cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.22121414
title: National GHG inventory capacity in developing countries – a global assessment of progress

description: Although developing countries have compiled greenhouse gas inventories (GHGI) for over 20 years, improving national GHGI capacity remains a priority under the Paris Agreement. However, a global assessment of GHGI capacity status and change over time has not yet been conducted. By developing a quantifiable GHGI capacity and quality indices based on a synthesis review of 369 submitted GHGIs, our assessment shows that while roughly half of 133 developing countries have improved their GHGI capacity and quality from 1997 to 2019, the remaining countries have not. This is especially evident regarding the GHGI quality principles of promptness, accuracy, and consistency. Future capacity-building approaches should make it clear how GHGIs can support countries pursuing their domestic climate goals, including climate resiliency and low greenhouse gas (GHG) emissions development pathways, while exploring the use of other information sources to replace GHGIs where they are missing. Global assessments of capacity building can largely be improved with increased data availability, which can be addressed collectively under the Paris Agreement. Globally, from 1997 to 2019, half of developing countries have advanced GHGI capacity, while the other half have not improved their GHGI capacity.The quality of GHGIs of countries with higher capacity is better in terms of promptness, accuracy, and consistency.Future capacity-building approaches should make it clear how GHGIs can support countries pursuing their domestic climate goals, including climate resiliency and low GHG emissions development pathways.Global assessments of capacity building can largely be improved with improved data availability. Globally, from 1997 to 2019, half of developing countries have advanced GHGI capacity, while the other half have not improved their GHGI capacity. The quality of GHGIs of countries with higher capacity is better in terms of promptness, accuracy, and consistency. Future capacity-building approaches should make it clear how GHGIs can support countries pursuing their domestic climate goals, including climate resiliency and low GHG emissions development pathways. Global assessments of capacity building can largely be improved with improved data availability.
DOI: 10.14272/dnimtjfiiinlhd-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C52H38N4O16/c1-5-69-49(57)27-9-13-31(43(21-27)53(61)62)39-25-40(32-14-10-28(50(58)70-6-2)22-44(32)54(63)64)36-19-20-38-42(34-16-12-30(52(60)72-8-4)24-46(34)56(67)68)26-41(37-18-17-35(39)47(36)48(37)38)33-15-11-29(51(59)71-7-3)23-45(33)55(65)66/h9-26H,5-8H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 8.79–8.78 (m, 4H), 8.44–8.38 (m, 4H), 7.80–7.75 (m, 4H), 7.73–7.66 (m, 6H), 4.50 (q, J = 7.1 Hz, 8H), 1.47 (t, J = 7.2 Hz, 12H).
DOI: 10.14272/dnimtjfiiinlhd-uhfffaoysa-n.1
title: tetraethyl 4,4',4'',4'''-(pyrene-1,3,6,8-tetrayl)tetrakis(3-nitrobenzoate)
title: InChI=1S/C52H38N4O16/c1-5-69-49(57)27-9-13-31(43(21-27)53(61)62)39-25-40(32-14-10-28(50(58)70-6-2)22-44(32)54(63)64)36-19-20-38-42(34-16-12-30(52(60)72-8-4)24-46(34)56(67)68)26-41(37-18-17-35(39)47(36)48(37)38)33-15-11-29(51(59)71-7-3)23-45(33)55(65)66/h9-26H,5-8H2,1-4H3

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/C52H38N4O16/c1-5-69-49(57)27-9-13-31(43(21-27)53(61)62)39-25-40(32-14-10-28(50(58)70-6-2)22-44(32)54(63)64)36-19-20-38-42(34-16-12-30(52(60)72-8-4)24-46(34)56(67)68)26-41(37-18-17-35(39)47(36)48(37)38)33-15-11-29(51(59)71-7-3)23-45(33)55(65)66/h9-26H,5-8H2,1-4H3, and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])c1cc(c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1[N+](=O)[O-])C(=O)OCC)c1ccc(cc1[N+](=O)[O-])C(=O)OCC)c1ccc(cc1[N+](=O)[O-])C(=O)OCC, 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-37615

 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)
 
