cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.10012817.v5
title: Hidalgo et al., Dysb1 mutant behaviour and neurochemistry analysis

description: Data available for Hidalgo et al. on Dysb1 mutant characterization in behaviour and neurochemistry. Raw data and statistical analysis applied are included.<br>
DOI: 10.14272/fzskuianbtuijw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-methyl-1-(4-phenylphenyl)propan-1-one)
title: InChI=1S/C16H16O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 30 °C): 224 (25) [M+], 182 (14) [M+ – C3H7 + H], 181 (100) [M+ – C3H7], 153 (17) [M+ – C4H7O + H], 152 (29) [M+ – C4H7O]. HRMS–EI (m/z): [M]+ calcd for C16H16O, 224.1201; found, 224.1200.
DOI: 10.14272/fzskuianbtuijw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-methyl-1-(4-phenylphenyl)propan-1-one)
title: InChI=1S/C16H16O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.07–8.04 (m,2H, CarH), 7.72–7.69 (m, 2H, CarH), 7.66–7.63 (m, 2H, CarH), 7.51–7.47 (m, 2H, CarH), 7.43–7.39 (m, 1H, CarH), 3.61 (sept, J = 6.8 Hz, 1H, CH(CH3)2), 1.27 (d, J = 6.8 Hz, 6H, CH3).
DOI: 10.6084/m9.figshare.10012442
title: F1000 1990 Ghazaryan et al Raw Data miRNA.xlsx

description: Raw Data miRNA
DOI: 10.14272/fzskuianbtuijw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-methyl-1-(4-phenylphenyl)propan-1-one)
title: InChI=1S/C16H16O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 204.0 (1C, CO), 145.4 (1C, Cq), 139.9 (1C, Cq), 134.8 (1C, Cq), 128.9 (2C, CarH), 128.9 (2C, CarH), 128.1 (1C, CarH), 127.2 (2C, CarH), 127.2 (2C, CarH), 35.4 (1C, CH(CH3)2), 19.2 (2C, CH3).
DOI: 10.14272/mrsistchayippb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]phenyl]propan-1-one)
title: InChI=1S/C20H22O2/c1-13(2)19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14(3)4/h5-14H,1-4H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 80 °C): 294 (22) [M+], 293 (17) [M+ – H], 252 (19) [M+ – C3H7 + H], 251 (100) [M+ – C3H7], 180 (24) [M+ – C4H7O – C3H7], 152 (10) [M+ – 2 C4H7O]. HRMS–EI (m/z): [M]+ calcd for C20H22O2, 294.1620; found, 294.1621.
DOI: 10.14272/fzskuianbtuijw-uhfffaoysa-n.1
title: 2-methyl-1-(4-phenylphenyl)propan-1-one
title: InChI=1S/C16H16O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3

description: This dataset contains experimental data from a sample (2-methyl-1-(4-phenylphenyl)propan-1-one, InChI=1S/C16H16O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/fzskuianbtuijw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-methyl-1-(4-phenylphenyl)propan-1-one)
title: InChI=1S/C16H16O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2970 (w), 2932 (w), 2897 (vw), 2871 (w), 1672 (vs), 1599 (s), 1581 (w), 1560 (w), 1524 (vw), 1487 (w), 1462 (m), 1451 (w), 1404 (w), 1383 (m), 1368 (w), 1346 (w), 1290 (w), 1271 (w), 1230 (vs), 1208 (s), 1159 (s), 1128 (w), 1106 (w), 1079 (w), 1021 (w), 1004 (vw), 993 (w), 979 (vs), 919 (w), 870 (w), 853 (s), 781 (m), 766 (w), 741 (vs), 693 (vs), 639 (w), 628 (w), 613 (vw), 499 (w), 458 (w), 408 (vw) cm–1.
DOI: 10.6084/m9.figshare.10012313
title: Supplemental Table 1

description: Demographic, clinical, biochemical, immunohistochemical and molecular characteristics of 251 patients with pituitary neuroendocrine tumors
DOI: 10.14272/mrsistchayippb-uhfffaoysa-n.1
title: 2-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]phenyl]propan-1-one
title: InChI=1S/C20H22O2/c1-13(2)19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14(3)4/h5-14H,1-4H3

