cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/yxmvwwbhciqhmh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C34H52N2O2/c1-25(37-35-31(3,4)21-11-22-32(35,5)6)27-13-17-29(18-14-27)30-19-15-28(16-20-30)26(2)38-36-33(7,8)23-12-24-34(36,9)10/h13-20,25-26H,11-12,21-24H2,1-10H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3003 (w), 2969 (m), 2928 (s), 2870 (w), 2847 (w), 1493 (w), 1462 (w), 1452 (w), 1441 (m), 1373 (m), 1360 (m), 1347 (w), 1300 (w), 1275 (w), 1256 (w), 1241 (w), 1207 (w), 1183 (w), 1130 (m), 1096 (w), 1081 (w), 1060 (vs), 1024 (w), 1006 (w), 986 (s), 973 (w), 955 (m), 932 (vs), 881 (m), 853 (w), 822 (vs), 789 (w), 778 (w), 735 (w), 731 (w), 707 (m), 642 (w), 616 (w), 572 (w), 551 (vs), 506 (w), 422 (w), 401 (w), 388 (w) cm–1.
DOI: 10.14272/yxmvwwbhciqhmh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C34H52N2O2/c1-25(37-35-31(3,4)21-11-22-32(35,5)6)27-13-17-29(18-14-27)30-19-15-28(16-20-30)26(2)38-36-33(7,8)23-12-24-34(36,9)10/h13-20,25-26H,11-12,21-24H2,1-10H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CD2Cl2 [54.0 ppm], ppm) δ = 145.3 (2C, Cq), 139.9 (2C, Cq), 127.6 (4C, CarH), 127.0 (4C, CarH), 83.2 (2C, CHO), 60.2 (4C, Cq TEMPO), 41.0 (4C, CH2 TEMPO), 34.8 (2C, CH3 TEMPO), 34.7 (2C, CH3 TEMPO), 23.7 (2C, CH3-Sidechain), 20.6 (4C, CH3-TEMPO), 17.8 (2C, CH2 TEMPO).
DOI: 10.14272/yxmvwwbhciqhmh-uhfffaoysa-n.1
title: 4,4'-bis(1-((2,2,6,6-tetramethylpiperidin-1-yl)oxy)ethyl)-1,1'-biphenyl
title: InChI=1S/C34H52N2O2/c1-25(37-35-31(3,4)21-11-22-32(35,5)6)27-13-17-29(18-14-27)30-19-15-28(16-20-30)26(2)38-36-33(7,8)23-12-24-34(36,9)10/h13-20,25-26H,11-12,21-24H2,1-10H3

description: This dataset contains experimental data from a sample (InChI=1S/C34H52N2O2/c1-25(37-35-31(3,4)21-11-22-32(35,5)6)27-13-17-29(18-14-27)30-19-15-28(16-20-30)26(2)38-36-33(7,8)23-12-24-34(36,9)10/h13-20,25-26H,11-12,21-24H2,1-10H3). 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/yxmvwwbhciqhmh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C34H52N2O2/c1-25(37-35-31(3,4)21-11-22-32(35,5)6)27-13-17-29(18-14-27)30-19-15-28(16-20-30)26(2)38-36-33(7,8)23-12-24-34(36,9)10/h13-20,25-26H,11-12,21-24H2,1-10H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 521 [M+ + H], 364 [M+ – TEMPO], 209 [M+ – 2 TEMPO + H], 208 [M+ – 2 TEMPO], 107.HRMS–FAB (m/z): [M + H]+ calcd for C34H53N2O2, 521.4107; found, 521.4109.
DOI: 10.14272/yxmvwwbhciqhmh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C34H52N2O2/c1-25(37-35-31(3,4)21-11-22-32(35,5)6)27-13-17-29(18-14-27)30-19-15-28(16-20-30)26(2)38-36-33(7,8)23-12-24-34(36,9)10/h13-20,25-26H,11-12,21-24H2,1-10H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CD2Cl2 [5.32 ppm], ppm) δ = 7.57 (d, J = 8.1 Hz, 4H, CarH), 7.39 (d, J = 8.1 Hz, 4H, CarH), 4.84 (q, J = 6.6 Hz, 2H, CHO), 1.62–1.02 (m, 36H, CH2 CH3 TEMPO/Sidechain), 0.72 (bs, 6H, CH3 TEMPO).
DOI: 10.14272/sasadiugqavsrr-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C36H36O3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24H,1-6H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 200 °C): 516 (20) [M+], 474 (38) [M+ – C3H7 + H], 473 (100) [M+ – C3H7], 446 (20) [M+ – C4H7O + H], 404 (30), 403 (95) [M+ – C3H7 – C4H7O + H], 332 (20) [M+ – C3H7 – 2 C4H7O + H]. HRMS–EI (m/z): [M]+ calcd for C36H36O3, 516.2664; found, 516.2665.
DOI: 10.6084/m9.figshare.12866801
title: Supplementary Material for: Identification of Seasonal Variations of Antibodies against PR-10-Specific Epitopes Can Be Improved Using Peptide-Phage Display

