cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.3886/e106360
title: The properties and utility of less evaluative personality scales: Reduction of social desirability; increase of construct and discriminant validity

description: Evaluative neutralization implies rephrasing items such that it is less clear to the respondent what would be a desirable response in the given population. The current research introduces evaluatively neutralized scales measuring the FFM model and compares them with standard counterparts. Study 1 reveals that evaluatively neutralized scales are less influenced by social desirability. Study 2 estimates higher-order factor models for neutralized vs. standard five-factor scales. In contrast to standard inventories, there was little support for higher-order factors for neutralized scales. Study 3 demonstrates the convergent and discriminant validity for the neutralized scales, e.g. by less inflated correlations to external measures. It is argued that evaluatively neutralized inventories help researchers come to grips with social desirability in personality measurement, and are particularly useful when the factor structure is central to the research question and there is a focus on discriminant validity.
DOI: 10.14272/fvqhzgawautkbw-nryaxdjksa-n.1
title: C24H23IO4Si
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20+,24-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20+,24-/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) fast-atom bombardment mass spectrometry (FABMS) infrared absorption spectroscopy (IR)
DOI: 10.14272/fvqhzgawautkbw-nryaxdjksa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20+,24-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.08 (dd, 3J = 7.8 Hz, 4J = 1.2 Hz, 1H, CHAr), 7.94 (d, 3J = 7.8 Hz, 1H, CHAr), 7.85 (dd, 2J = 16.4, 3J = 7.9 Hz, 2H, CHAr), 7.75 (t, 3J = 7.5 Hz, 1H, CHAr), 7.66 (t, 3J = 7.6 Hz, 1H, CHAr), 7.38 (t, 3J = 7.7 Hz, 1H, CHAr), 7.08 (t, 3J = 7.6 Hz, 1H, CHAr), 6.09–5.94 (m, 1H, C=CH), 5.82 (ddd, 3J = 10.5, 5.1, 4J = 2.5 Hz, 1H, C=CH), 5.38 (d, 3J = 5.2 Hz, 1H, C=CH-CH), 3.88 (dd, 3J = 11.9, 6.6 Hz, 1H, CH2-CH), 2.53 (dt, 2J = 18.8 Hz, 3J = 5.7 Hz, 1H, CHH), 2.05 (dd, 2J = 18.7 Hz, 3J = 12.2 Hz, 1H, CHH), –0.03 (s, 9H, CH3).Impurities: spectrum contains ethyl acetate signals at 4.12, 2.05 and 1.26 ppm, unknown signals at 1.64 and –0.34 ppm and grease signal at 0.07 ppm.
DOI: 10.14272/fvqhzgawautkbw-wxvukljwsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20-,24-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 198.8 (Cq, 1 × C=O), 196.9 (Cq, 1 × C=O), 195.0 (Cq, 1 × C=O), 142.4 (+, 1 × CHAr), 141.3 (Cq, 1 × CqAr), 138.0 (Cq, 1 × CqAr), 135.5 (Cq, 1 × CqAr), 134.8 (+, 1 × CHAr), 133.6 (+, 1 × CHAr), 132.2 (+, 1 × CHAr), 130.1 (+, 1 × C=CH), 128.1 (+, 1 × CHAr), 127.8 (+, 1 × CHAr), 127.3 (+, 1 × CHAr), 127.1 (+, 1 × C=CH), 126.1 (+, 1 × CHAr), 95.3 (Cq, 1 × CqAr), 70.2 (Cq, 1 × Cq), 68.5 (+, 1 × CH), 46.4 (+, 1 × CH), 21.6 (–, 1 × CH2), –0.2 (+, 3 × SiCH3). Impurities: spectrum contains unknown signals at 0.7 and –0.9 ppm.
DOI: 10.3886/e106360v5
title: The properties and utility of less evaluative personality scales: Reduction of social desirability; increase of construct and discriminant validity