description: This dataset contains experimental data from a sample (2-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]phenyl]propan-1-one, InChI=1S/C20H22O2/c1-13(2)19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14(3)4/h5-14H,1-4H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.6084/m9.figshare.10012292
title: Supplementary Material for: Treatment of Intermediate-Stage Hepatocellular Carcinoma in Japan: Position of Curative Therapies

description: <b><i>Background:</i></b> Transcatheter arterial chemoembolization (TACE) is the standard therapy for intermediate-stage (IM) hepatocellular carcinoma (HCC). However, IM-HCC includes various clinical conditions, and various therapies were conducted in practice. In this study, we retrospectively analyzed the actually conducted treatments for IM-HCC and their efficacies to elucidate the treatment strategies suitable for IM-HCC. <b><i>Methods:</i></b> This study included 627 IM-HCC of 5,260 HCC from 9 hospitals. We examined the treatment strategies of these patients and analyzed the efficacy of each therapy with the Cox proportional hazard model and propensity score-matched analysis. <b><i>Results:</i></b> Liver resection, radiofrequency ablation (RFA), and TACE were performed in 165, 108, and 351 patients, respectively. Liver resection and RFA were preferably selected in cases of Barcelona Clinic Liver Cancer (BCLC)-B1/B2, and patient survival was significantly longer than in those treated with TACE (<i>p</i>&lt; 0.0001). However, no beneficial effect of these active therapies was observed in cases of BCLC-B3/B4. Multivariate analysis revealed that surgical resection (hazard ratio = 0.384) and RFA (hazard ratio = 0.597) were negative risk factors for survival. Propensity score-matching analysis revealed that ­survival of RFA-treated patients was longer than that of TACE-treated patients (<i>p</i> = 0.036). <b><i>Conclusion:</i></b> RFA and surgical resection were effective for IM-HCC, particularly in BCLC-B1/B2 cases.
DOI: 10.14272/mrsistchayippb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]phenyl]propan-1-one)
title: InChI=1S/C20H22O2/c1-13(2)19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14(3)4/h5-14H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 203.9 (2C, CO), 144.1 (2C, Cq), 135.5 (2C, Cq), 129.0 (4C, CarH), 127.4 (4C, CarH), 35.5 (2C, CH(CH3)2), 19.1 (4C, CH3).
DOI: 10.6084/m9.figshare.10012313.v1
title: Supplemental Table 1

description: Demographic, clinical, biochemical, immunohistochemical and molecular characteristics of 251 patients with pituitary neuroendocrine tumors
DOI: 10.14272/mrsistchayippb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]phenyl]propan-1-one)
title: InChI=1S/C20H22O2/c1-13(2)19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14(3)4/h5-14H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.09–8.05 (m, 4H, CarH), 7.75–7.72 (m, 4H, CarH), 3.60 (sept, J = 6.8 Hz, 2H, CH(CH3)2), 1.26 (d, J = 6.8 Hz, 12H, CH3).
DOI: 10.6084/m9.figshare.10012280
title: Supplementary Material for: Single versus Multiple Level Sectioning for the Subtyping of Basal-Cell Carcinoma: A Retrospective Study

