cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.18112/openneuro.ds001894.v1.4.0
title: Longitudinal Brain Correlates of Multisensory Lexical Processing in Children
DOI: 10.15468/rahtf2
title: The Cymonomid Crabs of New Zealand and Australia (Crustacea: Brachyura: Cyclodorripoida)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Ahyong, Shane T. (2019): The Cymonomid Crabs of New Zealand and Australia (Crustacea: Brachyura: Cyclodorripoida). Records of the Australian Museum 71 (2): 33-69, DOI: 10.3853/j.2201-4349.71.2019.1682
DOI: 10.15468/zxcxs6
title: The Genus Pseudopomyza (Diptera: Nerioidea) in Tasmania, with Description of a New Species

description: This dataset contains the digitized treatments in Plazi based on the original journal article Mcalpine, David K. (2019): The Genus Pseudopomyza (Diptera: Nerioidea) in Tasmania, with Description of a New Species. Records of the Australian Museum 71 (3): 87-94, DOI: 10.3853/j.2201-4349.71.2019.1674
DOI: 10.3886/e114713v1-24495
title: Replication data for: Supply-Side Drug Policy in the Presence of Substitutes: Evidence from the Introduction of Abuse-Deterrent Opioids

description: Overdose deaths from prescription opioid pain relievers nearly quadrupled between 1999 and 2010. We study the consequences of one of the largest supply disruptions to date to abusable opioids—the introduction of an abuse-deterrent version of OxyContin in 2010. Supply-side interventions which limit access to opioids may have the unintended consequence of increasing use of substitute drugs, including heroin. Exploiting cross-state variation in OxyContin exposure, we find that states with the highest initial rates of OxyContin misuse experienced the largest increases in heroin deaths. Our results imply that the recent heroin epidemic is largely due to the reformulation of OxyContin.
DOI: 10.5281/zenodo.3835956
title: Longitudinal high-throughput TCR repertoire profiling reveals the dynamics of T cell memory formation after mild COVID-19 infection

description: Processed TCRbeta and TCRalpha repertoires after mild COVID-19 infection, see preprint: https://www.biorxiv.org/content/10.1101/2020.05.18.100545v1 and GitHub repository: https://github.com/pogorely/Minervina_COVID Two donors (M and W), two biological replicates of PBMC (F1 and F2), CD4+, CD8+, and Memory subpopulations for each post-infection time points (day 15, 30, 37, 45 post-infection), and pre-infection PBMC repertoires sampled in 2019 and 2018.
description: Demultiplexing and UMI-consenuses were done with migec (v. 1.2.7), alignments and assembly of UMI-consensuses into clonotypes performed with mixcr (v. 2.1.11).
DOI: 10.25345/c5b400
title: MassIVE MSV000085450 - Aiolochroia crassa and its associated cultivable microbiome
title: This dataset comprises of the metabolome of the marine sponge Aiolochroia crassa and the metabolome of the sponge associated bacteria that were cultured in our lab using different media. The data was collected on a reverse phase chromatography C18 column.
DOI: 10.15468/4nx5qf
title: Revision of the genus Spilopteron Townes, 1965 (Hymenoptera: Ichneumonidae: Acaenitinae) from Japan

description: This dataset contains the digitized treatments in Plazi based on the original journal article Ito, Masato, Maeto, Kaoru (2017): Revision of the genus Spilopteron Townes, 1965 (Hymenoptera: Ichneumonidae: Acaenitinae) from Japan. European Journal of Taxonomy 356: 1-33, DOI: https://doi.org/10.5852/ejt.2017.356
DOI: 10.14272/plcvpbscavalmz-uhfffaoysa-n.1
title: 12-(3,4,5-trifluorophenyl)-1,4(1,4)-dibenzenacyclohexaphane
title: InChI=1S/C22H17F3/c23-20-12-18(13-21(24)22(20)25)19-11-16-6-5-14-1-3-15(4-2-14)7-9-17(19)10-8-16/h1-4,8,10-13H,5-7,9H2

