Analytical, Measurements and Physical Chemistry

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• README file for manuscript "I2BODIPY as a new photoswitchable spin label for orientation-resolved light-induced pulsed EPR dipolar spectroscopy exploiting magnetophotoselection effects"

  Bertran, A. (Creator), Panariti, D. (Creator), Ciuti, S. (Creator), Rogers, C. (Creator), Wang, H. (Creator), Zhao, J. (Creator), Timmel, C. R. (Creator), Gobbo, M. (Creator), Barbon, A. (Creator), Valentin, M. D. (Creator) & Bowen, A. M. (Creator), University of Manchester Figshare, 1 Nov 2024

  DOI: 10.48420/25343338, https://figshare.manchester.ac.uk/articles/dataset/README_file_for_manuscript_I2BODIPY_as_a_new_photoswitchable_spin_label_for_orientation-resolved_light-induced_pulsed_EPR_dipolar_spectroscopy_exploiting_magnetophotoselection_effects_/25343338

  Dataset

• Density Functional Theory calculations for manuscript "I2BODIPY as a new photoswitchable spin label for orientation-resolved light-induced pulsed EPR dipolar spectroscopy exploiting magnetophotoselection effects"

  Bertran, A. (Creator), Panariti, D. (Creator), Ciuti, S. (Creator), Rogers, C. (Creator), Wang, H. (Creator), Zhao, J. (Creator), Timmel, C. R. (Creator), Gobbo, M. (Creator), Barbon, A. (Creator), Valentin, M. D. (Creator) & Bowen, A. (Creator), University of Manchester Figshare, 1 Nov 2024

  DOI: 10.48420/25343398, https://figshare.manchester.ac.uk/articles/dataset/Density_Functional_Theory_calculations_for_manuscript_I_sub_2_sub_BODIPY_as_a_new_photoswitchable_spin_label_for_orientation-resolved_light-induced_pulsed_EPR_dipolar_spectroscopy_exploiting_magnetophotoselection_effects_/25343398

  Dataset

• Magnetophotoselection simulations and fitting of X-band LaserIMD datasets to support publication: I2BODIPY as a new photoswitchable spin label for light-induced pulsed EPR dipolar spectroscopy exploiting magnetophotoselection

  Bowen, A. (Creator), University of Manchester Figshare, 31 Oct 2024

  DOI: 10.48420/25914619, https://figshare.manchester.ac.uk/articles/dataset/Magnetophotoselection_simulations_and_fitting_of_X-band_LaserIMD_datasets_to_support_publication_I_sub_2_sub_BODIPY_as_a_new_photoswitchable_spin_label_for_light-induced_pulsed_EPR_dipolar_spectroscopy_exploiting_magnetophotoselection/25914619

  Dataset

• 1H and 19F NMR in drug stress testing: the case of voriconazole

  Nilsson, M. (Contributor), University of Manchester, 10 Jul 2017

  DOI: 10.17632/9pc5pyrp7c.2, https://data.mendeley.com/datasets/9pc5pyrp7c/2/files/361072f5-0b8b-4984-b9bf-8e5164f7e454/DATA.zip

  Dataset

• experimental data for the PUREST experiment

  Nilsson, M. (Creator), University of Manchester Figshare, 31 Aug 2022

  DOI: 10.48420/20004170.v1, https://figshare.manchester.ac.uk/articles/dataset/experimental_data_for_the_PUREST_experiment/20004170/1

  Dataset

• GEMSTONE-ROESY NMR data

  Castanar Acedo, L. (Creator), Adams, R. (Creator), Morris, G. (Creator) & Nilsson, M. (Creator), University of Manchester Figshare, 19 Jan 2023

  DOI: 10.48420/21905049, https://figshare.manchester.ac.uk/articles/dataset/GEMSTONE-ROESY_NMR_data/21905049

  Dataset

• Light‑FESTA: enhancing characteristic 1H signal patterns of fluorinated molecules

  Castanar Acedo, L. (Creator), Morris, G. (Creator), Nilsson, M. (Creator), Golovanov, A. P. (Creator), Smith, M. (Creator) & Bramham, J. E. (Creator), University of Manchester Figshare, 5 Jul 2023

  DOI: 10.48420/23056013, https://figshare.manchester.ac.uk/articles/dataset/Light_FESTA_enhancing_characteristic_1H_signal_patterns_of_fluorinated_molecules/23056013 and one more link, https://figshare.manchester.ac.uk/articles/dataset/Light_FESTA_enhancing_characteristic_1H_signal_patterns_of_fluorinated_molecules/23056013/1 (show fewer)

  Dataset

• SABRE enhanced real time pure shift NMR spectroscopy

  Adams, R. (Creator), Natrajan, L. (Contributor), Nilsson, M. (Contributor) & Taylor, D. (Contributor), Mendeley Data, 6 Oct 2022