description: <b><i>Background:</i></b> In pollinosis patients, allergen-specific antibody titers show seasonal variations. Little is known about these variations at the epitope level. <b><i>Objectives:</i></b> We aimed at investigating seasonal variations on the level of allergen epitope recognition in patients with Bet v 1-related food allergy using a peptide phage display approach. <b><i>Methods:</i></b> Serum samples collected over 1 year from 4 patients of the placebo arm of the birch-associated soya allergy immunotherapy trial were included. To identify epitopes from Bet v 1-related food allergens, patient sera were used in peptide phage display experiments. In silico analysis of enriched allergen-related motifs was performed. <b><i>Results:</i></b> We identified epitope motifs related to Bet v 1 and its homologs in soya and hazelnut (Gly m 4 and Cor a 1, respectively) that were enriched in accordance with birch and hazel pollen exposure. Within several weeks after the birch pollen season peak, the pattern of identified epitope motifs differed considerably among patients. Data for amino acid preferences in homologous Bet v 1 and Cor a 1 epitope motifs identified for one of the investigated patients suggest changes in concentration or specificity of serum antibodies for the Cor a 1 epitope motif. <b><i>Conclusions:</i></b> Peptide phage display data suggest an impact of birch and hazel pollen exposure on the recognition pattern of Bet v 1-like allergen epitopes. Epitope-oriented analyses could provide deeper, personalized details regarding the allergen epitope recognition influenced by pollen exposure beyond the capability of current methods.
DOI: 10.6084/m9.figshare.10021967
title: MOESM1 of Epidemiology and risk factors of patients with types of acute coronary syndrome presenting to a tertiary care hospital in Sri Lanka

description: Additional file 1: The English Version of the Questionnaire used for data collection.
DOI: 10.14272/sasadiugqavsrr-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C36H36O3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2968 (w), 2931 (w), 2871 (w), 1676 (vs), 1596 (vs), 1561 (w), 1465 (w), 1443 (w), 1408 (w), 1381 (m), 1368 (w), 1350 (w), 1286 (w), 1248 (w), 1220 (vs), 1159 (s), 1119 (w), 1084 (w), 979 (vs), 931 (w), 905 (w), 892 (w), 871 (w), 849 (s), 827 (s), 761 (vs), 721 (w), 697 (s), 669 (w), 663 (w), 640 (w), 620 (w), 608 (w), 572 (w), 521 (w), 490 (m), 455 (w), 446 (w), 435 (w), 418 (w), 407 (w), 395 (w), 377 (w) cm–1.
DOI: 10.14272/sasadiugqavsrr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C36H36O3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.12–8.09 (m, 6H, CarH), 7.89 (s, 3H, CarH), 7.83–7.79 (m, 6H, CarH), 3.63 (sept, J = 6.9 Hz, 3H, CH(CH3)2), 1.28 (d, J = 6.9 Hz, 18H, CH3).
DOI: 10.6084/m9.figshare.10021967.v1
title: MOESM1 of Epidemiology and risk factors of patients with types of acute coronary syndrome presenting to a tertiary care hospital in Sri Lanka

