cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.7648508.v1
title: Additional file 1: of Quantitative approaches to variant classification increase the yield and precision of genetic testing in Mendelian diseases: the case of hypertrophic cardiomyopathy

description: Supplementary tables S1-S7. (XLSX 38 kb)
DOI: 10.6084/m9.figshare.8172752.v1
title: Additional file 1: of The prognostic value of tumor-infiltrating lymphocytes in colorectal cancer differs by anatomical subsite: a systematic review and meta-analysis

description: Table S1. General characteristics of the studies included in this meta-analysis (XLSX 15 kb)
DOI: 10.6084/m9.figshare.12891369
title: Additional file 1 of LncRNA TTN-AS1 promotes the progression of oral squamous cell carcinoma via miR-411-3p/NFAT5 axis

description: Additional file 1: Sequence for all plasmids used in current study.
DOI: 10.6084/m9.figshare.8172755
title: Additional file 2: of The prognostic value of tumor-infiltrating lymphocytes in colorectal cancer differs by anatomical subsite: a systematic review and meta-analysis

description: Table S2. The quality assessment of all included studies in this meta-analysis (XLSX 12 kb)
DOI: 10.6084/m9.figshare.12891369.v1
title: Additional file 1 of LncRNA TTN-AS1 promotes the progression of oral squamous cell carcinoma via miR-411-3p/NFAT5 axis

description: Additional file 1: Sequence for all plasmids used in current study.
DOI: 10.6084/m9.figshare.12891400
title: Additional file 1 of Neuroprotective effect of astrocyte-derived IL-33 in neonatal hypoxic-ischemic brain injury

description: Additional file 1: Supplementary Fig. S1. mRNA expression of neurotrophic factors GDNF and PSPN in HI brain tissue of neonatal mice with or without IL-33 treatment for 3 days. Data are mean ± SEM (n = 3 in each group). *P &lt; 0.05 compared to untreated controls
DOI: 10.6084/m9.figshare.13939893.v1
title: Additional file 4 of ESCO2 promotes lung adenocarcinoma progression by regulating hnRNPA1 acetylation

description: Additional file 4: Supplementary Table S2.
DOI: 10.6084/m9.figshare.13939893
title: Additional file 4 of ESCO2 promotes lung adenocarcinoma progression by regulating hnRNPA1 acetylation

description: Additional file 4: Supplementary Table S2.
DOI: 10.6084/m9.figshare.12891387.v1
title: Additional file 1 of The treatment strategy of R0 resection in colorectal cancer with synchronous para-aortic lymph node metastasis

description: Additional file 1.
DOI: 10.5281/zenodo.10669852
title: RCC-Finder
DOI: 10.5281/zenodo.10669853
title: RCC-Finder
DOI: 10.34740/kaggle/dsv/7636318
title: 📒 Meta Kaggle ported to MS SQL SERVER 2022 DB
DOI: 10.6084/m9.figshare.14984997
title: Additional file 1 of Haplotype-resolved germline and somatic alterations in renal medullary carcinomas