description: Evaluative neutralization implies rephrasing items such that it is less clear to the respondent what would be a desirable response in the given population. The current research introduces evaluatively neutralized scales measuring the FFM model and compares them with standard counterparts. Study 1 reveals that evaluatively neutralized scales are less influenced by social desirability. Study 2 estimates higher-order factor models for neutralized vs. standard five-factor scales. In contrast to standard inventories, there was little support for higher-order factors for neutralized scales. Study 3 demonstrates the convergent and discriminant validity for the neutralized scales, e.g. by less inflated correlations to external measures. It is argued that evaluatively neutralized inventories help researchers come to grips with social desirability in personality measurement, and are particularly useful when the factor structure is central to the research question and there is a focus on discriminant validity.
DOI: 10.5258/soton/d1193
title: Dataset for Random telegraph signals caused by a single dopant in a metal oxide semiconductor field effect transistor at low temperature

description: This dataset supports the paper 'Random telegraph signals caused by a single dopant in a metal oxide semiconductor field effect transistor at low temperature' in AIP advances.
DOI: 10.5258/soton/d1363
title: Dataset for Tubular anti-resonant hollow core fiber for visible Raman spectroscopy

description: This dataset supports the publication: AUTHORS:Ian A. Davidson, Matthew Partridge, John R. Hayes, Yong Chen, Thomas D. Bradley, Hesham Sakr, Shuichiro Rikimi, Gregory T. Jasion, Eric Numkam Fokoua, Marco Petrovich, Francesco Poletti, David J. Richardson and Natalie V. Wheeler TITLE: Tubular Anti-resonant Hollow Core Fiber for Visible Raman Spectroscopy JOURNAL: Sixth International Workshop on Specialty Optical Fibers and Their Applications (WSOF 2019) Conference Digest PAPER DOI: 10.1117/12.2557110
DOI: 10.5281/zenodo.3813906
title: Molecular dynamics simulation data of regulatory ACT domain monomer mutation (T63P) of human phenylalanine hydroxylase (PAH)

description: Raw data of molecular dynamics simulations of regulatory ACT domain monomer mutation (T63P). Simulation setup files are also included. 21 starting conformations are used in simulations.
DOI: 10.5281/zenodo.3813907
title: Molecular dynamics simulation data of regulatory ACT domain monomer mutation (T63P) of human phenylalanine hydroxylase (PAH)

description: Raw data of molecular dynamics simulations of regulatory ACT domain monomer mutation (T63P). Simulation setup files are also included. 21 starting conformations are used in simulations.
DOI: 10.14272/fvqhzgawautkbw-nryaxdjksa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20+,24-/m0/s1

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB (m/z, 3-NBA): 459 (39) [M-TMS+H]+, 458 (71) [M-TMS]+, 441 (8) [M-OTMS]+, 415 (100).HRMS-FAB (m/z): [M]+ calcd for C24H23127IO4Si, 530.0410; found, 530.0411.
DOI: 10.14272/fvqhzgawautkbw-nryaxdjksa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20+,24-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 197.0 (Cq, 1 × C=O), 195.5 (Cq, 1 × C=O), 193.1 (Cq, 1 × C=O), 141.8 (+, 1 × CHAr), 140.6 (Cq, 1 × CqAr), 135.1 (+, 1 × CHAr), 134.3 (Cq, 1 × CqAr), 133.9 (+, 1 × CHAr), 133.6 (Cq, 1 × CqAr), 131.9 (+, 1 × CHAr), 128.0 (+, 1 × CHAr), 127.5 (+, 1 × C=CH), 127.2 (+, 1 × CHAr), 127.1 (+, 1 × CHAr), 127.0 (+, 1 × CHAr), 126.6 (+, 1 × C=CH), 94.9 (Cq, 1 × CqAr), 73.3 (Cq, 1 × Cq), 65.9 (+, 1 × CH), 46.0 (+, 1 × CH), 27.8 (–, 1 × CH2), 0.4 (+, 3 × SiCH3).
DOI: 10.14272/fvqhzgawautkbw-nryaxdjksa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20+,24-/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ): 2952 (vw), 1700 (w), 1672 (w), 1593 (w), 1422 (w), 1322 (vw), 1248 (m), 1229 (w), 1076 (w), 1053 (w), 1013 (w), 934 (w), 887 (w), 838 (m), 750 (w), 735 (w), 693 (w), 637 (w), 593 (w), 482 (vw), 449 (vw) cm–1.
DOI: 10.14272/fvqhzgawautkbw-wxvukljwsa-n.1
title: C24H23IO4Si
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20-,24-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20-,24-/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) fast-atom bombardment mass spectrometry (FABMS) infrared absorption spectroscopy (IR)
DOI: 10.14272/fvqhzgawautkbw-wxvukljwsa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20-,24-/m0/s1