description: Additional file 1: The English Version of the Questionnaire used for data collection.
DOI: 10.14272/sasadiugqavsrr-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C36H36O3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 204.0 (3C, CO), 144.8 (3C, Cq), 141.6 (3C, Cq), 135.4 (3C, Cq), 129.1 (6C, CarH), 127.5 (6C, CarH), 126.0 (3C, CarH), 35.5 (3C, CH(CH3)2), 19.2 (6C, CH3).
DOI: 10.14272/sasadiugqavsrr-uhfffaoysa-n.1
title: 1,3,5-Tris(4'-isobutyronylphenyl)benzene
title: InChI=1S/C36H36O3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24H,1-6H3

description: This dataset contains experimental data from a sample (InChI=1S/C36H36O3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24H,1-6H3). 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: 10.6084/m9.figshare.10021919
title: MOESM2 of Detecting multiple differentially methylated CpG sites and regions related to dimensional psychopathology in youths

description: Additional file 2: Table S2. The 100 top-ranked differentially methylated CpGs associated with dimensional psychopathology using all the CpG sites of the EPIC array and included covariates for batch effects. Table S3. The differentially methylated CpGs associated with chronological age in the Philadelphia Neurodevelopmental Cohort (PNC). Table S4. The differentially methylated CpGs (DMPs) associated with the emergence of dimensional psychopathology using batch effects as covariates. Table S5. Overview of significant results from the enrichment analysis obtained using all genes for which the DMPs/DMRs were mapped to or near to the genes. Table S6. Statistics, beta fold change and adjusted p-values for the 663 differentially methylated CpGs (DMPs) associated with the emergence of dimensional psychopathology using batch effects and medication as covariates. Table S7. Gene expression results of genes for which the DMPs were mapped to or near to the genes. Table S8. DNA methylation correlation between brain and blood for DMPs mapped or near to differentially expressed genes. Correlation results are from IMAGE-CpG (Braun, P et al., 2019). Table S9. Information about correlations between: a) the variation of the DNA methylation of the differentially methylated positions (ΔDNAm) and the variation of the expression of genes that were differentially expressed in whole blood (ΔmRNA); b) the variation of the total score of CBCL (ΔCBCL) and ΔDNAm; and c) ΔCBCL and ΔmRNA. The variations were calculated subtracting wave 1 (W1) values from wave 0 (W0) values. Table S10. Differentially methylated regions from DMRCate analysis. Table S11. Gene expression results of genes for which the DMRs were mapped to or near to the genes. Table S12. DNA methytion correlation between brain and blood for CpG site from DMRs mapped or near to differentially expressed genes. Correlation results are from IMAGE-CpG (Braun, P et al., 2019).
DOI: 10.14272/hcqbaxkyjqszlh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-methyl-1-[4-[4-[4-(2-methylpropanoyl)phenyl]phenyl]phenyl]propan-1-one)
title: InChI=1S/C26H26O2/c1-17(2)25(27)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26(28)18(3)4/h5-18H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 204.0 (2C, CO), 144.6 (2C, Cq), 139.6 (2C, Cq), 135.0 (2C, Cq), 129.0 (4C, CarH), 127.8 (4C, CarH), 127.1 (4C, CarH), 35.4 (2C, CH(CH3)2), 19.2 (4C, CH3).
DOI: 10.14272/hcqbaxkyjqszlh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-methyl-1-[4-[4-[4-(2-methylpropanoyl)phenyl]phenyl]phenyl]propan-1-one)
title: InChI=1S/C26H26O2/c1-17(2)25(27)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26(28)18(3)4/h5-18H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3034 (w), 2972 (w), 2934 (w), 2907 (w), 2871 (w), 1674 (vs), 1599 (s), 1560 (w), 1527 (w), 1485 (w), 1465 (w), 1458 (w), 1424 (w), 1395 (w), 1378 (m), 1366 (w), 1347 (w), 1273 (w), 1221 (vs), 1190 (w), 1159 (m), 1126 (w), 1105 (w), 1078 (w), 1038 (w), 1001 (w), 977 (vs), 929 (w), 867 (m), 843 (m), 824 (vs), 759 (vs), 749 (s), 694 (s), 667 (w), 635 (w), 567 (w), 520 (m), 484 (vs), 404 (w), 384 (w) cm–1.
DOI: 10.14272/hcqbaxkyjqszlh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-methyl-1-[4-[4-[4-(2-methylpropanoyl)phenyl]phenyl]phenyl]propan-1-one)
title: InChI=1S/C26H26O2/c1-17(2)25(27)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26(28)18(3)4/h5-18H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.09–8.06 (m, 4H, CarH), 7.77–7.75 (m, 8H, CarH), 3.62 (sept, J = 6.8 Hz, 2H, CH(CH3)2), 1.27 (d, J = 6.8 Hz, 12H, CH3).
DOI: 10.6084/m9.figshare.10021919.v1
title: MOESM2 of Detecting multiple differentially methylated CpG sites and regions related to dimensional psychopathology in youths