description: Additional file 1: Tables S1-S10. Supplementary tables include the following: clinical info (Table S1), inferred sex (Table S2), Longranger statistics (Table S3), germline variants (Table S4), SMARCB1 SVs (Table S5), somatic variants (Table S6), sickle cell locus (Table S7), HBB variants (Table S8), breakpoint repeats (Table S9), and breakpoint microhomology (Table S10). Legends for each table are included at the top of each table in the Microsoft Excel file.
DOI: 10.48323/27e9c-wxc57
title: MS_Eclipse_2023_May
DOI: 10.14272/pvxvetmdfuegcn-uhfffaoysa-n.1
title: 2-methyl-2-(2-methyl-1H-indol-3-yl)-1H-indol-3-one
title: InChI=1S/C18H16N2O/c1-11-16(12-7-3-5-9-14(12)19-11)18(2)17(21)13-8-4-6-10-15(13)20-18/h3-10,19-20H,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/C18H16N2O/c1-11-16(12-7-3-5-9-14(12)19-11)18(2)17(21)13-8-4-6-10-15(13)20-18/h3-10,19-20H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Cc1[nH]c2c(c1C1(C)Nc3c(C1=O)cccc3)cccc2, and by the IUPAC name[cheminf_000107]: 2-methyl-2-(2-methyl-1H-indol-3-yl)-1H-indol-3-one. 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-34166 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) 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/pvxvetmdfuegcn-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-methyl-2-(2-methyl-1H-indol-3-yl)-1H-indol-3-one)
title: InChI=1S/C18H16N2O/c1-11-16(12-7-3-5-9-14(12)19-11)18(2)17(21)13-8-4-6-10-15(13)20-18/h3-10,19-20H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13 C NMR (100.6 MHz, DMSO-d6, ppm) δ = 203.9 (C-3), 159.9 (C-7a), 137.5 (C-6), 134.7 (C-7a’), 133.0 (C-2’), 127.2 (C-3a’), 124.4 (C-4), 120.0 (C-6’), 119.4 (C-4’), 118.4 (C-5’), 117.7 (C-3a), 117.0 (C-5), 111.8 (C-7), 110.5 (C-7’), 108.5 (C-3’), 66.2 (C-2), 24.4 (2–CH3 ), 14.0 (2’–CH3 )
DOI: 10.14272/pvxvetmdfuegcn-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-methyl-2-(2-methyl-1H-indol-3-yl)-1H-indol-3-one)
title: InChI=1S/C18H16N2O/c1-11-16(12-7-3-5-9-14(12)19-11)18(2)17(21)13-8-4-6-10-15(13)20-18/h3-10,19-20H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6, ppm) δ = 10.88 (s, 1H, H-1’), 7.72 (s, 1H, H-1), 7.49 (ddd, J = 8.3, 7.0, 1.4 Hz, 1H, H-6), 7.47–7.43 (m, 1H, H-4), 7.28–7.18 (m, 2H, H-4’, H-7’), 6.94 (ddd, J = 8.1, 7.0, 1.1 Hz, 1H, H-6’), 6.88 (dd, J = 8.3, 0.9 Hz, 1H, H-7), 6.79 (ddd, J = 8.1, 7.1, 1.2 Hz, 1H, H-5’), 6.71 (ddd, J = 7.9, 7.0, 0.9 Hz, 1H, H-5), 2.39 (s, 3H, 2’-CH3 ), 1.74 (s, 3H, 2-CH3). Impurities: dichloromethane at 5.76 ppm.
DOI: 10.14272/frevboafrvsaij-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C23H35N2O7P/c1-7-29-21(26)20(33(28,30-8-2)31-9-3)19-17(16-12-10-11-13-18(16)25-19)14-15-24-22(27)32-23(4,5)6/h10-13,20,25H,7-9,14-15H2,1-6H3,(H,24,27)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13 C NMR (100.6 MHz, CDCl3, ppm) δ = 167.1 (d, JCP = 3.0 Hz, CO2Et), 156.1 (CO2NH), 135.9 (C-7a’), 127.7 (C-3a’), 123.9 (d, JCP = 11.0 Hz, C-2’), 122.5 (C-6’), 119.7 (C-5’), 119.0 (C-4’), 112.1 (C-3’), 111.4 (C-7’), 79.1 (C(CH3)3), 63.8 (pseudo-t, JCP ≈ 6.0 Hz, 2C, PO(OCH2CH3)2), 62.5 (CO 2CH2 CH3), 43.7 (d, JCP = 133.7 Hz, C-2), 41.2 (NHCH2), 28.5 (C(CH3)3), 24.8 (NHCH2CH2), 16.5 (d, JCP = 6.0 Hz, PO(OCH2CH3)), 16.4 (d, JCP = 5.8 Hz, PO(O’C’H2C’H3)), 14.2 (CO 2CH2CH3).
DOI: 10.14272/frevboafrvsaij-uhfffaoysa-n.1
title: C23H35N2O7P
title: InChI=1S/C23H35N2O7P/c1-7-29-21(26)20(33(28,30-8-2)31-9-3)19-17(16-12-10-11-13-18(16)25-19)14-15-24-22(27)32-23(4,5)6/h10-13,20,25H,7-9,14-15H2,1-6H3,(H,24,27)