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB-MS (m/z, 3‑NBA): 531 (13) [M+H]+, 389 (28), 231 (100). HRMS-FAB (m/z): [M]+ calcd for C24H24127IO4Si, 531.0489; found, 531.0488.
DOI: 10.14272/fvqhzgawautkbw-wxvukljwsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20-,24-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.19–8.12 (m, 1H, CHAr), 8.07–8.01 (m, 1H, CHAr), 7.97 (dd, 3J = 7.9, 4J = 1.2 Hz, 1H, CHAr), 7.82–7.64 (m, 3H, CHAr), 7.33 (td, 3J = 7.6 Hz, 4J = 1.2 Hz, 1H, CHAr), 7.09 (td, 3J = 7.7 Hz, 4J = 1.6 Hz, 1H, CHAr), 5.92 (ddd, 3J = 10.2, 4.6 Hz, 4J = 2.7 Hz, 1H, C=CH), 5.72 (ddt, 3J = 10.0, 5.2 Hz, 4J = 2.3 Hz, 1H, C=CH), 4.97 (d, 3J = 5.2 Hz, 1H, C=CH-CH), 3.84 (d, 3J = 7.0 Hz, 1H, CH2-CH), 3.18 (ddt, 2J = 19.1 Hz, 3J = 4.2 Hz, 4J = 1.5 Hz, 1H, CHH), 2.27–2.06 (m, 1H, CHH), –0.34 (s, 9H, SiCH3). Impurities: spectrum contains ethyl acetate signals at 4.12, 2.05 and 1.26 ppm, water signal at 1.56 ppm, grease signal at 0.07 ppm and unknown signals at 0.00 and –0.09 ppm.
DOI: 10.14272/fvqhzgawautkbw-wxvukljwsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C24H23IO4Si/c1-30(2,3)29-20-14-8-12-18-21(26)15-9-4-5-10-16(15)22(27)24(18,20)23(28)17-11-6-7-13-19(17)25/h4-11,13-14,18,20H,12H2,1-3H3/t18-,20-,24-/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ): 2952 (vw), 1700 (w), 1672 (w), 1593 (w), 1422 (w), 1322 (vw), 1248 (m), 1229 (w), 1076 (w), 1053 (w), 1013 (w), 934 (w), 887 (w), 838 (m), 750 (w), 735 (w), 693 (w), 637 (w), 593 (w), 482 (vw), 449 (vw) cm–1.
DOI: 10.5281/zenodo.3813474
title: Raw mass spectrometry data for publication "Vertebrate cellular endolysosome modulating pore-forming protein is negatively regulated by its homologue under environmental oxidative conditions"

description: <strong>Abstract</strong>: Endolysosomes are key players in cell physiology, including material exchange, immunity and environmental adaptation etc. Bacterial pore-forming toxin aerolysin-like proteins (ALPs) are widely distributed in animals and plants. βγ-CAT is a complex of an ALP (BmALP1) and a trefoil factor (BmTFF3) in the frog <em>Bombina maxima</em>. It is the first example that a secreted endogenous pore-forming protein modulates the biochemical properties of endolysosomes via pore formation in these vesicles. Here, we report the identification of BmALP3, a homologue of BmALP1 that lacks membrane pore formation capacity. Both BmALP3 and BmALP1 contain a conserved cysteine in their C-terminal regions. BmALP3 was readily oxidized to disulfide bond linked homodimer, and the homodimer could then oxidize BmALP1 via disulfide bond exchange, resulting in the dissociation of βγ-CAT subunits and elimination of its biological activity. Consistent with its behavior <em>in vitro</em>, BmALP3 senses environmental oxygen tension <em>in vivo</em>, leading to modulation of βγ-CAT activity. Interestingly, this C-terminal cysteine site is well conserved in numerous vertebrate ALPs. These findings, for the first time, uncovered the existence of a regulatory ALP (BmALP3) and its modulating action on a cell executive ALP (BmALP1) in a redox-dependent manner, which is completely different from that of bacterial toxin aerolysins.
DOI: 10.5281/zenodo.3813475
title: Raw mass spectrometry data for publication "Vertebrate cellular endolysosome modulating pore-forming protein is negatively regulated by its homologue under environmental oxidative conditions"