description: <b><i>Background:</i></b> The histological subtype of basal-cell carcinoma (BCC) is often based on a punch biopsy; only a small part is evaluated, possibly leading to misclassification. Consensus on the optimal approach to process punch biopsies is lacking, though accurate subtyping is important for appropriate treatment. <b><i>Objective:</i></b> The aim is to investigate whether evaluating 4 levels of a punch biopsy instead of 1 or 2 levels leads to more accurate subtyping of BCC. <b><i>Methods:</i></b> In a retrospective study we evaluated 87 punch biopsies of histologically confirmed BCCs. The primary outcome was the proportion of “more aggressive” BCCs (nonsuperficial vs. superficial, infiltrative vs. nodular subtype) that was missed by evaluation on 1 or 2 levels, using 4-level diagnosis as reference standard. <b><i>Results:</i></b> Eighty-five cases were available for analysis. Subtyping based on 1 level resulted in discrepancies with 4-level diagnosis in 16.5% of all cases. Underdiagnosis occurred in 14 of 58 nonsuperficial BCCs (24.1%, 95% CI: 13.9–37.2). Seven of 38 nodular BCCs (18.4%, 95% CI: 7.74–34.3) were diagnosed as superficial in 1 level, and 7 of 20 infiltrative BCCs (35%, 95% CI: 15.4–59.2) were diagnosed as superficial (<i>n</i> = 2) or nodular (<i>n</i> = 5) in 1 level. <b><i>Conclusion:</i></b> In order to maximize correct subtyping and plan appropriate treatment, we advise to evaluate at least 2, but preferably more, levels of a punch biopsy to determine the BCC subtype.
DOI: 10.14272/mrsistchayippb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]phenyl]propan-1-one)
title: InChI=1S/C20H22O2/c1-13(2)19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14(3)4/h5-14H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2969 (m), 2934 (w), 2871 (w), 2827 (vw), 1674 (vs), 1602 (s), 1553 (w), 1465 (m), 1398 (w), 1381 (s), 1363 (w), 1350 (m), 1293 (w), 1281 (w), 1221 (vs), 1159 (s), 1136 (w), 1123 (w), 1102 (w), 1085 (w), 1026 (w), 1001 (w), 976 (vs), 935 (w), 866 (m), 833 (vs), 789 (w), 768 (w), 748 (vs), 694 (m), 642 (m), 548 (w), 526 (vw), 484 (m), 462 (w), 418 (vw), 407 (vw) cm–1.
DOI: 10.6084/m9.figshare.10012442.v1
title: F1000 1990 Ghazaryan et al Raw Data miRNA.xlsx

description: Raw Data miRNA
DOI: 10.6084/m9.figshare.10012280.v2
title: Supplementary Material for: Single versus Multiple Level Sectioning for the Subtyping of Basal-Cell Carcinoma: A Retrospective Study

description: <b><i>Background:</i></b> The histological subtype of basal-cell carcinoma (BCC) is often based on a punch biopsy; only a small part is evaluated, possibly leading to misclassification. Consensus on the optimal approach to process punch biopsies is lacking, though accurate subtyping is important for appropriate treatment. <b><i>Objective:</i></b> The aim is to investigate whether evaluating 4 levels of a punch biopsy instead of 1 or 2 levels leads to more accurate subtyping of BCC. <b><i>Methods:</i></b> In a retrospective study we evaluated 87 punch biopsies of histologically confirmed BCCs. The primary outcome was the proportion of “more aggressive” BCCs (nonsuperficial vs. superficial, infiltrative vs. nodular subtype) that was missed by evaluation on 1 or 2 levels, using 4-level diagnosis as reference standard. <b><i>Results:</i></b> Eighty-five cases were available for analysis. Subtyping based on 1 level resulted in discrepancies with 4-level diagnosis in 16.5% of all cases. Underdiagnosis occurred in 14 of 58 nonsuperficial BCCs (24.1%, 95% CI: 13.9–37.2). Seven of 38 nodular BCCs (18.4%, 95% CI: 7.74–34.3) were diagnosed as superficial in 1 level, and 7 of 20 infiltrative BCCs (35%, 95% CI: 15.4–59.2) were diagnosed as superficial (<i>n</i> = 2) or nodular (<i>n</i> = 5) in 1 level. <b><i>Conclusion:</i></b> In order to maximize correct subtyping and plan appropriate treatment, we advise to evaluate at least 2, but preferably more, levels of a punch biopsy to determine the BCC subtype.
DOI: 10.6084/m9.figshare.10012442.v2
title: F1000 1990 Ghazaryan et al Raw Data miRNA.xlsx

description: Raw Data miRNA
DOI: 10.6084/m9.figshare.10012280.v1
title: Supplementary Material for: Single versus Multiple Level Sectioning for the Subtyping of Basal-Cell Carcinoma: A Retrospective Study