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/C23H35N2O7P/c1-7-29-21(26)20(33(28,30-8-2)31-9-3)19-17(16-12-10-11-13-18(16)25-19)14-15-24-22(27)32-23(4,5)6/h10-13,20,25H,7-9,14-15H2,1-6H3,(H,24,27), and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)C(P(=O)(OCC)OCC)c1[nH]c2c(c1CCNC(=O)OC(C)(C)C)cccc2, 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-34154 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 108.0 - 109.0 (°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) 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/frevboafrvsaij-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H35N2O7P/c1-7-29-21(26)20(33(28,30-8-2)31-9-3)19-17(16-12-10-11-13-18(16)25-19)14-15-24-22(27)32-23(4,5)6/h10-13,20,25H,7-9,14-15H2,1-6H3,(H,24,27)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1 H NMR (400 MHz, CDCl3, ppm) δ = 9.18 (s, 1H, H-1’), 7.58 (d, J = 7.9 Hz, 1H, H-4’), 7.38 (d, J = 8.1 Hz, 1H, H-7’), 7.20 (pseudo-t, J ≈ 8.0 Hz, 1H, H-5’), 7.10 (pseudo-t, J ≈ 8.0 Hz, 1H, H-6’), 4.87 (s, br, 1H, CO2NH), 4.59 (d, JHP = 23.7 Hz, 1H, H-2), 4.32–4.10 (m, 4H, PO(OCH2CH3), CO2CH2CH3), 4.10–3.98 (m, 1H, PO(O’C’H2aC’H3)), 3.91 (ddq, J = 10.2, 8.9, 7.1 Hz, 1H, PO(O’C’H2bC’H3)), 3.47–3.36 (m, 2H, Boc-NHCH2), 3.00–2.88 (m, 2H, (3-Ind)–CH2), 1.43 (s, 9H, C(CH3)3), 1.31 (t, J = 7.4 Hz, 3H, PO(OCH2CH3)), 1.29 (t, J = 7.2 Hz, 3H, CO2CH2CH3), 1.17 (t, J = 7.1 Hz, 3H, PO(O’C’H2C’H3).
DOI: 10.14272/pcldlwkakmkzfx-uhfffaoysa-n.1
title: ethyl 2-(3-(2-acetamidoethyl)-1H-indol-2-yl)-2-(diethoxyphosphoryl)acetate
title: InChI=1S/C20H29N2O6P/c1-5-26-20(24)19(29(25,27-6-2)28-7-3)18-16(12-13-21-14(4)23)15-10-8-9-11-17(15)22-18/h8-11,19,22H,5-7,12-13H2,1-4H3,(H,21,23)