description: <strong>Abstract</strong>: Endolysosomes are key players in cell physiology, including material exchange, immunity and environmental adaptation etc. Bacterial pore-forming toxin aerolysin-like proteins (ALPs) are widely distributed in animals and plants. βγ-CAT is a complex of an ALP (BmALP1) and a trefoil factor (BmTFF3) in the frog <em>Bombina maxima</em>. It is the first example that a secreted endogenous pore-forming protein modulates the biochemical properties of endolysosomes via pore formation in these vesicles. Here, we report the identification of BmALP3, a homologue of BmALP1 that lacks membrane pore formation capacity. Both BmALP3 and BmALP1 contain a conserved cysteine in their C-terminal regions. BmALP3 was readily oxidized to disulfide bond linked homodimer, and the homodimer could then oxidize BmALP1 via disulfide bond exchange, resulting in the dissociation of βγ-CAT subunits and elimination of its biological activity. Consistent with its behavior <em>in vitro</em>, BmALP3 senses environmental oxygen tension <em>in vivo</em>, leading to modulation of βγ-CAT activity. Interestingly, this C-terminal cysteine site is well conserved in numerous vertebrate ALPs. These findings, for the first time, uncovered the existence of a regulatory ALP (BmALP3) and its modulating action on a cell executive ALP (BmALP1) in a redox-dependent manner, which is completely different from that of bacterial toxin aerolysins.
DOI: 10.14272/povdwlxjrbxejq-oeqaeztdsa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26+,28-/m0/s1

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB (m/z, 70 eV): 587 (7) [M+H]+, 529 (16) [M–C(CH3)3]+, 455 (4) [M–OTBDMS]+, 389 (11), 231 (100).HRMS-EI (m/z): [M]+ calcd for C28H31IO4Si, 586.1109; found, 586.1111.
DOI: 10.14272/povdwlxjrbxejq-oeqaeztdsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26+,28-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 198.4 (Cq, 1 × C=O), 196.4 (Cq, 1 × C=O), 192.1 (Cq, 1 × C=O), 141.4 (+, 1 × CHAr), 141.0 (Cq, 1 × CqAr), 135.5 (Cq, 1 × CqAr), 135.3 (Cq, 1 × Cq), 134.9 (+, 1 × CHAr), 134.4 (+, 1 × CHAr), 133.6 (1 × CH=Cq), 132.0 (+, 1 × CHAr), 128.7 (+, 1 × CHAr), 127.8 (+, 1 × CHAr), 127.5 (+, 1 × CHAr), 127.2 (+, 1 × C=CH), 122.5 (+, 1 × CHAr), 94.7 (Cq, 1 × CqAr), 74.4 (+, 1 × CH), 71.3 (Cq, 1 × Cq), 45.0 (+, 1 × CH), 28.2 (+, 3 × CH3), 26.1 (+, 1 × CH3), 23.0 (–, 1 × CH2), 18.7 (Cq, 1 × Cq), –3.5 (+, 1 × SiCH3), –3.8 (+, 1 × SiCH3).
DOI: 10.14272/povdwlxjrbxejq-oeqaeztdsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26+,28-/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2924 (w), 2849 (w), 1707 (s), 1691 (s), 1676 (m), 1591 (w), 1459 (w), 1425 (w), 1319 (w), 1288 (w), 1265 (s), 1231 (vs), 1193 (w), 1145 (w), 1096 (w), 1071 (s), 1057 (vs), 1007 (s), 965 (w), 953 (m), 932 (m), 888 (vs), 858 (m), 834 (vs), 810 (vs), 776 (vs), 769 (vs), 745 (s), 721 (m), 697 (w), 674 (s), 639 (m), 620 (w), 602 (s), 567 (m), 554 (w), 533 (w), 445 (w), 418 (w), 391 (w) cm–1.
DOI: 10.14272/povdwlxjrbxejq-ptjqvgqksa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26-,28-/m0/s1