description: <b><i>Background:</i></b> The histological subtype of basal-cell carcinoma (BCC) is often based on a punch biopsy; only a small part is evaluated, possibly leading to misclassification. Consensus on the optimal approach to process punch biopsies is lacking, though accurate subtyping is important for appropriate treatment. <b><i>Objective:</i></b> The aim is to investigate whether evaluating 4 levels of a punch biopsy instead of 1 or 2 levels leads to more accurate subtyping of BCC. <b><i>Methods:</i></b> In a retrospective study we evaluated 87 punch biopsies of histologically confirmed BCCs. The primary outcome was the proportion of “more aggressive” BCCs (nonsuperficial vs. superficial, infiltrative vs. nodular subtype) that was missed by evaluation on 1 or 2 levels, using 4-level diagnosis as reference standard. <b><i>Results:</i></b> Eighty-five cases were available for analysis. Subtyping based on 1 level resulted in discrepancies with 4-level diagnosis in 16.5% of all cases. Underdiagnosis occurred in 14 of 58 nonsuperficial BCCs (24.1%, 95% CI: 13.9–37.2). Seven of 38 nodular BCCs (18.4%, 95% CI: 7.74–34.3) were diagnosed as superficial in 1 level, and 7 of 20 infiltrative BCCs (35%, 95% CI: 15.4–59.2) were diagnosed as superficial (<i>n</i> = 2) or nodular (<i>n</i> = 5) in 1 level. <b><i>Conclusion:</i></b> In order to maximize correct subtyping and plan appropriate treatment, we advise to evaluate at least 2, but preferably more, levels of a punch biopsy to determine the BCC subtype.
DOI: 10.14272/xsvglmqqymqctr-uhfffaoysa-n.2
title: 1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone
title: InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3

description: This dataset contains experimental data from a sample (1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone, InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3). 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/xsvglmqqymqctr-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone)
title: InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3438 (w), 3053 (w), 1673 (vs), 1599 (vs), 1562 (m), 1442 (w), 1422 (w), 1391 (m), 1357 (vs), 1310 (w), 1271 (vs), 1244 (vs), 1186 (m), 1119 (w), 1074 (w), 1013 (w), 953 (m), 899 (w), 884 (w), 815 (vs), 762 (w), 738 (w), 710 (s), 698 (m), 635 (w), 611 (m), 591 (vs), 486 (s), 470 (m), 441 (m), 424 (m) cm–1.
DOI: 10.14272/xsvglmqqymqctr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone)
title: InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.11–8.09 (m, 6H, CarH), 7.88 (s, 3H, CarH), 7.82–7.80 (m, 6H, CarH), 2.68 (s, 9H, CH3).
DOI: 10.14272/xsvglmqqymqctr-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone)
title: InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 433 [M+ + H], 397 [M+ – 2 H2O + H], 355 [M+ – 2 OH – C2H3O]. HRMS–FAB (m/z): [M + H]+ calcd for C30H25O3, 433.1804; found, 433.1805.
DOI: 10.14272/xsvglmqqymqctr-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone)
title: InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 197.7 (3C, CO), 145.0 (3C, Cq), 141.5 (3C, Cq), 136.3 (3C, Cq), 129.0 (6C, CarH), 127.5 (6C, CarH), 126.1 (3C, CarH), 26.7 (3C, CH3).
DOI: 10.14272/slqilmmsnmtaqu-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,3,5-tris(4-ethenylphenyl)benzene)
title: InChI=1S/C30H24/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h4-21H,1-3H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 141.9 (3C, Cq), 140.4 (3C, Cq), 136.9 (3C, Cq), 136.3 (3C, CHCH2), 127.4 (6C, CarH), 126.7 (6C, CarH), 124.8 (3C, CarH), 114.1 (3C, CHCH2). Impurities: This spectrum contains impurities at and around 29.6 ppm due to polymerization of the compound.
DOI: 10.14272/slqilmmsnmtaqu-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1,3,5-tris(4-ethenylphenyl)benzene)
title: InChI=1S/C30H24/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h4-21H,1-3H2