  DOI: 10.17632/yny58vg395.1, https://data.mendeley.com/datasets/yny58vg395

  Dataset

• Relaxational signal attenuation during selective pulses

  Li, R. (Creator), Castanar acedo, L. (Creator), Nilsson, M. (Creator) & Morris, G. (Creator), University of Manchester Figshare, 16 Nov 2022

  DOI: 10.48420/20349324.v1, https://figshare.manchester.ac.uk/articles/online_resource/Relaxational_signal_attenuation_during_selective_pulses/20349324/1

  Dataset

• Acetone NMR data

  Bennett, T. (Creator), Geue, N. (Creator), Timco:, G. (Creator), Whitehead, G. (Creator), Vitorica-Yrezebal, I. J. (Creator), Barran, P. (Creator), Mcinnes, E. (Creator) & Winpenny, R. (Creator), University of Manchester Figshare, 11 Dec 2023

  DOI: 10.48420/24771504, https://figshare.manchester.ac.uk/articles/dataset/Acetone_NMR_data/24771504

  Dataset

• Experimental data for "Resolving the complexity in human milk oligosaccharides using pure shift methods and CASPER"

  Nilsson, M. (Creator), University of Manchester Figshare, 21 Apr 2023

  DOI: 10.48420/22270126, https://figshare.manchester.ac.uk/articles/dataset/Experimental_data_for_Resolving_the_complexity_in_human_milk_oligosaccharides_using_pure_shift_methods_and_CASPER_/22270126

  Dataset

• Combined Data - Compound [1(2E)3]

  Loci, L. (Creator), Lockyer, S. (Creator), Bennett, T. S. (Creator), Rogers, C. J. (Creator), Brookfield, A. (Creator), Timco, G. (Creator), Miller, J. J. (Creator), Whitehead, G. F. S. (Creator), Nawaz, S. (Creator), Winpenny, R. E. P. (Creator) & Bowen, A. M. (Creator), University of Manchester Figshare, 3 Apr 2024

  DOI: 10.48420/23295236, https://figshare.manchester.ac.uk/articles/dataset/Combined_Data_-_Compound_b_1_b_b_2E_b_sub_3_sub_/23295236

  Dataset

• Combined Data - Compound [1(2B)3]

  Loci, L. (Creator), Lockyer, S. J. (Creator), Bennett, T. S. (Creator), Rogers, C. J. (Creator), Brookfield, A. (Creator), Timco, G. (Creator), Miller, J. J. (Creator), Whitehead, G. F. S. (Creator), Nawaz, S. (Creator), Winpenny, R. E. P. (Creator) & Bowen, A. M. (Creator), University of Manchester Figshare, 3 Apr 2024

  DOI: 10.48420/23295209, https://figshare.manchester.ac.uk/articles/dataset/Combined_Data_-_Compound_b_1_b_b_2B_b_sub_3_sub_/23295209

  Dataset

• Kinetic NMR spectra 700MHz

  Bennett, T. (Creator), Geue, N. (Creator), Timco, G. (Creator), Whitehead, G. (Creator), Vitorica-Yrezabal, I. J. (Creator), Barran, P. (Creator), Mcinnes, E. (Creator) & Winpenny, R. (Creator), University of Manchester Figshare, 11 Dec 2023

  DOI: 10.48420/24771522, https://figshare.manchester.ac.uk/articles/dataset/Kinetic_NMR_spectra_700MHz/24771522

  Dataset

• Parameter estimation simulation data COPASI

  Bennett, T. (Creator), Geue, N. (Creator), Timco, G. (Creator), Whitehead, G. (Creator), Vitorica-Yrezabal, I. J. (Creator), Barran, P. (Creator), Mcinnes, E. (Creator) & Winpenny, R. (Creator), University of Manchester Figshare, 11 Dec 2023

  DOI: 10.48420/24771570, https://figshare.manchester.ac.uk/articles/dataset/Parameter_estimation_simulation_data_COPASI/24771570

  Dataset

• Primary Data (Shorter Tau) - Compound [1(2E)3]

  Loci, L. (Creator), Lockyer, S. (Creator), Bennett, T. S. (Creator), J. Rogers, C. (Creator), Brookfield, A. (Creator), Timco, G. (Creator), Miller, J. J. (Creator), Whitehead, G. F. S. (Creator), Nawaz, S. (Creator), Winpenny, R. E. P. (Creator) & Bowen, A. M. (Creator), University of Manchester Figshare, 3 Apr 2024

  DOI: 10.48420/23269196, https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Shorter_Tau_-_Compound_b_1_b_b_2E_b_sub_3_sub_/23269196

  Dataset

• Pure shift FESTA: An ultra-high resolution NMR tool for the analysis of complex fluorine-containing spin systems

