cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7910/dvn/mfmfqy
title: eyecite: A tool for parsing legal citations

description: eyecite is a Python package for high-performance extraction of legal citations from text. This is the archived version of the code that was published with the JOSS paper. See https://github.com/freelawproject/eyecite for more information.
DOI: 10.6084/m9.figshare.14938056
title: More is not always better - the double-headed role of fibronectin in Staphylococcus aureus host cell invasion

description: This data file contains additional immunofluorescence microscopy images, images from Western blots and raw data used for the manuscript "More is not always better - the double-headed role of fibronectin in Staphylococcus aureus host cell invasion"<br>
DOI: 10.6084/m9.figshare.16574801.v1
title: A Collection of Building Footprint Data in US Counties_Part 5

description: This figshare repository is a collection of building footprint in US Counties. See the references below for more details.<br>References:Heris, M.P., Foks, N.L., Bagstad, K.J. et al. A rasterized building footprint dataset for the United States. Sci Data 7, 207 (2020). https://doi.org/10.1038/s41597-020-0542-3
DOI: 10.6084/m9.figshare.16574774.v1
title: A Collection of Building Footprint Data in US Counties_Part 4

description: This figshare repository is a collection of building footprint in US Counties. See the references below for more details.<br>References:Heris, M.P., Foks, N.L., Bagstad, K.J. et al. A rasterized building footprint dataset for the United States. Sci Data 7, 207 (2020). https://doi.org/10.1038/s41597-020-0542-3
DOI: 10.6084/m9.figshare.16574741.v1
title: A Collection of Building Footprint Data in US Counties_Part 3

description: This figshare repository is a collection of building footprint in US Counties. See the references below for more details.<br>References:Heris, M.P., Foks, N.L., Bagstad, K.J. et al. A rasterized building footprint dataset for the United States. Sci Data 7, 207 (2020). https://doi.org/10.1038/s41597-020-0542-3
DOI: 10.6084/m9.figshare.16757044
title: Data extraction files _maternal influenza SR

description: Detailed description of screening and data extraction of all selected studies for maternal influenza vaccine systematic review
DOI: 10.6084/m9.figshare.16757044.v1
title: Data extraction files _maternal influenza SR

description: Detailed description of screening and data extraction of all selected studies for maternal influenza vaccine systematic review
DOI: 10.5281/zenodo.5497601
title: Zivkovic_K2Ni2_PRL_2021

description: Data used to create figures in the article published in Physical Review Letters.
DOI: 10.5281/zenodo.5497600
title: Zivkovic_K2Ni2_PRL_2021

description: Data used to create figures in the article published in Physical Review Letters.
DOI: 10.48370/ofd/c8riyl/oebkjx
title: HMW_Poa_bulbosa_L._H_7987.jpg

description: :unav
DOI: 10.48370/ofd/c8riyl
title: Wiechlina cebulkowata (Poa bulbosa L.), 7987

description: Herbarium
DOI: 10.48370/ofd/5n1xfr/oigpuc
title: HMW_Poa_bulbosa_L._H_6825.jpg

description: :unav
DOI: 10.48370/ofd/5n1xfr
title: Wiechlina cebulkowata (Poa bulbosa L.), 6825

description: Herbarium
DOI: 10.48370/ofd/vmlosj/rhdxjl
title: HMW_Poa_bulbosa_L._H_7175.jpg

description: :unav
DOI: 10.48370/ofd/vmlosj
title: Wiechlina cebulkowata (Poa bulbosa L.), 7175

description: Herbarium
DOI: 10.5281/zenodo.5553685
title: Phonological feature mapping for FeatureTTS

description: This is a mapping between: APRAbet and SAMPA Pinyin and SAMPA-SC SAMPA/SAMPA-SC and Phonological features (FUL-based)
DOI: 10.5281/zenodo.5553684
title: Phonological feature mapping for FeatureTTS

description: This is a mapping between: APRAbet and SAMPA Pinyin and SAMPA-SC SAMPA/SAMPA-SC and Phonological features (FUL-based)
DOI: 10.6084/m9.figshare.15042972
title: Chan_Ooi_Guja_Polyploidy Pomaderris data

