cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.3754968
title: Data relating to Clyne et al. Quality, scope and reporting standards of randomised controlled trials in Irish Health Research: an observational study

description: Data relating to the study reported in the paper "Quality, scope and reporting standards of randomised controlled trials in Irish Health Research: an observational study".
DOI: 10.14272/ixmwrmwfcfdtke-hixpdhbdsa-n.1
title: C45H30N4O
title: InChI=1S/C45H30N4O/c50-28-32-18-10-11-19-33(32)45-40-26-24-38(48-40)43(30-14-6-2-7-15-30)36-22-20-34(46-36)42(29-12-4-1-5-13-29)35-21-23-37(47-35)44(31-16-8-3-9-17-31)39-25-27-41(45)49-39/h1-28,46,49H/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-

description: This dataset contains experimental data from a sample (InChI=1S/C45H30N4O/c50-28-32-18-10-11-19-33(32)45-40-26-24-38(48-40)43(30-14-6-2-7-15-30)36-22-20-34(46-36)42(29-12-4-1-5-13-29)35-21-23-37(47-35)44(31-16-8-3-9-17-31)39-25-27-41(45)49-39/h1-28,46,49H/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/ixmwrmwfcfdtke-hixpdhbdsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C45H30N4O/c50-28-32-18-10-11-19-33(32)45-40-26-24-38(48-40)43(30-14-6-2-7-15-30)36-22-20-34(46-36)42(29-12-4-1-5-13-29)35-21-23-37(47-35)44(31-16-8-3-9-17-31)39-25-27-41(45)49-39/h1-28,46,49H/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%) = 642.2 (100) [M]+, 419.3 (92). HRMS (C45H31O1N4): Calcd 643.2498, Found 643.2497.
DOI: 10.14272/ixmwrmwfcfdtke-hixpdhbdsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C45H30N4O/c50-28-32-18-10-11-19-33(32)45-40-26-24-38(48-40)43(30-14-6-2-7-15-30)36-22-20-34(46-36)42(29-12-4-1-5-13-29)35-21-23-37(47-35)44(31-16-8-3-9-17-31)39-25-27-41(45)49-39/h1-28,46,49H/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 9.52 (s, 1H, CHO), 8.93–8.86 (m, 6H, H2,3,7,13,17,18-pyrrole), 8.67 (d, 3J = 4.8 Hz, 2H, H8,12-pyrrole), 8.44 (dd, J = 7.6, 1.8, 1H, H10-3), 8.29–8.20 (m, 6H, H5-3,10-3,15-3), 8.29–8.20 (m, 1H, H10-6), 7.99–7.94 (m, 1H, H10-4), 7.94–7.90 (m, 1H, H10-5), 7.83–7.73 (m, 9H, H5-2,5-4,10-2,10-4,15-2,15-4), –2.67 (bs, 2H, NH). 5.31 (CH2Cl2), 1.53 (water), 1.45 (CHex), 1.28 (H grease), 0.94–0.82 (H grease), 0.08 (silicon grease) ppm do not belong to the molecule.
DOI: 10.14272/ixmwrmwfcfdtke-hixpdhbdsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C45H30N4O/c50-28-32-18-10-11-19-33(32)45-40-26-24-38(48-40)43(30-14-6-2-7-15-30)36-22-20-34(46-36)42(29-12-4-1-5-13-29)35-21-23-37(47-35)44(31-16-8-3-9-17-31)39-25-27-41(45)49-39/h1-28,46,49H/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 191.2 (+, CH, 1C, CHO), 145.6 (Cq, 1C, C10-1), 142.1 (Cq, 1C, C20-1), 142.0 (Cq, 2C, C5-1,15-1), 138.2 (Cq, 1C, C10-2), 135.8 (+, CH, 2C, C8,12), 134.7 (+, CH, 1C, C10-6), 134.7 (+, CH, 6C, C5-3,15-3,20-3), 131.9 (+,CH, 1C, C10-5), 131.5 (Cq, 8C, C1,4,6,9,11,14,16,19), 131.5 (+, CH, 6C, C2,3,7,13,17,18), 129.1 (+, CH, 1C, C10-4), 128.0 (+, CH, 3C, C5-4,15-4,20-4), 127.0 (+, CH, 2C, C20-2), 126.9 (+, CH, 4C, C5-2,15-2), 126.3 (+, CH, 1C, C10-3), 121.1 (Cq, 1C, C20), 120.9 (Cq, 2C, C5,15), 114.1 (Cq, 1C, C10). 29.7 (H grease), 27.1 (CHex), 1.18 (silicon grease) ppm do not belong to the molecule.
DOI: 10.14272/ssdaphkbpyaykp-yvfgncjrsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 9.67 (d, 3J = 4.8 Hz, 2H, Hpyrrole), 8.91 (d, 3J = 4.9 Hz, 2H, Hpyrrole), 8.80 (s, 4H, Hpyrrole), 8.23–8.15 (m, 6H, Haromatic), 7.83–7.71 (m, 9H, Haromatic), –2.14 (bs, 2H, NH).
DOI: 10.14272/ssdaphkbpyaykp-yvfgncjrsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 142.0 (Cq), 141.9 (Cq), 134.7 (+, CH), 134.6 (+, CH), 128.0 (+, CH), 128.0 (+, CH), 126.0 (+, CH), 121.1 (Cq), 120.9 (Cq), 103.0 (Cq). Missing signals (28C) due to signal overlap.
DOI: 10.5255/ukda-sn-854207
title: What happens when a woman wins an election? Evidence from close races in Brazil 2010-2015
DOI: 10.14272/fnnoekvuxxvpai-duvoqlpesa-n.1
title: C32H22N4
title: InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33,36H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-

