRA (link to come) All uniprot searches were performed 2019-09-19 uniprot-abxr.tsv search term: "keyword:\"Antibiotic resistance [KW-0046]\" AND reviewed:yes" uniprot-carbohydrate.tsv search term: "keyword:\"Carbohydrate metabolism [KW-0119]\" AND reviewed:yes" uniprot-fa.tsv search term: (keyword:\"Fatty acid biosynthesis [KW-0275]\" OR keyword:\"Fatty acid metabolism [KW-0276]\") AND reviewed:yes"
DOI: 10.5281/zenodo.3659211
title: Demonstration of Scientific Workflow Reproducibility with Hyperflow Workflow Management System

description: This package contains the Experiment Digital Object that allows to reproduce the workflow execution experiment. The content of the package:<br> - Information about the experimental workflow (below).<br> - Experiment execution traces in the form of a dataframe (csv file) with description of the format (below).<br> - Visualization of the execution (png file).<br> - Python script for analysis of the execution trace (generates the visualization). <br> - Instructions describing how to reproduce the experiment (below).
DOI: 10.5281/zenodo.3659212
title: Demonstration of Scientific Workflow Reproducibility with Hyperflow Workflow Management System

description: This package contains the Experiment Digital Object that allows to reproduce the workflow execution experiment. The content of the package:<br> - Information about the experimental workflow (below).<br> - Experiment execution traces in the form of a dataframe (csv file) with description of the format (below).<br> - Visualization of the execution (png file).<br> - Python script for analysis of the execution trace (generates the visualization). <br> - Instructions describing how to reproduce the experiment (below).