description: This dataset contains experimental data from a sample (InChI=1S/C22H17F3/c23-20-12-18(13-21(24)22(20)25)19-11-16-6-5-14-1-3-15(4-2-14)7-9-17(19)10-8-16/h1-4,8,10-13H,5-7,9H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) mass spectrometry (MS) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/plcvpbscavalmz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C22H17F3/c23-20-12-18(13-21(24)22(20)25)19-11-16-6-5-14-1-3-15(4-2-14)7-9-17(19)10-8-16/h1-4,8,10-13H,5-7,9H2

description: dataset for mass spectrometry (MS) HRMS (C22H17F3) calcd 338.1282, found 338.1281.
DOI: 10.14272/plcvpbscavalmz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H17F3/c23-20-12-18(13-21(24)22(20)25)19-11-16-6-5-14-1-3-15(4-2-14)7-9-17(19)10-8-16/h1-4,8,10-13H,5-7,9H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d, ppm) δ = 7.08 (dd, J = 8.7 Hz, J = 6.6 Hz, 2H), 6.65 (dd, J = 8.2 Hz, J = 1.7 Hz, 1H), 6.63–6.51 (m, 5H), 6.46 (d, J = 1.8 Hz, 1H), 3.41–3.33 (m, 1H), 3.23–3.12 (m, 3H), 3.10–2.86 (m, 3H), 2.76–2.65 (m, 1H).
DOI: 10.14272/plcvpbscavalmz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H17F3/c23-20-12-18(13-21(24)22(20)25)19-11-16-6-5-14-1-3-15(4-2-14)7-9-17(19)10-8-16/h1-4,8,10-13H,5-7,9H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3,ppm) δ = 151.3 (ddd, J = 249.2, 9.9, 4.3 Hz, 2C), 140.4, 139.6, 137.0, 136.3, 133.4, 133.3, 132.9, 132.0, 131.9, 129.6,113.5 (dd, J = 15.2, 5.8 Hz, 2C), 35.6, 35.3, 35.0, 34.1. Missing Signal (4C) high order splitting and quaternary carbons weak signals.
DOI: 10.14272/plcvpbscavalmz-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H17F3/c23-20-12-18(13-21(24)22(20)25)19-11-16-6-5-14-1-3-15(4-2-14)7-9-17(19)10-8-16/h1-4,8,10-13H,5-7,9H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 1616, 1526, 1500, 1486, 1434, 1401, 1353, 1239, 1041, 902, 882, 858, 829, 815, 792, 749, 737, 720, 704, 694, 667, 650, 636, 620, 575, 513, 503, 480 cm–1.
DOI: 10.15468/yqjf77
title: Review of the Australian Signal Flies of the Genus Microepicausta (Diptera: Platystomatidae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Mcalpine, David K. (2019): Review of the Australian Signal Flies of the Genus Microepicausta (Diptera: Platystomatidae). Records of the Australian Museum 71 (3): 95-104, DOI: 10.3853/j.2201-4349.71.2019.1675
DOI: 10.25345/c5699w
title: MassIVE MSV000085451 - Fibronectin o,o-Dityrosine Crosslinking
title: Quantitative tandem MS analysis of fibronectin post translation modification o,o'-dityrosine from human plasma of healthy control and interstitial lung disease subjects.
DOI: 10.14272/roumdnppupsbdl-uhfffaoysa-n.2
title: N,N-diphenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)aniline
title: InChI=1S/C34H29N/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)33-23-21-30(22-24-33)34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25H,15-17,19H2