 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/dnimtjfiiinlhd-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C52H38N4O16/c1-5-69-49(57)27-9-13-31(43(21-27)53(61)62)39-25-40(32-14-10-28(50(58)70-6-2)22-44(32)54(63)64)36-19-20-38-42(34-16-12-30(52(60)72-8-4)24-46(34)56(67)68)26-41(37-18-17-35(39)47(36)48(37)38)33-15-11-29(51(59)71-7-3)23-45(33)55(65)66/h9-26H,5-8H2,1-4H3

description: dataset for mass spectrometry (MS)
 
 MS (EI, 70 eV, 20°C), m/z (%): 974 (18) [M]+, 327 (17), 281 (23), 221 (25), 207 (33), 155 (18), 154 (58), 147 (76), 138 (22), 137 (42), 136 (100), 133 (19), 120 (24), 107 (34), 106 (22), 105 (21), 95 (17), 91 (63), 90 (47), 89 (35).HRMS (C52H38N4O16): [M]+ calcd 974.2277; found 974.2276.
DOI: 10.14272/dnimtjfiiinlhd-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C52H38N4O16/c1-5-69-49(57)27-9-13-31(43(21-27)53(61)62)39-25-40(32-14-10-28(50(58)70-6-2)22-44(32)54(63)64)36-19-20-38-42(34-16-12-30(52(60)72-8-4)24-46(34)56(67)68)26-41(37-18-17-35(39)47(36)48(37)38)33-15-11-29(51(59)71-7-3)23-45(33)55(65)66/h9-26H,5-8H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 3103 (vw), 2981 (vw), 2921 (w), 2855 (w), 1718 (vs), 1619 (w), 1531 (vs), 1463 (w), 1395 (w), 1366 (w), 1343 (s), 1281 (vs), 1261 (vs), 1236 (vs), 1172 (w), 1152 (s), 1108 (vs), 1007 (s), 983 (w), 917 (w), 861 (w), 834 (m), 818 (w), 762 (s), 733 (m), 682 (w), 494 (w) cm–1.
DOI: 10.14272/dnimtjfiiinlhd-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C52H38N4O16/c1-5-69-49(57)27-9-13-31(43(21-27)53(61)62)39-25-40(32-14-10-28(50(58)70-6-2)22-44(32)54(63)64)36-19-20-38-42(34-16-12-30(52(60)72-8-4)24-46(34)56(67)68)26-41(37-18-17-35(39)47(36)48(37)38)33-15-11-29(51(59)71-7-3)23-45(33)55(65)66/h9-26H,5-8H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (100 MHz, Chloroform-d [77.2 ppm], ppm) δ = 164.3 (4C), 149.7 (2C), 138.7 (4C), 134.2 (4C), 133.7 (4C), 133.4 (4C), 133.3 (4C), 132.8 (4C), 132.0 (4C), 128.8 (4C), 126.9 (2C), 125.6 (4C), 62.1 (4C), 14.3 (4C).
DOI: 10.14272/xdohqphwjlgtgd-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) (4-(4-cyano-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-1-carbonitrile)
title: InChI=1S/C22H12N2O2/c23-11-13-9-19(25)21(17-7-3-1-5-15(13)17)22-18-8-4-2-6-16(18)14(12-24)10-20(22)26/h1-10,25-26H

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 3329 (w), 3061 (w), 2238 (w), 2227 (m), 1615 (w), 1596 (m), 1578 (m), 1509 (m), 1458 (w), 1425 (w), 1384 (m), 1370 (m), 1356 (s), 1313 (m), 1271 (m), 1247 (m), 1221 (s), 1184 (m), 1171 (m), 1152 (w), 1137 (s), 1108 (w), 1050 (s), 1026 (vs), 1000 (vs), 969 (m), 891 (m), 863 (w), 823 (w), 782 (w), 756 (vs), 707 (w), 664 (w), 647 (w), 636 (w), 608 (w), 599 (w), 533 (w), 503 (w), 479 (m), 432 (w), 412 (m) cm–1.
DOI: 10.14272/xdohqphwjlgtgd-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (4-(4-cyano-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-1-carbonitrile)
title: InChI=1S/C22H12N2O2/c23-11-13-9-19(25)21(17-7-3-1-5-15(13)17)22-18-8-4-2-6-16(18)14(12-24)10-20(22)26/h1-10,25-26H

description: dataset for mass spectrometry (MS)
 