description: This is a dataset used to compare dormancy, germination and seedling growth traits amongs species with different ploidy levels. The focus genus is Pomaderris from southeastern Australia
DOI: 10.15151/esrf-es-498150213
title: Heidelberg BAG (HeidelBAG)

description: The HeidelBAG unifies structural efforts of the EMBL, the Heidelberg University Biochemistry Center (BZH), and the German Cancer Research Center (DKFZ). Central to all projects are large assemblies involved in chromosome organization and transcription control, in nuclear and cytoplasmic RNA regulation, in translational control as ribosome associated factors or further on in protein targeting, membrane protein insertion or post-translational modification. As new members, Mandy Jeske from BZH adds projects on early embryonic development in Drosophila and Erec Stebbins from DKFZ on immune evasion of the African trypanosome T. brucei. Nearly all projects make use of integrated structural biology techniques (MX, SAXS/SANS, NMR, cryo-EM) combined with complementary biophysical, biochemical and cell biological approaches, a strategy that warrantied the continuous success of the BAG. More and more pathological implications of the studied central cellular processes come into focus.
DOI: 10.15151/esrf-es-565847755
title: RIXS investigation of double-chain superconducting cuprate YBa2Cu4O8

description: The direct observation and characterization of both collective spin excitations, proposed to be crucial to pairing, and charge density waves (CDW), which compete with superconductivity and are ubiquitous in all cuprate families, proved to be extremely important for our knowledge of high-Tc compounds. A big component of this years-long RIXS quest aimed at understanding spin and charge ordering phenomena in cuprates has focused on YBa2Cu3O6+x as a model system, owing to its limited doping-induced disorder. Sporting a similar crystal structure but hosting a double chain layer, YBa2Cu4O8 (Y124) is the only cuprate possessing a stoichiometric composition with highly robust oxygen content, thereby offering a unique, defect-free system for investigations in the underdoped regime. However, to date the reduced dimension of single crystals complicated the alignment and measurements of Y124 in standard soft RIXS setups.
DOI: 10.15151/esrf-es-569484363
title: Holographic and near-field ptychographic X-ray computed tomography of Al-Zr-Fe alloys

description: Holographic and near-field ptychographic X-ray computed tomography of Al-Zr-Fe alloys (InnovaXN)
DOI: 10.6084/m9.figshare.16755592.v1
title: CaO_w135-w90.7z

description: Abundance and distribution of oxide abundances and Mg# values generated from KAGUYA multiband imager (MI) spectra<br>
DOI: 10.6084/m9.figshare.16755592
title: CaO_w135-w90.7z

description: Abundance and distribution of oxide abundances and Mg# values generated from KAGUYA multiband imager (MI) spectra<br>
DOI: 10.25345/c5d28z
title: MassIVE MSV000088200 - Development and characterization of human fetal female reproductive tract organoids to understand Mullerian duct anomalies
title: Proteomic characterization of human fetal female reproductive tract organoids to understand Mullerian duct anomalies.
DOI: 10.5519/qd.bdygv9gm
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (140 records)
DOI: 10.5519/qd.v3v84d96
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3 records)
DOI: 10.26106/hykf-nf75
title: Afektywno-poznawcze predyktory binge-watchingu : baza danych - concept
title: Affective-cognitive predictors of binge-watching : a database - concept
DOI: 10.5281/zenodo.5552353
title: PodcastMix - a dataset for separating music and speech in podcasts