description: This dataset contains experimental data from a sample (N,N-diphenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)aniline, InChI=1S/C34H29N/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)33-23-21-30(22-24-33)34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25H,15-17,19H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) mass spectrometry (MS) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR)
DOI: 10.14272/roumdnppupsbdl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (N,N-diphenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)aniline)
title: InChI=1S/C34H29N/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)33-23-21-30(22-24-33)34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25H,15-17,19H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d, ppm) δ = 7.38–7.27 (m, 6H), 7.21–7.14 (m, 6H), 7.06 (tt, J = 7.3 Hz, J = 1.2 Hz, 2H), 6.65 (ddd, J = 7.7 Hz, J = 5.7 Hz, J = 1.9 Hz, 2H), 6.60–6.47 (m, 5H), 3.56–3.46 (m, 1H), 3.22–3.08 (m, 3H), 3.07–2.98 (m, 1H), 2.96–2.85 (m, 2H), 2.81–2.70 (m, 1H).
DOI: 10.14272/roumdnppupsbdl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N,N-diphenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)aniline)
title: InChI=1S/C34H29N/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)33-23-21-30(22-24-33)34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25H,15-17,19H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d, ppm) δ = 147.9, 146.7, 141.6, 140.0, 139.8, 139.5, 137.1, 135.9, 135.5, 133.3, 132.7, 132.1, 132.1, 132.0, 130.5 (2C), 129.9, 129.4 (4C), 124.7 (4C), 123.5 (2C), 123.1 (2C), 35.7, 35.4, 35.1, 34.5. Missing Signal (1C) due to overlapping signals.
DOI: 10.15468/z79p3w
title: Maculergithus, a new subgenus in Gergithus Schumacher, 1915 with two new species from northern Vietnam (Hemiptera: Fulgoromorpha: Issidae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Constant, Jérôme, Pham, Hong-Thai (2016): Maculergithus, a new subgenus in Gergithus Schumacher, 1915 with two new species from northern Vietnam (Hemiptera: Fulgoromorpha: Issidae). European Journal of Taxonomy 198: 1-16, DOI: http://dx.doi.org/10.5852/ejt.2016.198
DOI: 10.25345/c52m6m
title: MassIVE MSV000085452 - Aplysina fulva and its associated bacteria
title: This dataset comprises of the metabolome of the marine sponge Aplysina fulva and the metabolome of the sponge associated bacteria that were cultured in our lab using different media. The data was collected on a reverse phase chromatography C18 column.
DOI: 10.14272/roumdnppupsbdl-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (N,N-diphenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)aniline)
title: InChI=1S/C34H29N/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)33-23-21-30(22-24-33)34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25H,15-17,19H2

description: dataset for mass spectrometry (MS) HRMS (C34H29N1) calc. 451.2300, found 451.2301.
DOI: 10.14272/roumdnppupsbdl-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (N,N-diphenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)aniline)
title: InChI=1S/C34H29N/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)33-23-21-30(22-24-33)34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25H,15-17,19H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 382 (vw), 390 (vw), 412 (w), 421 (w), 438 (w), 462 (w), 490 (m), 509 (vs), 555 (w), 588 (w), 622 (m), 636 (m), 652 (m), 694 (vs), 717 (w), 752 (vs), 795 (w), 837 (m), 898 (w), 908 (w), 936 (vw), 1014 (vw), 1027 (w), 1074 (w), 1091 (w), 1111 (w), 1154 (w), 1176 (w), 1272 (vs), 1315 (m), 1400 (w), 1411 (w), 1417 (w), 1435 (w), 1449 (w), 1485 (vs), 1509 (m), 1588 (s), 2850 (w), 2888 (w), 2922 (w), 3006 (w), 3031 (w), 3058 (w) cm–1.
DOI: 10.15468/3qv7wd
title: A taxonomic review of the genus Asterostegus (Echinodermata: Ophiuroidea), with the description of a new species - Corrigendum

description: This dataset contains the digitized treatments in Plazi based on the original journal article Okanishi, Masanori, Fujita, Toshihiko (2014): A taxonomic review of the genus Asterostegus (Echinodermata: Ophiuroidea), with the description of a new species - Corrigendum. European Journal of Taxonomy 84: 1-2, DOI: http://dx.doi.org/10.5852/ejt.2014.84
DOI: 10.5281/zenodo.3836539
title: NPM Package READMEs