description: Additional file 2: Table S2. The 100 top-ranked differentially methylated CpGs associated with dimensional psychopathology using all the CpG sites of the EPIC array and included covariates for batch effects. Table S3. The differentially methylated CpGs associated with chronological age in the Philadelphia Neurodevelopmental Cohort (PNC). Table S4. The differentially methylated CpGs (DMPs) associated with the emergence of dimensional psychopathology using batch effects as covariates. Table S5. Overview of significant results from the enrichment analysis obtained using all genes for which the DMPs/DMRs were mapped to or near to the genes. Table S6. Statistics, beta fold change and adjusted p-values for the 663 differentially methylated CpGs (DMPs) associated with the emergence of dimensional psychopathology using batch effects and medication as covariates. Table S7. Gene expression results of genes for which the DMPs were mapped to or near to the genes. Table S8. DNA methylation correlation between brain and blood for DMPs mapped or near to differentially expressed genes. Correlation results are from IMAGE-CpG (Braun, P et al., 2019). Table S9. Information about correlations between: a) the variation of the DNA methylation of the differentially methylated positions (ΔDNAm) and the variation of the expression of genes that were differentially expressed in whole blood (ΔmRNA); b) the variation of the total score of CBCL (ΔCBCL) and ΔDNAm; and c) ΔCBCL and ΔmRNA. The variations were calculated subtracting wave 1 (W1) values from wave 0 (W0) values. Table S10. Differentially methylated regions from DMRCate analysis. Table S11. Gene expression results of genes for which the DMRs were mapped to or near to the genes. Table S12. DNA methytion correlation between brain and blood for CpG site from DMRs mapped or near to differentially expressed genes. Correlation results are from IMAGE-CpG (Braun, P et al., 2019).
DOI: 10.14272/hcqbaxkyjqszlh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-methyl-1-[4-[4-[4-(2-methylpropanoyl)phenyl]phenyl]phenyl]propan-1-one)
title: InChI=1S/C26H26O2/c1-17(2)25(27)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26(28)18(3)4/h5-18H,1-4H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 372 [M+ + 2 H], 371 [M+ + H], 370 [M+], 327 [M+ – C3H7].HRMS–FAB (m/z): [M + H]+ calcd for C26H27O2, 371.2011; found, 371.2012.
DOI: 10.14272/hcqbaxkyjqszlh-uhfffaoysa-n.1
title: 2-methyl-1-[4-[4-[4-(2-methylpropanoyl)phenyl]phenyl]phenyl]propan-1-one
title: InChI=1S/C26H26O2/c1-17(2)25(27)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26(28)18(3)4/h5-18H,1-4H3

description: This dataset contains experimental data from a sample (2-methyl-1-[4-[4-[4-(2-methylpropanoyl)phenyl]phenyl]phenyl]propan-1-one, InChI=1S/C26H26O2/c1-17(2)25(27)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26(28)18(3)4/h5-18H,1-4H3). 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: 10.6084/m9.figshare.10021598
title: 14_1009_16_40cm_Burkholderiales_10114_69_7.contigs.fa.gz

description: 1,334 draft or better quality genomes reconstructed from soil and saprolite metagenomes as used in the publication "Bacterial secondary metabolite biosynthetic potential in soil varies with phylum, depth, and vegetation type" by Sharrar et al.
DOI: 10.6084/m9.figshare.10014818
title: TPS files