description: We introduce PodcastMix, a dataset formalizing the task of separating background music and foreground speech in podcasts. It contains audio files at 44.1kHz and the corresponding metadata. For further details check the following paper and the associated GitHub repository: N. Schmidt, J. Pons, M. Miron, "Score-informed source separation for multi-channel orchestral recordings", submitted to ICASSP (2022) https://github.com/MTG/Podcastmix This dataset contains four parts (we highlight the content of the zenodo archives within brackets]: [metadata] PodcastMix-synth train: large and diverse training set that is programatically generated (with a validation partition). The mixtures are created programatically with music from Jamendo and speech from the VCTK dataset. [metadata] PodcastMix-synth test a programatically generated test set with reference stems to compute evaluation metrics. The mixtures are created programatically with music from Jamendo and speech from the VCTK dataset. [audio and metadata] PodcastMix-real with-reference : a test set with real podcasts with reference stems to compute evaluation metrics. The podcasts are recorded by one of the authors and the source of the music is the FMA dataset. [audio and metadata] PodcastMix-real no-reference: a test set with real podcasts with only the podcasts mixes for subjective evaluation. The podcasts are compiled from the internet. <br> This dataset is created by Nicolas Schmidt, Marius Miron, Music Technology Group - Universitat Pompeu Fabra (Barcelona) and Jordi Pons - Dolby Labs. This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 Unported License (CC BY-SA 4.0). <br> Please acknowledge PodcastMix in Academic Research. When the present dataset is used for academic research, we would highly appreciate if authors quote the following publication: <br> N. Schmidt, J. Pons, M. Miron, "Score-informed source separation for multi-channel orchestral recordings", submitted to ICASSP (2022) <br> The dataset and its contents are made available on an “as is” basis and without warranties of any kind, including without limitation satisfactory quality and conformity, merchantability, fitness for a particular purpose, accuracy or completeness, or absence of errors. Subject to any liability that may not be excluded or limited by law, the UPF is not liable for, and expressly excludes, all liability for loss or damage however and whenever caused to anyone by any use of the dataset or any part of it. <br> PURPOSES. The data is processed for the general purpose of carrying out research development and innovation studies, works or projects. In particular, but without limitation, the data is processed for the purpose of communicating with Licensee regarding any administrative and legal / judicial purposes.<br>
DOI: 10.5517/ccdc.csd.cc24g7c7
title: CCDC 1979888: Experimental Crystal Structure Determination

description: Related Article: Harbi Tomah Al-Masri, Ziad Moussa|2021|Heliyon|7|e08050|doi:10.1016/j.heliyon.2021.e08050
DOI: 10.5517/ccdc.csd.cc26smzm
title: CCDC 2049471: Experimental Crystal Structure Determination

description: Related Article: Qiaoqiao Wang, Tian Zhang, Chang-Qiang Ke, Chunping Tang, Sheng Yao, Ligen Lin, Yang Ye|2021|Phytochemistry|192|112955|doi:10.1016/j.phytochem.2021.112955
DOI: 10.5517/ccdc.csd.cc26sn0p
title: CCDC 2049472: Experimental Crystal Structure Determination

description: Related Article: Qiaoqiao Wang, Tian Zhang, Chang-Qiang Ke, Chunping Tang, Sheng Yao, Ligen Lin, Yang Ye|2021|Phytochemistry|192|112955|doi:10.1016/j.phytochem.2021.112955
DOI: 10.5517/ccdc.csd.cc26sn1q
title: CCDC 2049473: Experimental Crystal Structure Determination

description: Related Article: Qiaoqiao Wang, Tian Zhang, Chang-Qiang Ke, Chunping Tang, Sheng Yao, Ligen Lin, Yang Ye|2021|Phytochemistry|192|112955|doi:10.1016/j.phytochem.2021.112955
DOI: 10.5517/ccdc.csd.cc26sn2r
title: CCDC 2049474: Experimental Crystal Structure Determination

description: Related Article: Qiaoqiao Wang, Tian Zhang, Chang-Qiang Ke, Chunping Tang, Sheng Yao, Ligen Lin, Yang Ye|2021|Phytochemistry|192|112955|doi:10.1016/j.phytochem.2021.112955
DOI: 10.5517/ccdc.csd.cc26sn3s
title: CCDC 2049475: Experimental Crystal Structure Determination

description: Related Article: Qiaoqiao Wang, Tian Zhang, Chang-Qiang Ke, Chunping Tang, Sheng Yao, Ligen Lin, Yang Ye|2021|Phytochemistry|192|112955|doi:10.1016/j.phytochem.2021.112955
DOI: 10.5517/ccdc.csd.cc26sn4t
title: CCDC 2049476: Experimental Crystal Structure Determination