description: This JSON file contains README information for 925, 317 NPM packages. Package README information was downloaded by: Using https://github.com/nice-registry/all-the-package-names to get a list of all package names. For each package, looking at the readme field on https://registry.npmjs.org/&lt;package&gt; Where packages were missing a readme field, sometimes the readme is instead in the versions field. We look for the latest version with a readme field. Where the package has no readme field at all, we use the repository field to look for common README file names in the github repo. For 1106544 packages, 925, 317 have a README file. The JSON file is formatted as follows: {<br> "&lt;name&gt;": "&lt;readme&gt;",<br> "&lt;name&gt;": "&lt;readme&gt;"<br> }
DOI: 10.5281/zenodo.3836540
title: NPM Package READMEs

description: This JSON file contains README information for 925, 317 NPM packages. Package README information was downloaded by: Using https://github.com/nice-registry/all-the-package-names to get a list of all package names. For each package, looking at the readme field on https://registry.npmjs.org/&lt;package&gt; Where packages were missing a readme field, sometimes the readme is instead in the versions field. We look for the latest version with a readme field. Where the package has no readme field at all, we use the repository field to look for common README file names in the github repo. For 1106544 packages, 925, 317 have a README file. The JSON file is formatted as follows: {<br> "&lt;name&gt;": "&lt;readme&gt;",<br> "&lt;name&gt;": "&lt;readme&gt;"<br> }
DOI: 10.6073/pasta/7813c033f070aeabdf292b1e44692311
title: KFH01 Konza Prairie Fire History

description: The Konza burn history data is downloadable by year. Watershed names and codes listed are the current watershed designations (2010). Please note that several watershed designations have changed over the history of Konza. This is inevitable due to changes in research objectives but is problematic for those wanting to discover the full burn history of a given area. In some cases watersheds have simply been renamed to reflect changes in experimental burn treatments (e.g. R20A was formerly 1A). In other cases watersheds have been subdivided or aggregated from smaller watersheds (eg. in 1994 3B3UA was added to 20A (currently R1A) to form a larger watershed). In a few cases watershed names have been moved to new areas (e.g. 1D was moved from its original location in 1978 after the acquisition of new property. The original 1D watershed is now part of WB and 20C). Investigators should consult the proper watershed map for a given year to see watershed designations at the time of burning.
DOI: 10.14272/otifguklkckzpr-uhfffaoysa-n.1
title: 4-(2'-mesityl)[2.2]paracyclophane
title: InChI=1S/C25H26/c1-17-14-18(2)25(19(3)15-17)24-16-22-9-8-20-4-6-21(7-5-20)10-12-23(24)13-11-22/h4-7,11,13-16H,8-10,12H2,1-3H3

description: This dataset contains experimental data from a sample (5-(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C25H26/c1-17-14-18(2)25(19(3)15-17)24-16-22-9-8-20-4-6-21(7-5-20)10-12-23(24)13-11-22/h4-7,11,13-16H,8-10,12H2,1-3H3). 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/otifguklkckzpr-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (5-(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
title: InChI=1S/C25H26/c1-17-14-18(2)25(19(3)15-17)24-16-22-9-8-20-4-6-21(7-5-20)10-12-23(24)13-11-22/h4-7,11,13-16H,8-10,12H2,1-3H3