description: Dataset for the manuscript "is the replication crisis a problem for biologists? a geometric morphometric approach" Vrdoljak et al.<br>
DOI: 10.6084/m9.figshare.10014884
title: Data for Effect of artificial diet on Apanteles opuntiarum behaviour

description: This data set presents results from two assays that study parasitoidism by braconid wasp Apanteles opuntiarum on cactus moth Cactoblastis cactorum, depending on host and food source cues.
DOI: 10.6084/m9.figshare.10021598.v1
title: 14_1009_16_40cm_Burkholderiales_10114_69_7.contigs.fa.gz

description: 1,334 draft or better quality genomes reconstructed from soil and saprolite metagenomes as used in the publication "Bacterial secondary metabolite biosynthetic potential in soil varies with phylum, depth, and vegetation type" by Sharrar et al.
DOI: 10.6084/m9.figshare.10014818.v1
title: TPS files

description: Dataset for the manuscript "is the replication crisis a problem for biologists? a geometric morphometric approach" Vrdoljak et al.<br>
DOI: 10.6084/m9.figshare.10014884.v1
title: Data for Effect of artificial diet on Apanteles opuntiarum behaviour

description: This data set presents results from two assays that study parasitoidism by braconid wasp Apanteles opuntiarum on cactus moth Cactoblastis cactorum, depending on host and food source cues.
DOI: 10.6084/m9.figshare.10013468
title: Nicholson_etal_2019_Wild_bee_specimen_records

description: These data are individual specimen records. These specimens were collected via aerial hand netting along transects on fruit farms. Fruit farms were located in California (watermelon), Michigan (blueberry and cherry), and Oregon (blueberry). Farms were either 'treated' with a pollinator habitat enhancement (i.e. 'enhanced edge') or an edge was left unplanted (i.e. 'control edge). SpecimenS were collected at these 'edge' habitats and in enhanced and control crops. See Methods section in Nicholson et al 2019 <i>Ecology Letters</i> for more info.<br><br>Column names follow Darwin Core standard terms:<br>https://dwc.tdwg.org/terms/<br><br>
DOI: 10.14272/cafyioyxmuileu-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-[4-[tris(4-acetylphenyl)methyl]phenyl]ethanone)
title: InChI=1S/C33H28O4/c1-21(34)25-5-13-29(14-6-25)33(30-15-7-26(8-16-30)22(2)35,31-17-9-27(10-18-31)23(3)36)32-19-11-28(12-20-32)24(4)37/h5-20H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.91–7.87 (m, 8H, CarH), 7.36–7.33 (m, 8H, CarH), 2.59 (s, 12H, CH3).
DOI: 10.6084/m9.figshare.10013375
title: Code from Mass-based finite volume scheme for aggregation, growth and nucleation population balance equation

description: The Matlab code is developed for the finite volume scheme to solve mass based population balance equation using the notion of overlapping of the cells
DOI: 10.14272/cafyioyxmuileu-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-[4-[tris(4-acetylphenyl)methyl]phenyl]ethanone)
title: InChI=1S/C33H28O4/c1-21(34)25-5-13-29(14-6-25)33(30-15-7-26(8-16-30)22(2)35,31-17-9-27(10-18-31)23(3)36)32-19-11-28(12-20-32)24(4)37/h5-20H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 197.4 (4C, CO), 150.0 (4C, Cq), 135.4 (4C, Cq), 130.8 (8C, CarH), 128.1 (8C, CarH), 65.5 (1C, Cq), 26.6 (4C, CH3).
DOI: 10.14272/cafyioyxmuileu-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-[4-[tris(4-acetylphenyl)methyl]phenyl]ethanone)
title: InChI=1S/C33H28O4/c1-21(34)25-5-13-29(14-6-25)33(30-15-7-26(8-16-30)22(2)35,31-17-9-27(10-18-31)23(3)36)32-19-11-28(12-20-32)24(4)37/h5-20H,1-4H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 490 [M+ + H], 489 [M+], 447 [M+ – C2H3O + 2 H], 369 [M+ – C8H7O], 120 [C8H8O+].HRMS–FAB (m/z): [M + H]+ calcd for C33H29O4, 489.2066; found, 489.2067.
DOI: 10.6084/m9.figshare.10013204
title: Raw data for Fig. 2A from Synthesis of cross-linked poly(acrylic acid) nanogels in an aqueous environment using precipitation polymerization: unusually high volume change