description: Related Article: Qiaoqiao Wang, Tian Zhang, Chang-Qiang Ke, Chunping Tang, Sheng Yao, Ligen Lin, Yang Ye|2021|Phytochemistry|192|112955|doi:10.1016/j.phytochem.2021.112955
DOI: 10.5517/ccdc.csd.cc274dd6
title: CCDC 2059807: Experimental Crystal Structure Determination

description: Related Article: Joshua Ayoola Obaleye, Misitura Lawal, Rajendrasinh N. Jadeja, Vivek Kumar Gupta, Ginikachukwu Grace Nnabuike, Mercy Oluwaseyi Bamigboye, Hetal Roy, Olaniyi Kamil Yusuff, Abdulrafiu T. Raji|2022|J.Mol.Struct.|1249|131542|doi:10.1016/j.molstruc.2021.131542
DOI: 10.5517/ccdc.csd.cc27kncv
title: CCDC 2072547: Experimental Crystal Structure Determination

description: Related Article: Lorena Camargo-Ayala, Luis Prent-Peñaloza, Efraín Polo-Cuadrado, Iván Brito, Jonathan Cisterna, Edison Osorio, Wendy González, Margarita Gutiérrez|2022|J.Mol.Struct.|1248|131544|doi:10.1016/j.molstruc.2021.131544
DOI: 10.5517/ccdc.csd.cc27rhzh
title: CCDC 2078177: Experimental Crystal Structure Determination

description: Related Article: Yasuhiro Ohtomo, Ken Ishiwata, Shingo Hashimoto, Tatsuru Kuroiwa, Kazukuni Tahara|2021|J.Org.Chem.|86|13198|doi:10.1021/acs.joc.1c00888
DOI: 10.5517/ccdc.csd.cc27x41c
title: CCDC 2082612: Experimental Crystal Structure Determination

description: Related Article: Sagar S. Thorat, Gamidi Rama Krishna, Ravindar Kontham|2021|J.Org.Chem.|86|13572|doi:10.1021/acs.joc.1c01634
DOI: 10.5517/ccdc.csd.cc27xdvf
title: CCDC 2082885: Experimental Crystal Structure Determination

description: Related Article: Claire C. Cody, H. Ray Kelly, Brandon Q. Mercado, Victor S. Batista, Robert H. Crabtree, Gary W. Brudvig|2021|Inorg.Chem.|60|14759|doi:10.1021/acs.inorgchem.1c01958
DOI: 10.5517/ccdc.csd.cc27xdwg
title: CCDC 2082886: Experimental Crystal Structure Determination

description: Related Article: Claire C. Cody, H. Ray Kelly, Brandon Q. Mercado, Victor S. Batista, Robert H. Crabtree, Gary W. Brudvig|2021|Inorg.Chem.|60|14759|doi:10.1021/acs.inorgchem.1c01958
DOI: 10.5517/ccdc.csd.cc27xdxh
title: CCDC 2082887: Experimental Crystal Structure Determination

description: Related Article: Claire C. Cody, H. Ray Kelly, Brandon Q. Mercado, Victor S. Batista, Robert H. Crabtree, Gary W. Brudvig|2021|Inorg.Chem.|60|14759|doi:10.1021/acs.inorgchem.1c01958
DOI: 10.5517/ccdc.csd.cc27xdyj
title: CCDC 2082888: Experimental Crystal Structure Determination

description: Related Article: Claire C. Cody, H. Ray Kelly, Brandon Q. Mercado, Victor S. Batista, Robert H. Crabtree, Gary W. Brudvig|2021|Inorg.Chem.|60|14759|doi:10.1021/acs.inorgchem.1c01958
DOI: 10.5517/ccdc.csd.cc27yttv
title: CCDC 2084248: Experimental Crystal Structure Determination

description: Related Article: Shengdian Huang, Maren Pink, Thacien Ngendahimana, Suchada Rajca, Gareth R. Eaton, Sandra S. Eaton, Andrzej Rajca|2021|J.Org.Chem.|86|13636|doi:10.1021/acs.joc.1c01670
DOI: 10.5517/ccdc.csd.cc27ytvw
title: CCDC 2084249: Experimental Crystal Structure Determination