 MS (EI, 70 eV, 20 °C), m/z (%): 336 (48) [M]+, 155 (31), 154 (100), 139 (25), 138 (42), 137 (67), 136 (94), 120 (20), 107 (38), 105 (19), 95 (27), 91 (37), 90 (23), 89 (31).HRMS (C22H12N2O2): calcd 336.0893; found 336.0892.
DOI: 10.14272/xdohqphwjlgtgd-uhfffaoysa-n.2
title: 4-(4-cyano-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-1-carbonitrile
title: InChI=1S/C22H12N2O2/c23-11-13-9-19(25)21(17-7-3-1-5-15(13)17)22-18-8-4-2-6-16(18)14(12-24)10-20(22)26/h1-10,25-26H

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/C22H12N2O2/c23-11-13-9-19(25)21(17-7-3-1-5-15(13)17)22-18-8-4-2-6-16(18)14(12-24)10-20(22)26/h1-10,25-26H, and canonical SMILES descriptor[cheminf_000007]: N#Cc1cc(O)c(c2c1cccc2)c1c(O)cc(c2c1cccc2)C#N, and by the IUPAC name[cheminf_000107]: 4-(4-cyano-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-1-carbonitrile.
 
 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-37637

 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: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/xdohqphwjlgtgd-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(4-cyano-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-1-carbonitrile)
title: InChI=1S/C22H12N2O2/c23-11-13-9-19(25)21(17-7-3-1-5-15(13)17)22-18-8-4-2-6-16(18)14(12-24)10-20(22)26/h1-10,25-26H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (400 MHz, DMSO-d6 [2.50 ppm], ppm) δ = 10.21 (br.s, 2H), 8.10 (d, J = 8.3 Hz, 2H), 7.88 (s, 2H), 7.55 (t, J = 7.5 Hz, 2H), 7.40 (t, J = 7.5 Hz, 2H), 7.06 (d, J = 8.4 Hz, 2H).
DOI: 10.14272/xdohqphwjlgtgd-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(4-cyano-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-1-carbonitrile)
title: InChI=1S/C22H12N2O2/c23-11-13-9-19(25)21(17-7-3-1-5-15(13)17)22-18-8-4-2-6-16(18)14(12-24)10-20(22)26/h1-10,25-26H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (100 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 152.3 (2C), 133.5 (2C), 128.1 (2C), 126.7 (2C), 125.6 (2C), 125.1 (2C), 124.5 (2C), 124.5 (2C), 121.0 (2C), 117.4 (2C), 109.9 (2C).
DOI: 10.6084/m9.figshare.17708191.v1
title: Selectivity of Exportin 5 binding to human precursor microRNAs

description: Exportin 5 (Exp5, XPO5) is a nuclear export factor that functions in the microRNA (miRNA) biogenesis pathway to transport precursor miRNAs (pre-miRNAs) from the nucleus to the cytoplasm. Most of our current understanding of the Exp5 and pre-miRNA interaction is based on the investigation of how Exp5 binds to human pre-miR-30a (pre-miR-30 for short). As there are hundreds of human miRNA genes, how representative pre-miR-30 is, whether or how Exp5 interacts with distinct cargoes differentially, or whether Exp5 regulates miRNA expression, is unknown. Here we examined and compared the interactions between Exp5 and 157 human pre-miRNAs. We found that Exp5 binds distinct pre-miRNAs with modest variations in efficiencies, with the 3ʹ overhang and the apical loop in pre-miRNAs being the two major discriminating factors. Exp5 binding efficiencies do not significantly correlate with endogenous miRNA expression, suggesting that Exp5 activity does not contribute to differential miRNA expression <i>in vivo</i>. Nonetheless, in human cells with reduced Exp5 levels, preferential Exp5 binding correlated with miRNA expression changes. Thus, our study provides a global picture of how Exp5 interacts with human pre-miRNAs and its role in regulating miRNA expression. <b>Abbreviations:</b> Exp5: Exportin 5; miRNA: microRNA; pri-miRNA: primary microRNA; pre-miRNA: precursor microRNA; nt: nucleotide
DOI: 10.14272/buqphxbxkagzrz-uhfffaoysa-n.1
title: ethyl 4-bromo-3-methoxy-5-methylbenzoate
title: InChI=1S/C11H13BrO3/c1-4-15-11(13)8-5-7(2)10(12)9(6-8)14-3/h5-6H,4H2,1-3H3