description: Raw data for relationship hydrodynamic size of the nanogels vs. pH
DOI: 10.6084/m9.figshare.10013375.v1
title: Code from Mass-based finite volume scheme for aggregation, growth and nucleation population balance equation

description: The Matlab code is developed for the finite volume scheme to solve mass based population balance equation using the notion of overlapping of the cells
DOI: 10.14272/cafyioyxmuileu-uhfffaoysa-n.1
title: 1-[4-[tris(4-acetylphenyl)methyl]phenyl]ethanone
title: InChI=1S/C33H28O4/c1-21(34)25-5-13-29(14-6-25)33(30-15-7-26(8-16-30)22(2)35,31-17-9-27(10-18-31)23(3)36)32-19-11-28(12-20-32)24(4)37/h5-20H,1-4H3

description: This dataset contains experimental data from a sample (1-[4-[tris(4-acetylphenyl)methyl]phenyl]ethanone, InChI=1S/C33H28O4/c1-21(34)25-5-13-29(14-6-25)33(30-15-7-26(8-16-30)22(2)35,31-17-9-27(10-18-31)23(3)36)32-19-11-28(12-20-32)24(4)37/h5-20H,1-4H3). 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: 10.6084/m9.figshare.10013204.v1
title: Raw data for Fig. 2A from Synthesis of cross-linked poly(acrylic acid) nanogels in an aqueous environment using precipitation polymerization: unusually high volume change

description: Raw data for relationship hydrodynamic size of the nanogels vs. pH
DOI: 10.14272/cafyioyxmuileu-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-[4-[tris(4-acetylphenyl)methyl]phenyl]ethanone)
title: InChI=1S/C33H28O4/c1-21(34)25-5-13-29(14-6-25)33(30-15-7-26(8-16-30)22(2)35,31-17-9-27(10-18-31)23(3)36)32-19-11-28(12-20-32)24(4)37/h5-20H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3058 (vw), 3009 (vw), 2962 (vw), 2912 (vw), 1676 (vs), 1642 (w), 1601 (s), 1570 (w), 1422 (w), 1405 (m), 1360 (s), 1269 (vs), 1193 (w), 1167 (w), 1123 (w), 1077 (w), 1016 (m), 960 (m), 843 (w), 822 (vs), 754 (w), 747 (w), 717 (s), 636 (vw), 606 (w), 591 (vs), 530 (w), 501 (w), 470 (w), 408 (vw) cm–1.
DOI: 10.6084/m9.figshare.10013195
title: processed_differential_genes.tar.gz

description: Processed microarray datasets of all time series included in this mechanistic inference study:<br>https://github.com/ignaciot/MechSpy<br>
DOI: 10.6084/m9.figshare.10013198
title: Raw data for Fig. 2B from Synthesis of cross-linked poly(acrylic acid) nanogels in an aqueous environment using precipitation polymerization: unusually high volume change

description: Raw data for size distribution of the nanogels at selected pH
DOI: 10.6084/m9.figshare.10013201
title: Raw data for Fig. 3 from Synthesis of cross-linked poly(acrylic acid) nanogels in an aqueous environment using precipitation polymerization: unusually high volume change

description: Raw data for relationship Zeta potential of the nanogels vs. pH
DOI: 10.6084/m9.figshare.10013189
title: all_labels.tsv

description: Labels for each concept used in the mechanistic inference process, for the framework available at:<br><code>https://github.com/ignaciot/MechSpy</code><br>
DOI: 10.6084/m9.figshare.10013198.v1
title: Raw data for Fig. 2B from Synthesis of cross-linked poly(acrylic acid) nanogels in an aqueous environment using precipitation polymerization: unusually high volume change

description: Raw data for size distribution of the nanogels at selected pH