description: This dataset contains experimental data from a sample (InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33,36H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-). 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/fnnoekvuxxvpai-duvoqlpesa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33,36H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ = 10.32 (s, 2H, Hmeso), 9.40 (d, 3J = 4.6 Hz, 4H, Hpyrrole), 9.10 (d, 3J = 4.6 Hz, 4H, Hpyrrole), 8.32–8.25 (m, 4H, Haromatic), 7.85–7.79 (m, 6H, Haromatic), –3.11 (bs, 2H, NH).
DOI: 10.14272/fnnoekvuxxvpai-duvoqlpesa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33,36H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3): δ = 147.3 (2C, Cq), 145.4 (2C. Cq), 141.5 (2C, Cq), 135.0 (+, CH, 4C), 131.8 (+, CH), 131.2 (+, CH), 127.9 (+, CH), 127.1 (+, CH), 119.3 (2C, Cq), 105.4 (+, 2C, CH), missing signals (14C) due to signal overlap.
DOI: 10.14272/fnnoekvuxxvpai-duvoqlpesa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33,36H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3247 (w), 3050 (w), 3013 (w), 1438 (w), 1407 (w), 1237 (w), 1145 (w), 1051 (w), 972 (w), 955 (s), 851 (s), 795 (vs), 783 (vs), 745 (vs), 717 (vs), 701 (vs), 688 (vs), 664 (s), 649 (s), 619 (m), 594 (w), 585 (w), 579 (w), 558 (m), 516 (w), 511 (w), 500 (m), 483 (w), 475 (w), 465 (w), 442 (w), 432 (w), 414 (w), 408 (w), 395 (w) cm–1.
DOI: 10.14272/ssdaphkbpyaykp-yvfgncjrsa-n.1
title: 5-bromo-10,15,20-triphenylporphyrin
title: InChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+

description: This dataset contains experimental data from a sample (InChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+). 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/ssdaphkbpyaykp-yvfgncjrsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%) = 617/618/619/620 (100/43/99/41) [M+H]+. HRMS (C38H26N479Br1): Calcd 617.1335, Found 617.1323.
DOI: 10.14272/ssdaphkbpyaykp-yvfgncjrsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2330, 1592, 1555, 1471, 1438, 1405, 1341, 1220, 1191, 1150, 1065, 1051, 1031, 1000, 977, 959, 854, 794, 784, 745, 726, 701, 654, 638, 555, 512, 494 cm–1.
DOI: 10.25345/c5bx2p
title: MassIVE MSV000085295 - Multiplex Substrate Profiling of the human mitochondrial rhomboid protease PARL
title: The mammalian mitochondrial rhomboid protease PARL is a critical regulator of mitochondrial homeostasis through its cleavage of substrates such as PINK1, PGAM5, and Smac, which have roles in mitochondrial quality control and apoptosis. Here are the LC-MS/MS data of Multiplex substrate profiling results for mitochondrial PARL.
DOI: 10.25345/c5zq4z
title: MassIVE MSV000085298 - Defective insulin receptor signaling in hPSCs skews pluripotency and negatively perturbs neural differentiation
title: Proteomics and phosphoproteomics analyses of two human pluripotent stem cell (hPSC) lines with stable insulin receptor knock down. 6-plex TMT-based strategy was applied to compare control versus insulin receptor (IR) knockdown (n=3 replicates for each condition) for each cell lines (CHB8 and H9). Data was searched with MS-GF+ using PNNL's DMS Processing pipeline.
DOI: 10.14272/fnnoekvuxxvpai-duvoqlpesa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33,36H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-