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 130 °C): 384 (35) [M+], 331 (7) [M+ – 2 C2H3 + H], 322 (21) [C25H22+], 281 (6) [M+ – C8H7], 262 (6), 243 (8) [M+ – C11H9], 231 (13). HRMS–EI (m/z): [M]+ calcd for C30H24, 384.1873; found 384.1874.
DOI: 10.14272/slqilmmsnmtaqu-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1,3,5-tris(4-ethenylphenyl)benzene)
title: InChI=1S/C30H24/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h4-21H,1-3H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3081 (w), 3054 (vw), 3031 (w), 3003 (w), 2982 (w), 2952 (w), 2919 (w), 2850 (w), 1628 (w), 1594 (m), 1509 (m), 1459 (w), 1441 (w), 1407 (w), 1390 (w), 1358 (w), 1293 (w), 1275 (w), 1261 (vw), 1248 (vw), 1207 (w), 1119 (w), 1028 (w), 1013 (w), 987 (m), 905 (s), 833 (vs), 747 (m), 700 (m), 647 (w), 601 (w), 572 (w), 557 (w), 541 (w), 530 (w), 480 (w), 460 (m), 425 (w), 407 (w), 395 (w), 377 (w) cm–1.
DOI: 10.14272/slqilmmsnmtaqu-uhfffaoysa-n.1
title: 1,3,5-tris(4-ethenylphenyl)benzene
title: InChI=1S/C30H24/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h4-21H,1-3H2

description: This dataset contains experimental data from a sample (1,3,5-tris(4-ethenylphenyl)benzene, InChI=1S/C30H24/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h4-21H,1-3H2). The datasets from the following experiments are available: mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR)
DOI: 10.14272/slqilmmsnmtaqu-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,3,5-tris(4-ethenylphenyl)benzene)
title: InChI=1S/C30H24/c1-4-22-7-13-25(14-8-22)28-19-29(26-15-9-23(5-2)10-16-26)21-30(20-28)27-17-11-24(6-3)12-18-27/h4-21H,1-3H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.80 (s, 3H, CarH), 7.69 (d, J = 8.3 Hz, 6H, CarH), 7.55 (d, J = 8.3 Hz, 6H, CarH), 6.81 (dd, J = 10.9 Hz, J = 17.6 Hz, 3H, CHCH2), 5.84 (d, J = 17.7 Hz, 3H, CHHcis), 5.32 (d, J = 11.0 Hz, 3H, CHHtrans). Impurities: This spectrum contains around 10% impurities in the region of 1.70 ppm to 0.70 ppm due to polymerization of the compound.
DOI: 10.6084/m9.figshare.10012160
title: Supplementary Material for: Single-Cell Sequencing Reveals the Relationship between Phenotypes and Genotypes of Klinefelter Syndrome

description: Klinefelter syndrome (KS) is one of the most common congenital disorders of male infertility. Given its high heterogeneity in clinical and genetic presentation, the relationship between transcriptome, clinical phenotype, and associated co-morbidities seen in KS has not been fully clarified. Here, we report a 47,XXY Chinese male with infertility and analyzed the differences in gene expression patterns of peripheral blood mononuclear cells (PBMCs) with regard to a Chinese male and a female control with normal karyotype by single-cell sequencing. A total of 24,439 cells were analyzed and divided into 5 immune cell types (including B cells, T cells, macrophage cells, dendritic cells, and natural killer cells) according to marker genes. Using unsupervised dimensionality reduction and clustering algorithms, we identified molecularly distinct subpopulations of cells between the KS patient and both controls. Gene ontology enrichment analyses yielded terms associated with well-known comorbidities seen in KS as well as an affected immune system and type I diabetes mellitus. Based on our data, we identified several candidate genes which may be implicated in regulating the phenotype of KS. Overall, this analysis provides a comprehensive map of the cell types of PBMCs in a KS patient at the single-cell level, which will contribute to the prevention of comorbidity and improvement of the life quality of KS patients.
DOI: 10.14272/imwdmlsokbifmm-uhfffaoysa-n.1
title: 1-(2-chloro-2-methylpropyl)-4-phenylbenzene
title: InChI=1S/C16H17Cl/c1-16(2,17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3

description: This dataset contains experimental data from a sample (1-(2-chloro-2-methylpropyl)-4-phenylbenzene, InChI=1S/C16H17Cl/c1-16(2,17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3). The datasets from the following experiments are available: mass spectrometry (MS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/imwdmlsokbifmm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(2-chloro-2-methylpropyl)-4-phenylbenzene)
title: InChI=1S/C16H17Cl/c1-16(2,17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.63–7.60 (m, 2H, CarH), 7.58–7.55 (m, 2H, CarH), 7.48–7.44 (m, 2H, CarH), 7.38–7.34 (m, 3H, CarH), 3.13 (s, 2H, CH2), 1.63 (s, 6H, CH3).