cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fbcnt
title: CCDC 2244296: Experimental Crystal Structure Determination

description: Related Article: Xia Hao, Chensheng Lin, Min Luo, Yuqiao Zhou, Ning Ye, Enbo Shangguan|2023|Inorg.Chem.|62|7611|doi:10.1021/acs.inorgchem.3c00802
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fbcpv
title: CCDC 2244297: Experimental Crystal Structure Determination

description: Related Article: Xia Hao, Chensheng Lin, Min Luo, Yuqiao Zhou, Ning Ye, Enbo Shangguan|2023|Inorg.Chem.|62|7611|doi:10.1021/acs.inorgchem.3c00802
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fbcqw
title: CCDC 2244298: Experimental Crystal Structure Determination

description: Related Article: Xia Hao, Chensheng Lin, Min Luo, Yuqiao Zhou, Ning Ye, Enbo Shangguan|2023|Inorg.Chem.|62|7611|doi:10.1021/acs.inorgchem.3c00802
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fbcrx
title: CCDC 2244299: Experimental Crystal Structure Determination

description: Related Article: Xia Hao, Chensheng Lin, Min Luo, Yuqiao Zhou, Ning Ye, Enbo Shangguan|2023|Inorg.Chem.|62|7611|doi:10.1021/acs.inorgchem.3c00802
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fbcsy
title: CCDC 2244300: Experimental Crystal Structure Determination

description: Related Article: Xia Hao, Chensheng Lin, Min Luo, Yuqiao Zhou, Ning Ye, Enbo Shangguan|2023|Inorg.Chem.|62|7611|doi:10.1021/acs.inorgchem.3c00802
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fd8jn
title: CCDC 2246121: Experimental Crystal Structure Determination

description: Related Article: Bhanu Prasad Banda, Nagaraju Medishetti, Jagadeesh Babu Nanubolu, Krishnaiah Atmakur|2023|Org.Biomol.Chem.|21|4434|doi:10.1039/D3OB00472D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fp3t2
title: CCDC 2254624: Experimental Crystal Structure Determination

description: Related Article: Yun-Peng Zou, Zheng-Lin Lai, Meng-Wei Zhang, Jianzhao Peng, Shuai Ning, Chuang-Chuang Li|2023|J.Am.Chem.Soc.|145|10998|doi:10.1021/jacs.3c03755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fp53f
title: CCDC 2254664: Experimental Crystal Structure Determination

description: Related Article: Yun-Peng Zou, Zheng-Lin Lai, Meng-Wei Zhang, Jianzhao Peng, Shuai Ning, Chuang-Chuang Li|2023|J.Am.Chem.Soc.|145|10998|doi:10.1021/jacs.3c03755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fp7jx
title: CCDC 2254739: Experimental Crystal Structure Determination

description: Related Article: Yun-Peng Zou, Zheng-Lin Lai, Meng-Wei Zhang, Jianzhao Peng, Shuai Ning, Chuang-Chuang Li|2023|J.Am.Chem.Soc.|145|10998|doi:10.1021/jacs.3c03755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fp7n1
title: CCDC 2254743: Experimental Crystal Structure Determination

description: Related Article: Yun-Peng Zou, Zheng-Lin Lai, Meng-Wei Zhang, Jianzhao Peng, Shuai Ning, Chuang-Chuang Li|2023|J.Am.Chem.Soc.|145|10998|doi:10.1021/jacs.3c03755
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fqbs9
title: CCDC 2255801: Experimental Crystal Structure Determination

description: Related Article: Yuan-Hong Tian, Han Qin, Man-Hua Ding, Lin-Li Tang, Fei Zeng|2023|RSC Advances|13|14539|doi:10.1039/D3RA02447D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17037/data.00003436
title: Clinical codelist - eating disorders - aurum

description: Read, SNOME and EMIS codes for eating disorders.
DOI: 10.5281/zenodo.7520581
title: Nanocrystalline Flash Annealed Nickel Oxide for Large Area Perovskite Solar Cells

description: Dataset supporting the manuscript "Nanocrystalline Flash Annealed Nickel Oxide for Large Area Perovskite Solar Cells" published in Advanced Science (DOI:10.1002/advs.202302549) Datasets are named according to the corresponding figures, with data related to each panel named according to the panel. Further complementary information about the data can be found in the README files.
DOI: 10.5281/zenodo.7520580
title: Nanocrystalline Flash Annealed Nickel Oxide for Large Area Perovskite Solar Cells

description: Dataset supporting the manuscript "Nanocrystalline Flash Annealed Nickel Oxide for Large Area Perovskite Solar Cells" published in Advanced Science (DOI:10.1002/advs.202302549) Datasets are named according to the corresponding figures, with data related to each panel named according to the panel. Further complementary information about the data can be found in the README files.
DOI: 10.5281/zenodo.7966245
title: Physico-chemical characterization of sterilized AlOOH nanoparticles by XPS / HAXPES / SEM