description: dataset for mass spectrometry (MS) MS (ESI): m/z (%) = 463 (100) [M+H]+. HRMS (C32H23N4): Calcd 463.1917, Found: 463.1900.
DOI: 10.14272/onzntvwsxsvuhq-wiywipgrsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C38H26N4/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34/h1-24,39,42H/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 959 (s), 794 (vs), 784 (vs), 745 (s), 726 (vs), 710 (vs), 701 (vs) cm–1.
DOI: 10.14272/qyfqnskahglvql-xrtkqmirsa-n.1
title: C82H52N8Ni
title: InChI=1S/C82H52N8.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;/h1-50,83,88H;/q-2;+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;

description: This dataset contains experimental data from a sample (InChI=1S/C82H52N8.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;/h1-50,83,88H;/q-2;+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/qyfqnskahglvql-xrtkqmirsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H52N8.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;/h1-50,83,88H;/q-2;+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;

description: dataset for mass spectrometry (MS) HRMS (NiC82H53N8): Calcd 1207.3741, Found: 1207.3728.
DOI: 10.14272/qyfqnskahglvql-xrtkqmirsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C82H52N8.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;/h1-50,83,88H;/q-2;+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, THF-d8, ppm) δ = 9.11 (d, 3J = 4.9 Hz, 2H, Hpyrrole), 8.98 (dd, J = 7.8, 1.4 Hz, 1H, Haromatic), 8.96 – 8.92 (m, 1H, Hpyrrole), 8.66 (dd, J = 7.5, 1.4 Hz, 1H, Haromatic), 8.43 (d, 3J = 4.9 Hz, 2H, Hpyrrole), 8.38 (d, 3J = 4.7 Hz, 2H, Hpyrrole), 8.31 (td, J = 7.7, 1.4 Hz, 1H, Haromatic), 8.26–8.18 (m, 5H, Haromatic), 8.16 (d, 3J = 4.8 Hz, 2H, Hpyrrole), 8.10 (d, 3J = 4.8 Hz, 2H, Hpyrrole), 8.07–8.03 (m, 1H, Haromatic), 7.79–7.72 (m, 4H), 7.72–7.66 (m, 3H), 7.66–7.61 (m, 3H), 7.61–7.55 (m, 8H), 7.53–7.47 (m, 4H), 7.47–7.34 (m, 5H), 7.34–7.25 (m, 3H), –3.82 (bs, 2H, NH). Impurities: 10.84 (origin: THF-d8), 9.96, 5.51 (DCM), 5.33, 3.26, 2.45, 1.29 (H grease), 0.93–0.82 (H grease), 0.11 (silicon grease) do not belong to the molecule.
DOI: 10.14272/qyfqnskahglvql-xrtkqmirsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C82H52N8.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;/h1-50,83,88H;/q-2;+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 145.8 (Cq), 145.0 (Cq), 143.9 (Cq), 143.2 (Cq), 143.0 (Cq), 143.0 (Cq), 142.8 (Cq), 142.5 (Cq), 142.2 (Cq), 141.7 (Cq), 135.4 (+, CH), 135.2 (+, CH), 135.0 (+, CH), 135.0 (+, CH), 134.4 (+, CH), 134.4 (+, CH), 133.4 (+, CH), 132.1 (+, CH), 131.9 (+, CH), 131.8 (+, CH), 130.3 (+, CH), 129.9 (+, CH), 128.8 (+, CH), 128.5 (+, CH), 128.5 (+, CH), 128.4 (+, CH), 128.4 (+, CH), 128.3 (+, CH), 128.1 (+, CH), 127.6 (+, CH), 127.5 (+, CH), 127.4 (+, CH), 120.7 (Cq), 120.2 (Cq), 119.4 (Cq), 119.0 (Cq), 118.7 (Cq), 118.1 (Cq). Missing signals (44C) due to signal overlap and line broadening. 30.8 (H grease), 1.5 silicon grease do not belong to the molecule.
DOI: 10.14272/qyfqnskahglvql-xrtkqmirsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H52N8.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;/h1-50,83,88H;/q-2;+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3323 (m), 3316 (m), 3312 (m), 2956 (m), 2929 (w), 2891 (w), 1759 (w), 1723 (w), 1441 (w), 1367 (w), 1347 (w), 1187 (m), 1061 (vs), 1035 (vs), 1006 (m), 963 (vs), 924 (vs), 881 (w), 844 (m), 701 (w), 561 (m) cm–1.
DOI: 10.14272/fchgndmbshcuek-olrukzaisa-n.1
title: C88H54Cu2N8
title: InChI=1S/C88H54N8.2Cu/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;