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/C20H29N2O6P/c1-5-26-20(24)19(29(25,27-6-2)28-7-3)18-16(12-13-21-14(4)23)15-10-8-9-11-17(15)22-18/h8-11,19,22H,5-7,12-13H2,1-4H3,(H,21,23), and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)C(P(=O)(OCC)OCC)c1[nH]c2c(c1CCNC(=O)C)cccc2, 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-34158 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) 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/pcldlwkakmkzfx-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H29N2O6P/c1-5-26-20(24)19(29(25,27-6-2)28-7-3)18-16(12-13-21-14(4)23)15-10-8-9-11-17(15)22-18/h8-11,19,22H,5-7,12-13H2,1-4H3,(H,21,23)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100.6 MHz, DMSO-d6, ppm) δ = 169.2 (NCOMe), 166.5 (JCP = 2.7 Hz, CO2Et), 136.1 (C-7a’), 127.1 (d, JCP = 2.3 Hz, C-3a’), 124.2 (d, JCP = 10.4 Hz, C-2’), 121.3 (C-6’), 118.6 (C-5’), 118.1 (C-4’), 111.9 (C-7’), 111.3 (d, JCP = 8.8 Hz, C-3’), 63.0 (d, JCP = 6.4 Hz, PO(OCH2CH3)), 62.9 (d, JCP = 6.4 Hz, PO(O’C’H2C’H3)), 61.7 (CO2CH2CH3), 43.5 (d, JCP = 133.6 Hz, C-2), 39.6 (NHCH2), 23.9 ((3-Ind)-CH2), 22.7 (COCH3), 16.2 (d, JCP = 5.4 Hz, PO(OCH2CH3)), 16.1 (d, JCP = 5.3 Hz, PO(O’C’H2C’H3)), 13.9 (CO2CH2CH3).
DOI: 10.14272/pcldlwkakmkzfx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C20H29N2O6P/c1-5-26-20(24)19(29(25,27-6-2)28-7-3)18-16(12-13-21-14(4)23)15-10-8-9-11-17(15)22-18/h8-11,19,22H,5-7,12-13H2,1-4H3,(H,21,23)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6, ppm) δ = 10.61 (s, 1H, H-1’), 7.94 (t, J = 5.6 Hz, 1H, NHAc), 7.53 (d, J = 7.8 Hz, 1H, H-4’), 7.49 (d, J = 7.9 Hz, 1H, H-7’), 7.07 (pseudo-t, J ≈ 8.0 Hz, 1H, H-6’), 6.99 (pseudo-t, J ≈ 8.0 Hz, 1H, H-5’), 4.77 (d, JHP = 24.6 Hz, 1H, H-2), 4.26–4.13 (m, 2H, CO2CH2CH3), 4.08 (dq, J = 8.6, 7.0 Hz, 2H, PO(OCH2CH3)), 3.97 (ddq, J = 10.3, 8.1, 7.0 Hz, 1H, PO(O’C’H2aC’H3)), 3.86 (ddq, J = 10.3, 9.0, 7.0 Hz, 1H, PO(O’C’H2bC’H3 )), 3.30–3.15 (m, 2H, CH2NHAc), 2.85 (t, J = 7.3 Hz, 2H, (3-Ind)-CH2), 1.80 (s, 3H, COCH3), 1.23 (t, J = 7.0 Hz, 6H, PO(OCH2CH3), CO2CH2CH3), 1.09 (t, J = 7.0 Hz, 3H, PO(O’C’H2C’H3).
DOI: 10.14272/cbwrqooqzvgwjp-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H24NO6P/c1-5-22-17(19)16(25(20,23-6-2)24-7-3)15-11-12-10-13(21-4)8-9-14(12)18-15/h8-11,16,18H,5-7H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13 C NMR (100.6 MHz, DMSO-d6, ppm) δ = 166.4 (d, JCP = 3.1 Hz, CO2Et), 153.4 (C-5’), 131.2 (C-7a’), 128.3 (d, JCP = 9.3 Hz, C-2’), 127.9 (d, JCP = 2.7 Hz, C-3a’), 112.1 (C-7’), 111.3 (C-6’), 101.9 (d, JCP = 6.7 Hz, C-3’), 101.4 (C-4’), 62.9 (d, JCP = 6.6 Hz, PO(O’C’H2C’H3)), 62.8 (d, JCP = 7.0 Hz, PO(OCH2CH3)), 61.5 (CO2CH2CH3), 55.2 (OCH3), 45.5 (d, JCP = 132.8 Hz, C-2), 16.2 (d, JCP = 5.8 Hz, PO(OCH2CH3)), 16.1 (d, JCP = 5.8 Hz, PO(O’C’H2C’H3)), 13.9 (CO2CH2CH3).
DOI: 10.14272/cbwrqooqzvgwjp-uhfffaoysa-n.1
title: C17H24NO6P
title: InChI=1S/C17H24NO6P/c1-5-22-17(19)16(25(20,23-6-2)24-7-3)15-11-12-10-13(21-4)8-9-14(12)18-15/h8-11,16,18H,5-7H2,1-4H3