description: Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. AlOOH nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifiers in the project: ERM00000396, ERM00000438, ERM00000417). The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA. Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers. First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started. Equipment: SEM images were acquired with a <em>Supra 40 </em>(Zeiss) SEM equipped with a <em>Quantax 400 </em>(Bruker) SDD EDS spectrometer. For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (<em>Quantes </em>from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position. Data: For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files. Naming of data: SEM: <em>sample_treatment (n)</em>, with n a consecutive number. XPS / HAXPES: For the .spe and for the corresponding .npl files <em>Pn.m.o.sample_treatment, </em>with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave. The authors thank Sigrid Benemann, who performed the SEM measurements.
DOI: 10.5281/zenodo.7966244
title: Physico-chemical characterization of sterilized AlOOH nanoparticles by XPS / HAXPES / SEM

description: Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. AlOOH nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifiers in the project: ERM00000396, ERM00000438, ERM00000417). The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA. Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers. First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started. Equipment: SEM images were acquired with a <em>Supra 40 </em>(Zeiss) SEM equipped with a <em>Quantax 400 </em>(Bruker) SDD EDS spectrometer. For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (<em>Quantes </em>from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position. Data: For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files. Naming of data: SEM: <em>sample_treatment (n)</em>, with n a consecutive number. XPS / HAXPES: For the .spe and for the corresponding .npl files <em>Pn.m.o.sample_treatment, </em>with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave. The authors thank Sigrid Benemann, who performed the SEM measurements.
DOI: 10.17037/data.00003435
title: Clinical codelist - eating disorders - gold

description: Read codes related to eating disorders.
DOI: 10.5519/qd.91jtn5it
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.21942/uva.20459517
title: Photoinduced Halogen-Atom Transfer by N-heterocyclic carbene boryl radicals for C(sp3)−C(sp3) bond formation

description: Primary NMR FID files for synthesized starting materials, products <strong>3-40</strong>, as well as optimized geometries of species reported in Figure 4e, IRC and PES profiles.
DOI: 10.21942/uva.20459517.v2
title: Photoinduced Halogen-Atom Transfer by N-heterocyclic carbene boryl radicals for C(sp3)−C(sp3) bond formation

description: Primary NMR FID files for synthesized starting materials, products <strong>3-40</strong>, as well as optimized geometries of species reported in Figure 4e, IRC and PES profiles.
DOI: 10.21942/uva.20459517.v1
title: Photoinduced Halogen-Atom Transfer by N-heterocyclic carbene boryl radicals for C(sp3)−C(sp3) bond formation

description: Primary NMR FID files for synthesized starting materials, products <strong>3-40</strong>, as well as optimized geometries of species reported in Figure 4e, IRC and PES profiles.
DOI: 10.17037/data.00003434
title: Clinical codelist - eating disorders - HES

description: ICD-10 codes for eating disorders.
DOI: 10.5281/zenodo.7941462
title: Physico-chemical characterization of sterilized CeO2 nanoparticles by XPS / HAXPES / SEM

description: Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. CeO<sub>2</sub> nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifier in the project: ERM00000398, ERM00000440, ERM00000419). The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA. Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers. First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started. Equipment: SEM images were acquired with a <em>Supra 40 </em>(Zeiss) SEM equipped with a <em>Quantax 400 </em>(Bruker) SDD EDS spectrometer. For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (<em>Quantes </em>from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position. Data: For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files. Naming of data: SEM: <em>sample_treatment (n)</em>, with n a consecutive number. XPS / HAXPES: For the .spe files <em>Pn.m.o.sample_treatment</em> and for the corresponding .npl files: <em>m.npl</em> with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave. The authors thank Sigrid Benemann, who performed the SEM measurements.
DOI: 10.5281/zenodo.7941461
title: Physico-chemical characterization of sterilized CeO2 nanoparticles by XPS / HAXPES / SEM

description: Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. CeO<sub>2</sub> nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifier in the project: ERM00000398, ERM00000440, ERM00000419). The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA. Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers. First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started. Equipment: SEM images were acquired with a <em>Supra 40 </em>(Zeiss) SEM equipped with a <em>Quantax 400 </em>(Bruker) SDD EDS spectrometer. For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (<em>Quantes </em>from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position. Data: For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files. Naming of data: SEM: <em>sample_treatment (n)</em>, with n a consecutive number. XPS / HAXPES: For the .spe files <em>Pn.m.o.sample_treatment</em> and for the corresponding .npl files: <em>m.npl</em> with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave. The authors thank Sigrid Benemann, who performed the SEM measurements.
DOI: 10.17037/data.00003433
title: Clinical codelist - serum creatinine - gold