description: This dataset contains experimental data from a sample (InChI=1S/C88H54N8.2Cu/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/fchgndmbshcuek-olrukzaisa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C88H54N8.2Cu/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2962, 2922, 2851, 2183, 1460, 1436, 1340, 1264, 1075, 1006, 798, 749, 717, 704, 666, 630, 558, 517 cm–1.
DOI: 10.14272/onzntvwsxsvuhq-wiywipgrsa-n.1
title: C38H26N4
title: InChI=1S/C38H26N4/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34/h1-24,39,42H/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-

description: This dataset contains experimental data from a sample (InChI=1S/C38H26N4/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34/h1-24,39,42H/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-). The datasets from the following experiments are available: 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) mass spectrometry (MS)
DOI: 10.14272/onzntvwsxsvuhq-wiywipgrsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C38H26N4/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34/h1-24,39,42H/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA): m/z (%) = 539 (100) [M+H]+. HRMS (C38H27N4): Calcd 539.2236, Found: 539.2234.
DOI: 10.14272/onzntvwsxsvuhq-wiywipgrsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C38H26N4/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34/h1-24,39,42H/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ = 10.22 (s, 1H, Hmeso), 9.34 (d, 3J = 4.6 Hz, 2H, Hpyrrole), 9.04 (d, 3J = 4.6 Hz, 2H, Hpyrrole), 8.93 (d, 3J = 4.8 Hz, 2H, Hpyrrole), 8.90 (d, 3J = 4.8 Hz, 2H, Hpyrrole), 8.30–8.21 (m, 6H, Haromatic), 7.84–7.73 (m, 9H, Haromatic). –2.98 (bs, 2H, NH).
DOI: 10.14272/onzntvwsxsvuhq-wiywipgrsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C38H26N4/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34/h1-24,39,42H/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3): δ = 142.7 (Cq), 141.9 (Cq), 134.8 (+, CH), 134.6 (+, CH), 131.6 (+, CH), 131.4 (+, CH), 130.8 (+, CH), 127.9 (+, CH), 127.0 (+, CH), 126.7 (+, CH), 120.7 (Cq), 119.8 (Cq), 104.9 (+, CH), missing signals (25C) due to overlapping signals.
DOI: 10.17632/h9kdchv6by.3
title: Data for: WHEN HEALTH PROFESSIONALS LOOK DEATH IN THE EYE: THE MENTAL HEALTH OF PROFESSIONALS WHO DEAL DAILY WITH THE 2019 CORONAVIRUS OUTBREAK

description: Nurses, doctors, healthcare workers, and other medical professionals who are testing for and treating patients with COVID-19 are at a higher risk of contracting it than the general public. The combination of stress and possible exposure puts healthcare professionals, from physicians and nurses, to specialists, at greater risk of contracting COVID-19 and potentially spreading it to others. Health professionals directly involved in the diagnosis, treatment, and care of patients with COVID-19 develop the insertion of psychic spaces for the installation of pain and psychological suffering and other mental health symptoms. The foreseeable shortage of supplies and an increasing flow of suspected and real cases of COVID-19 contribute to the pressures and concerns of health professionals.
DOI: 10.5281/zenodo.3755165
title: A bay-wide self-regulated pH buffer mechanism in response to eutrophication and acidification in Chesapeake Bay

description: ROMS model output with fine sediment (mud_01, diameter=0.002 mm) concentration and time (ocean_time) in Chesapeake Bay. There are total 13 output files covering the simulated period of time (00:00:00 2016-5-31 to 00:00:00 2016-8-31). For model configuration details, please refer to the paper.
DOI: 10.5281/zenodo.3755166
title: A bay-wide self-regulated pH buffer mechanism in response to eutrophication and acidification in Chesapeake Bay

description: ROMS model output with fine sediment (mud_01, diameter=0.002 mm) concentration and time (ocean_time) in Chesapeake Bay. There are total 13 output files covering the simulated period of time (00:00:00 2016-5-31 to 00:00:00 2016-8-31). For model configuration details, please refer to the paper.