description: Related Article: Shengdian Huang, Maren Pink, Thacien Ngendahimana, Suchada Rajca, Gareth R. Eaton, Sandra S. Eaton, Andrzej Rajca|2021|J.Org.Chem.|86|13636|doi:10.1021/acs.joc.1c01670
DOI: 10.5517/ccdc.csd.cc27ytwx
title: CCDC 2084250: Experimental Crystal Structure Determination

description: Related Article: Shengdian Huang, Maren Pink, Thacien Ngendahimana, Suchada Rajca, Gareth R. Eaton, Sandra S. Eaton, Andrzej Rajca|2021|J.Org.Chem.|86|13636|doi:10.1021/acs.joc.1c01670
DOI: 10.5517/ccdc.csd.cc27ytxy
title: CCDC 2084251: Experimental Crystal Structure Determination

description: Related Article: Shengdian Huang, Maren Pink, Thacien Ngendahimana, Suchada Rajca, Gareth R. Eaton, Sandra S. Eaton, Andrzej Rajca|2021|J.Org.Chem.|86|13636|doi:10.1021/acs.joc.1c01670
DOI: 10.5517/ccdc.csd.cc27ytyz
title: CCDC 2084252: Experimental Crystal Structure Determination

description: Related Article: Shengdian Huang, Maren Pink, Thacien Ngendahimana, Suchada Rajca, Gareth R. Eaton, Sandra S. Eaton, Andrzej Rajca|2021|J.Org.Chem.|86|13636|doi:10.1021/acs.joc.1c01670
DOI: 10.5517/ccdc.csd.cc27zdd1
title: CCDC 2084793: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Sun, Jiangying Li, Xiaoqing Wang, Zhongrui Zhao, Rongbao Lv, Qi Zhang, Fengqin Wang, Yongnan Zhao|2022|J.Lumin.|241|118480|doi:10.1016/j.jlumin.2021.118480
DOI: 10.5517/ccdc.csd.cc28373r
title: CCDC 2088473: Experimental Crystal Structure Determination

description: Related Article: Xianghe Kong, Kongqiu Hu, Zhiwei Huang, Qunyan Wu, Jipan Yu, Lei Mei, Zhifang Chai, Changming Nie, Weiqun Shi|2021|Inorg.Chem.|60|14535|doi:10.1021/acs.inorgchem.1c02082
DOI: 10.21227/anyb-a016
title: A Coordinated Bidding Model For Wind Plant and Compressed Air Energy Storage Systems in the Energy and Ancillary Service Markets using a Distributionally Robust Optimization Approach

description: Clean energy resources, like wind, have a stochastic nature, which involves uncertainties in the power system. Introducing energy storage systems (ESS) to the network can compensate for the uncertainty in wind plant output and allow the plant to participate in ancillary service markets. Advance in compressed air energy storage system (CAES) technologies and their fast response make them suitable for ancillary services. This paper investigates the participation of a combined energy system composed of wind plants and compressed air energy storage system (CAES) in the energy market from a private owner’s viewpoint, including trading in energy markets and bidding for frequency regulation and reserve capacity in ancillary service markets. Since this problem contains various uncertainties associated with market prices, wind generation levels, and regulation signals, distributionally robust optimization (DRO) is used to modelthe uncertainties and enhance the simultaneous participation of a combined wind-CAES system in day-ahead energy and ancillary service markets. This method combines the advantages of stochastic and robust optimization. In contrast to robust optimization (RO), the method consolidates specific statistical data to reduce conservative results. Simulation results demonstrate the proposed model’s effectiveness in handling uncertainties and provide a framework for investors in this area. In addition, case study analyses are applied to assess the model’s performance and validate the coordination of a wind plant and compressed air energy storage system in participating in a deregulated electricity market. Finally, DRO and RO are compared in modeling the uncertainties of the optimization problem. The optimal outputs demonstrate the effectiveness of DRO in terms of achieving higher realized profits with less conservative results.
DOI: 10.6084/m9.figshare.16586951
title: Western and non-western gut microbiomes reveal new roles of Prevotella in carbohydrate metabolism and mouth-gut axis