description: dataset for mass spectrometry (MS) HRMS (C25H26): Calcd 326.2035, Found 326.2034.
DOI: 10.14272/otifguklkckzpr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (5-(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
title: InChI=1S/C25H26/c1-17-14-18(2)25(19(3)15-17)24-16-22-9-8-20-4-6-21(7-5-20)10-12-23(24)13-11-22/h4-7,11,13-16H,8-10,12H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d, ppm) δ = 7.09 (br, 1H), 6.91–6.87 (br, 1H), 6.81 (br, 2H), 6.59 (d, J = 1.8 Hz, 1H), 6.55–6.49 (m, 1H), 6.48–6.41 (m, 2H), 6.34 (dd, J = 7.8, 1.7 Hz, 1H), 3.30 (dddd, J = 15.8, 13.0, 10.3, 2.7 Hz, 2H), 3.10–3.02 (m, 3H), 2.99–2.88 (m, 2H), 2.85 (s, 3H), 2.70–2.66 (m, 1H), 2.36 (s, 3H), 1.85 (s, 3H).
DOI: 10.14272/otifguklkckzpr-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (5-(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
title: InChI=1S/C25H26/c1-17-14-18(2)25(19(3)15-17)24-16-22-9-8-20-4-6-21(7-5-20)10-12-23(24)13-11-22/h4-7,11,13-16H,8-10,12H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d, ppm) δ = 140.1, 139.8, 139.4, 138.5, 137.5, 137.4, 136.4, 136.2, 135.5, 134.7, 133.0, 132.6, 132.4, 132.3, 132.3, 129.9, 129.7, 128.9, 35.5, 35.3, 35.3, 33.1, 22.1, 21.3, 21.0.
DOI: 10.14272/otifguklkckzpr-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (5-(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
title: InChI=1S/C25H26/c1-17-14-18(2)25(19(3)15-17)24-16-22-9-8-20-4-6-21(7-5-20)10-12-23(24)13-11-22/h4-7,11,13-16H,8-10,12H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ = 2921 (vw), 2849 (vw), 1612 (vw), 1586(vw), 1470 (vw), 1433 (vw), 1411 (vw), 1091 (vw), 1028 (vw), 939 (vw), 904 (vw), 851 (vw), 840 (vw), 739 (vw), 717 (vw), 645 (vw), 609 (vw), 508 (vw), 483 (vw), 425 (vw).
DOI: 10.15468/6cqqmt
title: Taxonomic revision of the Andean genus Eulibitia Roewer, 1912 (Arachnida, Opiliones, Cosmetidae), with the description of five new species

description: This dataset contains the digitized treatments in Plazi based on the original journal article Medrano, Miguel, Kury, Adriano B. (2017): Taxonomic revision of the Andean genus Eulibitia Roewer, 1912 (Arachnida, Opiliones, Cosmetidae), with the description of five new species. European Journal of Taxonomy 357: 1-55, DOI: https://doi.org/10.5852/ejt.2017.357
DOI: 10.25345/c5xt52
title: MassIVE MSV000085453 - Smenospongia aurea and its associated cultivable bacteria
title: This dataset comprises of the metabolome of the marine sponge Smenospongia aurea and the metabolome of the sponge associated bacteria that were cultured in lab using different media. The data was collected on a reverse phase chromatography C18 column.
DOI: 10.14272/dbgfkoubapggjq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38/h1-14,17-18,21-28H,15-16,19-20H2