  Castanar Acedo, L. (Creator), Mycroft, C. (Creator), Morris, G. (Creator), Nilsson, M. (Creator) & Smith, M. (Creator), University of Manchester Figshare, 5 Sept 2023

  DOI: 10.48420/23566410, https://figshare.manchester.ac.uk/articles/dataset/_strong_Pure_shift_FESTA_An_ultra-high_resolution_NMR_tool_for_the_analysis_of_complex_fluorine-containing_systems_strong_/23566410

  Dataset

• Ultra selective 1D clean in phase correlation spectroscopy - Publication Data

  Adams, R. W. (Creator), Taylor, D. A. (Creator), Morris, G. A. (Creator), Nilsson, M. (Creator) & Castañar, L. (Creator), University of Manchester Figshare, 25 Apr 2023

  DOI: 10.48420/21909600, https://figshare.manchester.ac.uk/articles/dataset/Ultra_selective_1D_clean_in_phase_correlation_spectroscopy_-_Publication_Data/21909600

  Dataset

• Thermodynamic NMR data

  Bennett, T. (Creator), Geue, N. (Creator), Timco, G. (Creator), Whitehead, G. (Creator), Vitorica-Yrezabal, I. J. (Creator), Barran, P. (Creator), Mcinnes, E. (Creator) & Winpenny, R. (Creator), University of Manchester Figshare, 11 Dec 2023

  DOI: 10.48420/24771705, https://figshare.manchester.ac.uk/articles/dataset/Thermodynamic_NMR_data/24771705

  Dataset

• Solvent suppression in pure shift NMR

  Castanar Acedo, L. (Creator), Gates, E. L. (Creator), Adams, R. (Creator), Morris, G. (Creator) & Nilsson, M. (Creator), University of Manchester Figshare, 27 Nov 2023

  DOI: 10.48420/24600114.v1, https://figshare.manchester.ac.uk/articles/dataset/Solvent_suppression_in_pure_shift_NMR/24600114/1

  Dataset

• Primary Data (Longer Tau) - Compound [1(2B)3]

  Loci, L. (Creator), Lockyer, S. (Creator), Bennett, T. S. (Creator), Rogers, C. J. (Creator), Brookfield, A. (Creator), Timco, G. (Creator), Miller, J. J. (Creator), Whitehead, G. F. S. (Creator), Nawaz, S. (Creator), Winpenny, R. E. P. (Creator) & Bowen, A. M. (Creator), University of Manchester Figshare, 3 Apr 2024

  DOI: 10.48420/23276207, https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Longer_Tau_-_Compound_b_1_b_b_2B_b_sub_3_sub_/23276207

  Dataset

• Primary Data - Compound [1(2D)3]

  Loci, L. (Creator), Lockyer, S. (Creator), Bennett, T. S. (Creator), Rogers, C. J. (Creator), Brookfield, A. (Creator), Timco, G. (Creator), Miller, J. J. (Creator), Whitehead, G. F. S. (Creator), Nawaz, S. (Creator), Winpenny, R. E. P. (Creator) & Bowen, A. M. (Creator), University of Manchester Figshare, 3 Apr 2024

  DOI: 10.48420/23269190, https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_-_Compound_b_1_b_b_2D_b_sub_3_sub_/23269190

  Dataset

• Primary Data (Longer Tau) - Compound [1(2A)3]

  Loci, L. (Creator), Lockyer, S. J. (Creator), Bennett, T. S. (Creator), Rogers, C. J. (Creator), Brookfield, A. (Creator), Timco, G. (Creator), Miller, J. J. (Creator), Whitehead, G. F. S. (Creator), Nawaz, S. (Creator), Winpenny, R. E. P. (Creator) & Bowen, A. M. (Creator), University of Manchester Figshare, 3 Apr 2024

  DOI: 10.48420/23276132, https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Longer_Tau_-_Compound_b_1_b_b_2A_b_sub_3_sub_/23276132

  Dataset

• README file for data repository for manuscript "Conformational information from orientationally selective Light-Induced Triplet–Triplet Electron Resonance spectroscopy"

  Bertran, A. (Creator), De Zotti, M. (Creator), Timmel, C. R. (Creator), Di Valentin, M. (Creator), Bowen, A. (Creator) & Timmel, C. R. (Creator), University of Manchester Figshare, 17 Apr 2023

  DOI: 10.48420/22172840, https://figshare.manchester.ac.uk/articles/dataset/README_file_for_data_repository_for_manuscript_Conformational_information_from_orientationally_selective_Light-Induced_Triplet_Triplet_Electron_Resonance_spectroscopy_/22172840

  Dataset

• Arika Hisatsune MSc dissertation data

  Morris, G. (Creator) & Hisatsune, A. (Contributor), Mendeley Data, 12 Dec 2022

  DOI: 10.17632/2zvkcp3hjf.1, https://data.mendeley.com/datasets/2zvkcp3hjf

  Dataset