description: The abundance and diversity of host-associated <i>Prevotella</i> species have a profound impact on human health. To investigate the composition, diversity, and functional roles of <i>Prevotella</i> in human gut, a population-wide analysis was carried out on 586 healthy samples from western and non-western populations including the largest Indian cohort comprising of 200 samples, and 189 Inflammatory Bowel Disease samples from western populations. A higher abundance and diversity of <i>Prevotella copri</i> species enriched in complex plant polysaccharides metabolizing enzymes, particularly pullulanase containing polysaccharide-utilization-loci (PUL), were found in Indian and non-western populations. A higher diversity of oral inflammations-associated <i>Prevotella</i> species and an enrichment of virulence factors and antibiotic resistance genes in the gut microbiome of western populations speculates an existence of a mouth-gut axis. The study revealed the landscape of <i>Prevotella</i> composition in the human gut microbiome and its impact on health in western and non-western populations.
DOI: 10.6084/m9.figshare.16757131
title: Supplementary Material for: Diagnostic Yield and Therapeutic Consequences of Targeted Next-Generation Sequencing in Sporadic Primary Immunodeficiency

description: <b><i>Introduction:</i></b> Primary immunodeficiencies (PIDs) are a heterogeneous group of disorders characterized by increased susceptibility to infections, immune dysregulation, and/or malignancy. Genetic studies, especially during the last decade, led to a better understanding of the pathogenesis of primary immunodeficiencies and contributed to their classification into distinct monogenic disorders falling under one of the &gt;430 currently known inborn errors of immunity (IEI). The growing availability of molecular genetic testing resulted in the increasing identification of patients with IEI. Here, we evaluated the diagnostic yield and the clinical consequences of targeted next-generation sequencing (tNGS) in a cohort of 294 primary immunodeficiency patients, primarily consisting of cases with sporadic primary antibody deficiency. <b><i>Method:</i></b> We have custom designed a tNGS panel to sequence a cohort of PID patients. Agilent’s HaloPlex Target Enrichment System for Illumina was used for DNA target enrichment. <b><i>Results:</i></b> tNGS identified a definite or predicted pathogenic variant in 15.3% of patients. The highest diagnostic rate was observed among patients with combined immunodeficiency or immune dysregulation, for whom genetic diagnosis may affect therapeutic decision-making. <b><i>Conclusion:</i></b> Next-generation sequencing has changed diagnostic assignment and paved the way for targeted therapeutic intervention with agents directed at reverting the disease-causing molecular abnormality or its pathophysiological consequences. Therefore, such targeted therapies and identifying the genetic basis of PID can be essential for patients with manifested immune dysregulation as conventional immunomodulatory regimens may exert an immunosuppressive effect, aggravating their immunodeficiency or may only inadequately control autoimmune or lymphoproliferative manifestations.
DOI: 10.6084/m9.figshare.16746583.v3
title: A Multi-view Bidirectional Spatiotemporal Graph Network for Urban Traffic Flow Imputation

description: Data and codes
DOI: 10.5519/qd.32xt96lq
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1800 records)
DOI: 10.6084/m9.figshare.16757168.v1
title: Samples. New onshore insights into the role of structural inheritance during Mesozoic opening of the Inner Moray Firth Basin, Scotland

description: Samples.
DOI: 10.6084/m9.figshare.16757168
title: Samples. New onshore insights into the role of structural inheritance during Mesozoic opening of the Inner Moray Firth Basin, Scotland

description: Samples.
DOI: 10.6084/m9.figshare.16757171.v1
title: Calcite dating data. New onshore insights into the role of structural inheritance during Mesozoic opening of the Inner Moray Firth Basin, Scotland

description: Calcite dating data
DOI: 10.6084/m9.figshare.16757171
title: Calcite dating data. New onshore insights into the role of structural inheritance during Mesozoic opening of the Inner Moray Firth Basin, Scotland

description: Calcite dating data
DOI: 10.14272/unkmldxsynsoma-uhfffaoysa-n.1
title: C24H19NO3S
title: InChI=1S/C24H19NO3S/c1-3-27-22-21(24(26)28-4-2)29-23(25-22)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15/h5-13H,3-4H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C24H19NO3S/c1-3-27-22-21(24(26)28-4-2)29-23(25-22)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15/h5-13H,3-4H2,1-2H3). 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)