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/C11H13BrO3/c1-4-15-11(13)8-5-7(2)10(12)9(6-8)14-3/h5-6H,4H2,1-3H3, and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)c1cc(C)c(c(c1)OC)Br, 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-36559

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 83.0 (°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:0000498 | high-resolution mass spectrometry (HRMS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000470 | mass spectrometry (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: 10.6084/m9.figshare.20329459.v1
title: Additional file 3 of Genome-wide identification of resistance genes and transcriptome regulation in yeast to accommodate ammonium toxicity

description: Additional file 3: Table S2. GO and KEGG-enriched gene list for the 34 NH4Cl-sensitive mutants.
DOI: 10.14272/buqphxbxkagzrz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C11H13BrO3/c1-4-15-11(13)8-5-7(2)10(12)9(6-8)14-3/h5-6H,4H2,1-3H3

description: dataset for mass spectrometry (MS)
 
 MS (EI, 70 eV, 20 °C), m/z (%): 272/274 (100/94) [M]+, 246 (23), 244 (25), 229 (86), 228 (13), 227 (82), 105 (13), 90 (13), 77 (24)
DOI: 10.14272/buqphxbxkagzrz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C11H13BrO3/c1-4-15-11(13)8-5-7(2)10(12)9(6-8)14-3/h5-6H,4H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 7.56–7.53 (m, J = 1.2 Hz, 1H), 7.38 (d, J = 1.3 Hz, 1H), 4.37 (q, J = 7.2 Hz, 2H), 3.94 (s, 3H), 2.45 (s, 3H), 1.40 (t, J = 7.2 Hz, 3H).
DOI: 10.14272/buqphxbxkagzrz-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C11H13BrO3/c1-4-15-11(13)8-5-7(2)10(12)9(6-8)14-3/h5-6H,4H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 3090 (w), 2996 (w), 2971 (w), 2950 (w), 2930 (w), 2917 (w), 2907 (w), 2872 (w), 2866 (w), 2839 (w), 1706 (s), 1582 (m), 1463 (s), 1426 (w), 1401 (m), 1378 (w), 1368 (m), 1321 (s), 1292 (s), 1230 (vs), 1187 (m), 1125 (m), 1115 (s), 1082 (vs), 1036 (s), 1020 (vs), 997 (vs), 948 (s), 925 (s), 880 (s), 867 (s), 812 (w), 762 (vs), 705 (w), 637 (m), 573 (w), 560 (w), 519 (w), 464 (w), 435 (w) cm–1.
DOI: 10.14272/buqphxbxkagzrz-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C11H13BrO3/c1-4-15-11(13)8-5-7(2)10(12)9(6-8)14-3/h5-6H,4H2,1-3H3

description: dataset for high-resolution mass spectrometry (HRMS)
 
 HRMS (C11H13BrO3): [M]+ calcd 272.0043; found 272.0042.
DOI: 10.14272/buqphxbxkagzrz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C11H13BrO3/c1-4-15-11(13)8-5-7(2)10(12)9(6-8)14-3/h5-6H,4H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (100 MHz, Chloroform-d [77.2 ppm], ppm) δ = 166.3, 156.1, 139.9, 129.9, 124.0, 119.9, 109.7, 61.4, 56.7, 23.5, 14.5.
DOI: 10.6084/m9.figshare.20329456
title: Additional file 2 of Genome-wide identification of resistance genes and transcriptome regulation in yeast to accommodate ammonium toxicity

description: Additional file 2: Table S1. Data from three independent genome-wide screening experiments.
DOI: 10.6084/m9.figshare.7222430.v1
title: Additional file 1: of A combined small RNA and transcriptome sequencing analysis reveal regulatory roles of miRNAs during anther development of Upland cotton carrying cytoplasmic male sterile Gossypium harknessii (D2) cytoplasm

description: Table S1. Information of differentially expressed genes in A, B, and R lines. (XLSX 488Â kb)
DOI: 10.14272/lvhdphzxhagspt-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4,4,5,5-tetramethyl-2-[3,6,8-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-1-yl]-1,3,2-dioxaborolane)
title: InChI=1S/C40H54B4O8/c1-33(2)34(3,4)46-41(45-33)27-21-28(42-47-35(5,6)36(7,8)48-42)24-19-20-26-30(44-51-39(13,14)40(15,16)52-44)22-29(25-18-17-23(27)31(24)32(25)26)43-49-37(9,10)38(11,12)50-43/h17-22H,1-16H3