description: dataset for mass spectrometry (MS) HRMS (C39H33ONP) Calcd 562.2300; Found 562.2299.
DOI: 10.14272/dbgfkoubapggjq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38/h1-14,17-18,21-28H,15-16,19-20H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d, ppm) δ = 8.73 (dt, J = 4.8, 1.4 Hz, 1H), 8.11–8.04 (m, 2H), 7.79 (dt, J = 4.4 Hz, J = 1.6 Hz, 2H), 7.73 (ddd, J = 11.5 Hz, J = 8.2 Hz, J = 1.5 Hz, 2H), 7.65–7.52 (m, 5H), 7.48 (tdd, J = 7.2 Hz, J = 3.2 Hz, J = 1.7 Hz, 3H), 7.39 (ddd, J = 8.4 Hz, J = 6.7 Hz, J = 2.9 Hz, 2H), 7.28–7.21 (m, 2H), 6.72 (dd, J = 8.8 Hz, J = 1.6 Hz, 2H), 6.65 (dd, J = 7.8 Hz, J = 4.1 Hz, 1H), 6.40 (d, J = 7.8 Hz, 1H), 6.35 (dd, J = 14.5 Hz, J = 1.8 Hz, 1H), 3.67–3.48 (m, 1H), 3.31 (ddd, J = 13.6 Hz, J = 10.1 Hz, J = 5.1 Hz, 1H), 3.10–3.00 (m, 1H), 2.95 (tdd, J = 9.5 Hz, J = 6.7 Hz, J = 3.1 Hz, 3H), 2.78 (ddd, J = 13.6 Hz, J = 10.0 Hz, J = 3.6 Hz, 1H), 2.59 (ddd, J = 13.4 Hz, J = 10.2 Hz, J = 5.1 Hz, 1H).Impurities: 2% ethyl acetate, unknown impurities at 3.99, 1.83 ppm and 0.98 ppm.
DOI: 10.14272/dbgfkoubapggjq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-19-31-18-14-29(16-20-34(39)21-17-30)27-37(31)32-22-24-33(25-23-32)38-13-7-8-26-40-38/h1-14,17-18,21-28H,15-16,19-20H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3053, 3024, 3006, 2968, 2924, 2890, 2846, 1584, 1572, 1459, 1434, 1394, 1179, 1160, 1116, 1103, 1067, 853, 846, 788, 768, 747, 731, 717, 694, 654, 643, 615, 557, 537, 524, 507, 496, 490, 443, 398 cm–1.
DOI: 10.17632/fh3nf99wxn.1
title: Data for: Elucidating the sources and dynamics of PM10 aerosols in Cienfuegos (Cuba) using their multi-stable and radioactive isotope and ion compositions

description: PM10 samples were collected during 2015 and 2016 on pre-combusted (4 hours at 550 ºC) quartz fiber filters (Munktell, 150 mm diameter) using high-volume samplers (MCV-CAV) operating at a flow rate of 30 m3h−1 at several sites in the coastal region of Cienfuegos, Cuba. A total of 38 samples were simultaneously collected at an urban (noted US, 21 samples) and a rural (noted RS, 17 samples) site during 48h every 15 days between February 2015 and January 2016. Due to technical issues with the high-volume samplers some samples were unfortunately not collected, discontinuing our time series. In addition, a total of 40 samples were collected during a monitoring survey (24h-PM10 samples every 2 days) carried out at a traffic (noted TS, 14 samples), a residential (noted ES, 14 samples) and an industrial-suburban (noted IS, 12 samples) sites during February, March and April 2016, respectively. Ammonium (NH4+) and major anions (Cl-, NO3- and SO42-) were analyzed by Ion Chromatography (Dionex ICS 1100 for ammonium and Dionex ICS 2000 for anions) in the soluble fraction using a quarter of each filter from the TS, ES and IS sampling sites. The pH and electric conductivity (EC) were also analyzed in the soluble fraction of these samples. Total carbon (TC), total nitrogen (TN) and their corresponding stable isotope compositions (δ13C and δ15N) were determined in samples collected at TS, ES and IS sampling sites using an Elemental Analyzer (EA, Vario MICRO Cube, Elementar, Hanau, Germany) coupled to an Isotope Ratio Mass Spectrometer (IRMS, IsoPrime 100, Cheadle, UK) operating in continuous flow mode. The inorganic carbon fraction (carbonate) was not removed prior to the isotope analysis. For the δ13C analysis a 1.3 cm2 piece punched from each PM10 quartz filter was packed into a tin capsule and analyzed by EA-IRMS. For the δ15N analysis, we adapted the method by gathering several smallest punches that reached a total area of 3.0 cm2 that we also packed into a tin capsule, and adding tungsten oxide (WO3) as a catalyst to achieve complete combustion. Isotope compositions were expressed using the regular δ13C and δ15N notations, which represent the relative difference expressed in per mil (‰) between the isotope ratio measured in the sample and that of an international standard (Pee Dee Belemnite (PDB) for carbon and atmospheric N2 for nitrogen). The 210Pb, 7Be, 137Cs and 40K activity concentrations (in mBq m-3) were measured directly in the PM10 samples from the US and RS sampling site using a low-level gamma spectrometric system with an HPGe well detector.