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB (m/z, 70 eV): 587 (62) [M+H]+, 586 (100) [M]+, 529 (82) [M–CMe3]+, 455 (35) [M–OTBDMS]+.HRMS-EI (m/z): [M]+ calcd for C28H31IO4Si, 586.1031; found, 586.1033.
DOI: 10.14272/povdwlxjrbxejq-ptjqvgqksa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26-,28-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.16–8.08 (m, 2H, CHAr), 8.03 (dd, 3J = 7.5 Hz, 4J = 1.7 Hz, 1H, CHAr), 7.96 (dd, 3J = 7.9 Hz, 4J = 1.1 Hz, 1H, CHAr), 7.78–7.71 (m, 2H, CHAr), 7.41 (td, 3J = 7.6 Hz, 4J = 1.2 Hz, 1H, CHAr), 7.07 (td, 3J = 7.6 Hz, 4J = 1.6 Hz, 1H, CHAr), 5.64–5.61 (m, 1H, C=CH), 4.76 (s, 1H, C(OTBDMS)H), 3.95 (d, 3J = 8.0 Hz, 1H, COCH), 3.39–3.26 (m, 1H, CHH), 2.30–2.22 (m, 1H, CHH), 1.28 (s, 3H, CH3), 0.50 (s, 9H, SiC(CH3)3), –0.12 (s, 3H, SiCH3), –0.70 (s, 3H, SiCH3).Impurities: spectrum contains ethyl acetate signals at 4.12, 2.05 and 1.26 ppm, water signal at 1.56 ppm and grease signal at 0.07 ppm.
DOI: 10.14272/povdwlxjrbxejq-ptjqvgqksa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26-,28-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 198.8 (Cq, 1 × C=O), 197.4 (Cq, 1 × C=O), 195.0 (Cq, 1 × C=O), 142.0 (+, 1 × CHAr), 141.9 (Cq, 1 × CqAr), 137.4 (Cq, 1 × CqAr), 134.9 (Cq, 1 × CqAr), 134.7 (+, 1 × CHAr), 133.4 (+, 1 × CHAr), 133.3 (Cq, 1 × Cq), 131.3 (+, 1 × CHAr), 128.1 (+, 1 × CHAr), 127.7 (+, 1 × CHAr), 127.1 (+, 1 × CHAr), 127.0 (+, C=CH), 126.4 (+, 1 × CHAr), 95.5 (Cq, 1 × CqAr), 73.6 (+, 1 × CH), 71.9 (Cq, 1 × Cq), 45.3 (+, 1 × CH), 25.4 (+, 3 × CH3), 22.2 (+, 1 × CH3), 21.0 (–, 1 × CH2), 18.2 (Cq, 1 × Cq), –4.7 (+, SiCH3), –4.8 (+, SiCH3).
DOI: 10.14272/povdwlxjrbxejq-ptjqvgqksa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C28H31IO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26-,28-/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2951 (w), 2924 (w), 2885 (w), 2849 (w), 1707 (s), 1691 (s), 1676 (m), 1592 (w), 1459 (w), 1424 (w), 1358 (w), 1333 (w), 1317 (w), 1288 (w), 1264 (s), 1242 (s), 1221 (s), 1191 (w), 1160 (w), 1143 (w), 1095 (w), 1071 (s), 1054 (vs), 1004 (s), 972 (w), 953 (m), 931 (m), 887 (vs), 857 (m), 834 (s), 823 (s), 809 (vs), 768 (vs), 745 (s), 721 (s), 674 (s), 637 (m), 619 (w), 602 (s), 567 (m), 554 (w), 531 (m), 446 (w), 395 (w) cm–1.
DOI: 10.5258/soton/d1370
title: Data for Optical Control of Couplings in Polariton Condensate Lattices

description: Experimental data and numerical simulation results used to create the figures in the paper Alyatkin, S., Töpfer, J.D., Askitopoulos, A., Sigurdsson, H. & Lagoudakis, P.G. (2020). Optical Control of Couplings in Polariton Condensate Lattices. Physical Review Letters.
DOI: 10.14272/ikyajdxlfuigjj-gtjpdfrwsa-n.1
title: C21H14O3
title: InChI=1S/C21H14O3/c22-18-14-6-2-4-8-16(14)20(24)21-11-12(9-10-17(18)21)13-5-1-3-7-15(13)19(21)23/h1-8,10,12H,9,11H2/t12-,21+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C21H14O3/c22-18-14-6-2-4-8-16(14)20(24)21-11-12(9-10-17(18)21)13-5-1-3-7-15(13)19(21)23/h1-8,10,12H,9,11H2/t12-,21+/m1/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) electron ionisation mass spectrometry (EI-MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/ikyajdxlfuigjj-gtjpdfrwsa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C21H14O3/c22-18-14-6-2-4-8-16(14)20(24)21-11-12(9-10-17(18)21)13-5-1-3-7-15(13)19(21)23/h1-8,10,12H,9,11H2/t12-,21+/m1/s1