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/C17H24NO6P/c1-5-22-17(19)16(25(20,23-6-2)24-7-3)15-11-12-10-13(21-4)8-9-14(12)18-15/h8-11,16,18H,5-7H2,1-4H3, and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)C(P(=O)(OCC)OCC)c1cc2c([nH]1)ccc(c2)OC, 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-34162 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) 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/cbwrqooqzvgwjp-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H24NO6P/c1-5-22-17(19)16(25(20,23-6-2)24-7-3)15-11-12-10-13(21-4)8-9-14(12)18-15/h8-11,16,18H,5-7H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6, ppm) δ = 10.78 (d, J = 2.2 Hz, 1H, H-1’), 7.30 (d, J = 8.7 Hz, 1H, H-7’), 7.00 (d, J = 2.5 Hz, 1H, H-4’), 6.70 (dd, J = 8.8, 2.5 Hz, 1H, H-6’), 6.43 (pseudo-t, J ≈ 2.0 Hz, 1H, H-3’), 4.71 (d, JHP = 24.0 Hz, 1H, H-2), 4.23–4.11 (m, 2H, CO2CH2CH3 ), 4.09–3.87 (m, 4H, PO(OCH2CH3)2), 3.73 (s, 3H, OCH3), 1.22 (t, J = 7.1 Hz, 3H, CO2CH2CH3), 1.21 (t, J = 7.0 Hz, 3H, PO(OCH2CH3)), 1.12 (t, J = 7.1 Hz, 3H, PO(O’C’H2C’H3)).
DOI: 10.14272/lblpbduckuhmia-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (8-(2,2-dichloroacetyl)-5-hydroxy-2,7-dimethylnaphthalene-1,4-dione)
title: InChI=1S/C14H10Cl2O4/c1-5-3-7(17)10-8(18)4-6(2)12(19)11(10)9(5)13(20)14(15)16/h3-4,14,17H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 12.08 (s, 1H, OH), 7.18 (s, 1H, H-6), 6.84 (q, 4J = 1.6 Hz, 1H, H-3), 6.31 (s, 1H, CHCl2), 2.42 (s, 3H, CH3-7), 2.17 (d, 4J = 1.6 Hz, 3H, CH3-2).
DOI: 10.14272/lblpbduckuhmia-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (8-(2,2-dichloroacetyl)-5-hydroxy-2,7-dimethylnaphthalene-1,4-dione)
title: InChI=1S/C14H10Cl2O4/c1-5-3-7(17)10-8(18)4-6(2)12(19)11(10)9(5)13(20)14(15)16/h3-4,14,17H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100.6 MHz, CDCl3, ppm) δ = 192.0 (COCHCl2), 189.4 (C-4), 186.2 (C-1), 162.3 (C-5), 148.8 (C-2), 146.5 (C-7), 136.2 (C-3), 130.4 (C-8), 130.2 (C-8a), 126.2 (C-6), 112.9 (C-4a), 71.0 (CHCl2), 20.7 (CH3-7), 16.6 (CH3-2).
DOI: 10.14272/lblpbduckuhmia-uhfffaoysa-n.1
title: 8-(2,2-dichloroacetyl)-5-hydroxy-2,7-dimethylnaphthalene-1,4-dione
title: InChI=1S/C14H10Cl2O4/c1-5-3-7(17)10-8(18)4-6(2)12(19)11(10)9(5)13(20)14(15)16/h3-4,14,17H,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/C14H10Cl2O4/c1-5-3-7(17)10-8(18)4-6(2)12(19)11(10)9(5)13(20)14(15)16/h3-4,14,17H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: ClC(C(=O)c1c(C)cc(c2c1C(=O)C(=CC2=O)C)O)Cl, and by the IUPAC name[cheminf_000107]: 8-(2,2-dichloroacetyl)-5-hydroxy-2,7-dimethylnaphthalene-1,4-dione. 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-33248 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 198.3 - 199.7 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) 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: 10.5517/ccdc.csd.cc2bk3hj
title: CCDC 2161397: Experimental Crystal Structure Determination

description: Related Article: Mythili Aruchamy and Srinivasan Karuppannan|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.23301881
title: EVBattery: A Large-Scale Electric Vehicle Dataset for Battery Health and Capacity Estimation

description: Electric vehicles (EVs) play an important role in reducing carbon emissions. As EV adoption accelerates, safety issues caused by EV batteries have become an important research topic. In order to benchmark and develop data-driven methods for this task, we introduce a large and comprehensive dataset of EV batteries. Our dataset includes charging records collected from hundreds of EVs from three manufacturers over several years. <br> Meanwhile, our dataset features two types of labels, corresponding to two key tasks - battery health estimation and battery capacity estimation. We hope that this public dataset provides valuable resources for researchers, policymakers, and industry professionals to better understand the dynamics of EV battery aging and support the transition toward a sustainable transportation system.
DOI: 10.6084/m9.figshare.23301953
title: Data

description: 1. Diameter, mass, and copper content of light aggregate before sintering. 2. Diameter, mass, volume, density, and water absorption of light aggregate after sintering. 3. The leaching amount of heavy metals after the sintering of light aggregates.
DOI: 10.6084/m9.figshare.23301953.v1
title: Data

description: 1. Diameter, mass, and copper content of light aggregate before sintering. 2. Diameter, mass, volume, density, and water absorption of light aggregate after sintering. 3. The leaching amount of heavy metals after the sintering of light aggregates.
DOI: 10.25387/g3.22693411
title: Supplemental Material for Rondeau et al., 2023

description: SNPs (8383963) from 59 hatchery coho salmon from various locations. SNPs were called using GATK version 3.8 and hard filtered. Raw data and information about project can be found in NCBI under the BioProject accession PRJNA556729.
DOI: 10.25387/g3.22693411.v1
title: Supplemental Material for Rondeau et al., 2023

description: SNPs (8383963) from 59 hatchery coho salmon from various locations. SNPs were called using GATK version 3.8 and hard filtered. Raw data and information about project can be found in NCBI under the BioProject accession PRJNA556729.