description: Read codes for serum creatinine.
DOI: 10.21942/uva.20237352.v2
title: The Merger of Benzophenone HAT Photocatalysis and Silyl Radical-induced XAT enables both Nickel-catalyzed Cross-Electrophile Coupling and 1,2-Dicarbofunctionalization of Olefins

description: Primary NMR FID files for compounds <strong>3</strong>−<strong>36 </strong>and <strong>38</strong>−<strong>54</strong>.
DOI: 10.21942/uva.20237352
title: The Merger of Benzophenone HAT Photocatalysis and Silyl Radical-induced XAT enables both Nickel-catalyzed Cross-Electrophile Coupling and 1,2-Dicarbofunctionalization of Olefins

description: Primary NMR FID files for compounds <strong>3</strong>−<strong>36 </strong>and <strong>38</strong>−<strong>54</strong>.
DOI: 10.21942/uva.20237352.v1
title: The Merger of Benzophenone HAT Photocatalysis and Silyl Radical-induced XAT enables both Nickel-catalyzed Cross-Electrophile Coupling and 1,2-Dicarbofunctionalization of Olefins

description: Primary NMR FID files for compounds <strong>3</strong>−<strong>36 </strong>and <strong>38</strong>−<strong>54</strong>.
DOI: 10.21942/uva.17040392.v3
title: Accelerated and Scalable C(sp3)–H Amination via Decatungstate Photocatalysis Using a Flow Photoreactor Equipped with High-Intensity LEDs

description: Primary NMR FID files for compounds <b>3−38</b>
DOI: 10.21942/uva.17040392
title: Accelerated and Scalable C(sp3)–H Amination via Decatungstate Photocatalysis Using a Flow Photoreactor Equipped with High-Intensity LEDs

description: Primary NMR FID files for compounds <b>3−38</b>
DOI: 10.21942/uva.17040392.v2
title: Accelerated and Scalable C(sp3)–H Amination via Decatungstate Photocatalysis Using a Flow Photoreactor Equipped with High-Intensity LEDs

description: Primary NMR FID files for compounds <b>3−38</b>
DOI: 10.6084/m9.figshare.23275817
title: The transcriptome of human PBMCs incubated with or without Indoxyl sulfate-(Trans.fpkm) The pharmacokinetics of tacrolimus in PBMCs and whole blood of the two rat models of CKD-(MS data)

description: Human PBMCs were isolated from a healthy male Chinese volunteer, then resuspended in RPMI containing 10% FBS under standard cell culture conditions (humidified atmosphere, 5% CO2, and 37 ℃). Indoxyl sulfate (Sigma) was dissolved in RPMI containing 10% FBS and diluted to 0.2 mM in the range of recipients with CKD. Transcriptome analysis of PBMCs was then performed. Tac blood concentration measurement was performed using an HPLC-MS/MS system comprising an Agilent-1260 system and an API4000 triple quadrupole mass spectrometer (Applied Biosystems, Singapore) in positive mode. The analyte was separated on an ACE C18 column (20×2.1 mm, 2 μm) with an XDB pre-column. The mobile phase consisted of Phase A (water containing 10 mM Ammonium acetate with 0.1% Formic acid) and Phase B (Acetonitrile containing 0.1% Formic acid) at 20% (0-0.01 minutes), 40% (0.3 minutes), 60% (0.8 minutes), 80% (1.2 minutes), 95% (1.5 minutes), 98% (1.8 minutes), 95% (4.5 minutes), 60% (4.6 minutes), 40% (4.8 minutes), 20% (5-6 minutes). Multiple reaction monitoring modes had the m/z transitions of 821.8/768.6 (TAC); 931.8/864.7 (sirolimus [IS]). The linear range for the calibration curve in WB was 0.5-150 ng∙mL-1, and the lower limit of quantitation was 0.5 ng∙mL-1 PBMCs TAC concentration measurement was performed using a UPLC-MS/MS system comprising an LC30-AD (Shimadzu, Kyoto, Japan) system and an API5500 triple quadrupole mass spectrometer (Applied Biosystems, Singapore) in positive mode. The analyte was separated on a Waters C18 column (50×2.1 mm, 1.7 μm). The mobile phase consisted of Phase A (water containing 2 mM Ammonium format with 0.1% Formic acid) and Phase B (methanol) at 25% (0-0.5 minutes), 40% (1 minute), 60% (1.2 minutes), 80% (1.5 minutes), 95% (2 minutes), 95% (4.5 minutes), 60% (4.6 minutes), 40% (4.8 minutes), 25% (5-6 minutes). Multiple reaction monitoring modes had the m/z transitions of 821.8/768.6 (TAC); 931.8/864.7 (sirolimus [IS]). The method was validated according to Clinical Laboratory Standard Institute (CLSI) guidelines and showed high sensitivity and specificity over a range of 0.005-2.5 ng∙10-6 PBMCs in PBMC.