description: dataset for electron ionisation mass spectrometry (EI-MS) EI (m/z, 70 eV): 314 (91) [M+H]+. HRMS-EI (m/z): [M]+ calcd for C21H14O3, 314.0937; found, 314.0937.
DOI: 10.14272/ikyajdxlfuigjj-gtjpdfrwsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C21H14O3/c22-18-14-6-2-4-8-16(14)20(24)21-11-12(9-10-17(18)21)13-5-1-3-7-15(13)19(21)23/h1-8,10,12H,9,11H2/t12-,21+/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.25–8.22 (m, 1H, CHAr), 8.18–8.15 (m, 1H, CHAr), 7.88–7.84 (m, 1H, CHAr), 7.82–7.78 (m, 1H, CHAr), 7.56 (td, 3J = 7.5 Hz, 4J = 1.5 Hz, 1H, CHAr), 7.34–7.29 (m, 2H, CHAr), 7.24 (m, 2H, C=CH, CHAr), 3.58 (m, 1H, CH), 3.16 (ddd, 2J = 13.5 Hz, 3J = 3.8 Hz, 4J = 1.7 Hz, 1H, CHH), 3.01 (ddd, 2J = 20.6 Hz, 3J = 6.1, 2.7 Hz, 1H, CHH), 2.52 (ddt, 2J = 20.6 Hz, 3J = 5.2 Hz, 4J = 1.6 Hz, 1H, CHH), 2.28 (dd, 2J = 13.5 Hz, 3J = 2.6 Hz, 1H, CHH). Impurities: spectrum contains ethyl acetate signals at 4.12, 2.05 and 1.26 ppm and grease signal at 0.07 ppm.
DOI: 10.14272/ikyajdxlfuigjj-gtjpdfrwsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C21H14O3/c22-18-14-6-2-4-8-16(14)20(24)21-11-12(9-10-17(18)21)13-5-1-3-7-15(13)19(21)23/h1-8,10,12H,9,11H2/t12-,21+/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 196.2 (Cq, 1 × C=O), 195.1 (Cq, 1 × C=O), 183.0 (Cq, 1 × C=O), 147.1 (Cq, 1 × CqAr), 140.2 (+, 1 × CHAr), 137.3 (Cq, 1 × CqAr), 135.4 (Cq, 1 × CqAr), 135.1 (+, 1 × CHAr), 134.9 (+, 1 × CHAr), 134.8 (+, 1 × CHAr), 132.7 (Cq, 1 × CqAr), 129.4 (Cq, 1 × CqAr), 128.8 (+, 1 × CHAr), 128.7 (+, 1 × CHAr), 128.1 (+, 2 × CHAr), 127.0 (+, 1 × C=CH), 59.8 (Cq, 1 × Cq), 34.3 (–, 1 × CH2), 32.5 (+, 1 × CH), 31.1 (–, 1 × CH2).
DOI: 10.14272/ikyajdxlfuigjj-gtjpdfrwsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C21H14O3/c22-18-14-6-2-4-8-16(14)20(24)21-11-12(9-10-17(18)21)13-5-1-3-7-15(13)19(21)23/h1-8,10,12H,9,11H2/t12-,21+/m1/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2931 (w), 2907 (w), 1691 (vs), 1664 (vs), 1612 (m), 1592 (vs), 1477 (w), 1453 (w), 1441 (w), 1417 (w), 1320 (w), 1299 (m), 1269 (vs), 1251 (vs), 1221 (s), 1156 (m), 1122 (m), 1105 (m), 1045 (w), 1030 (w), 992 (w), 970 (w), 949 (w), 928 (vs), 891 (m), 880 (m), 857 (s), 824 (m), 795 (w), 779 (m), 765 (m), 749 (vs), 728 (s), 717 (vs), 696 (vs), 670 (m), 635 (s), 619 (m), 574 (s), 541 (m), 517 (m), 500 (w), 462 (w), 443 (m), 407 (m), 375 (s) cm–1.