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 2977 (w), 2930 (vw), 1607 (vw), 1551 (w), 1510 (w), 1465 (vw), 1370 (w), 1337 (vs), 1321 (vs), 1294 (s), 1267 (s), 1211 (w), 1139 (vs), 1084 (s), 1018 (m), 962 (w), 855 (s), 834 (w), 791 (w), 740 (vw), 663 (m), 581 (vw), 431 (vw) cm–1.
DOI: 10.14272/lvhdphzxhagspt-uhfffaoysa-n.1
title: 4,4,5,5-tetramethyl-2-[3,6,8-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-1-yl]-1,3,2-dioxaborolane
title: InChI=1S/C40H54B4O8/c1-33(2)34(3,4)46-41(45-33)27-21-28(42-47-35(5,6)36(7,8)48-42)24-19-20-26-30(44-51-39(13,14)40(15,16)52-44)22-29(25-18-17-23(27)31(24)32(25)26)43-49-37(9,10)38(11,12)50-43/h17-22H,1-16H3

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/C40H54B4O8/c1-33(2)34(3,4)46-41(45-33)27-21-28(42-47-35(5,6)36(7,8)48-42)24-19-20-26-30(44-51-39(13,14)40(15,16)52-44)22-29(25-18-17-23(27)31(24)32(25)26)43-49-37(9,10)38(11,12)50-43/h17-22H,1-16H3, and canonical SMILES descriptor[cheminf_000007]: CC1(C)OB(OC1(C)C)c1cc(B2OC(C(O2)(C)C)(C)C)c2c3c1ccc1c3c(cc2)c(cc1B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C, and by the IUPAC name[cheminf_000107]: 4,4,5,5-tetramethyl-2-[3,6,8-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-1-yl]-1,3,2-dioxaborolane.
 
 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-37608

 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)
 
 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/lvhdphzxhagspt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4,4,5,5-tetramethyl-2-[3,6,8-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-1-yl]-1,3,2-dioxaborolane)
title: InChI=1S/C40H54B4O8/c1-33(2)34(3,4)46-41(45-33)27-21-28(42-47-35(5,6)36(7,8)48-42)24-19-20-26-30(44-51-39(13,14)40(15,16)52-44)22-29(25-18-17-23(27)31(24)32(25)26)43-49-37(9,10)38(11,12)50-43/h17-22H,1-16H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 9.16 (s, 4H), 8.99 (s, 2H), 1.50 (s, 48H).
DOI: 10.6084/m9.figshare.20329438.v1
title: Additional file 1 of Identification and validation of necroptosis-related prognostic gene signature and tumor immune microenvironment infiltration characterization in esophageal carcinoma

description: Additional file 1: Table S1. 159 NRGs from KEGG in EC.
DOI: 10.14272/lvhdphzxhagspt-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4,4,5,5-tetramethyl-2-[3,6,8-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-1-yl]-1,3,2-dioxaborolane)
title: InChI=1S/C40H54B4O8/c1-33(2)34(3,4)46-41(45-33)27-21-28(42-47-35(5,6)36(7,8)48-42)24-19-20-26-30(44-51-39(13,14)40(15,16)52-44)22-29(25-18-17-23(27)31(24)32(25)26)43-49-37(9,10)38(11,12)50-43/h17-22H,1-16H3

description: dataset for mass spectrometry (MS)
 
 MS (EI, 70 eV, 20°C), m/z (%): 706 (28) [M]+, 581 (34), 580 (86), 579 (55), 195 (36), 155 (25), 154 (94), 138 (42), 137 (70), 136 (100), 107 (38), 101 (69), 91 (26), 90 (23), 89 (46).HRMS (C40H54B4O8): calcd 706.4185; found 706.4187.