cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.27002905
title: QM9star, two Million DFT-computed Equilibrium Structures for Ions and Radicals with Atomic Information

description: Ions and radicals serve as key intermediates in molecular transformation, with their chemical properties being essential for understanding and predicting reaction reactivity and selectivity. In this data descriptor, we report a quantum chemical dataset named QM9star, comprising cations, anions, and radicals. This dataset is derived from the molecular structures of the QM9 dataset, created by removing terminal hydrogens followed by optimization using B3LYP-D3(BJ)/6-311+G(d,p) level of density functional theory. The QM9star dataset includes approximately 1.9 million cations, anions, and radicals, along with 120 kilo neutral molecules prior to hydrogen removal. Each entry encompasses both molecular and atomic information: representative global properties include orbital energies, vibrational frequencies etc., while local properties cover aspects such as charges and spin densities at each atomic site. The QM9star dataset not only serves as a comprehensive source of quantum chemical information for intermediates but also offers insights into the principle of atomic property distribution. We anticipate that these data will aid in machine learning studies related to chemical intermediates and contribute to the molecular representation learning.
DOI: 10.5284/1000331
title: Excavations at Kissonerga-Mosphilia 1979-1992

description: The Lemba Archaeological Project is a digital report to accompany a conventional publication on the excavations at Lemba in Western Cyprus. This volume constitutes the major record of results, suitable for specialists, students of higher learning and researchers.
DOI: 10.6084/m9.figshare.27050635
title: Supplementary Material for: Spinal teratoma with recurrent epileptic episodes in adults: a case report

description: Introduction Spinal teratomas are rare, accounting for nearly 0.2-0.5% of all spinal tumors and 2% of all teratomas. Teratomas at the conus medullaris location do not inherently lead to epilepsy. However, potential epileptic seizures is caused when a teratoma ruptures and the chemical stimulation of teratoma components enter the dural sac.
Case presentation A 31-year-old Asian male patient suffering from epileptic onset and poor antiepileptic treatment was demonstrated. The spinal imaging examination was performed, and the patient suffered a space-occupying lesion within the conus medullaris related to spinal deformity, spinal embolism, etc. The autoimmune encephalitis spectrum revealed mGluR5 antibody IgG (+) 1:10 response. The patient stabilized after treatment with hormones and human immunoglobulin. Some hair and lipid droplets could be observed in the dural sac intraoperatively, and more hair and lipid-like material were present in the spinal cord. Postoperative pathology established the diagnosis as a conus medullaris teratoma in adults. Epileptic seizures stopped after surgery, and no additional seizures were reported during the 33-month follow-up period.
Conclusions Conus medullaris teratoma rupture in adults rarely causes epileptic seizures. For spinal deformity patients with unexplained epileptic symptoms, spinal MRI can be helpful in early diagnosis, and more appropriate treatment improves disease prognosis.
DOI: 10.6084/m9.figshare.27203163
title: Supplementary Material for: Co-creating the experience of consent for newborn genome sequencing (The Generation Study)

description: Introduction: The Generation Study (GS) aims to recruit 100,000 newborns in England to evaluate the utility and feasibility of using whole genome sequencing to screen for rare conditions that can be treated in early childhood; enable wider research to support further discovery in genomics and health; and explore the potential of storing an individual’s genome over their lifetime. The GS incorporates complexities of consent in newborn screening, genomic medicine, and healthcare research, and there is a gap in exploring how to implement existing recommendations. Participant involvement has been shown to improve the implementation of processes and materials in healthcare. This paper describes how the GS team leveraged this through Design Research (DR) methodologies to develop the GS consent experience.

Methods: Over a two-year period, 9 rounds of DR were undertaken with expectant and recent parents and a chosen partner (n=105). Each round consisted of semi-structured interviews and a range of co-design and usability testing activities.

Results: DR activities highlighted areas for consideration when consent materials and processes. We describe common barriers and enablers across three stages of consent: awareness, consideration, and making an informed decision. As well as ensuring participants fully understand pros and cons of taking part, materials should consider pre-existing assumptions or misconceptions which may discourage parents from learning about the GS. 

Conclusion: Involving parents in co-creation has broadened the perspective of what constitutes informed decision-making for newborn genome sequencing. Iterative rounds of research and design can provide tangible paths forward, supporting the successful implementation of informed decision-making.
DOI: 10.5281/zenodo.13997863
title: test
DOI: 10.5281/zenodo.13997864
title: test
DOI: 10.15468/dl.yc7qda
title: Occurrence Download

description: A dataset containing 871009 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Africa",
 "IucnRedListCategory is EN",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 871009 records from 1398 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006173-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/8n4-9eh-wt8
title: Kickxia scoparia (Spreng.) G. Kunkel & Sunding

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/sc7-gaf-x0v
title: Pseudodistichium taitaoense J. Froehl.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/wj0-876-ckh
title: Polycarpaea robbairea (Kuntze) Greuter & Burdet

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccnvx4j
title: CCDC 621678: Experimental Crystal Structure Determination

description: Related Article: T.I.A.Gerber, E.Hosten, O.Knoesen, P.Mayer|2007|J.Coord.Chem.|60|2369|doi:10.1080/00958970701266724
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/ccp0xh2
title: CCDC 626494: Experimental Crystal Structure Determination

description: Related Article: Li Zhou, Ming Bao, Ren He|2009|Fenzi Kexue Xuebao|25|19|
description: Related Article: Li Zhou, Qingqing Miao, Ren He, Xiujuan Feng, Ming Bao|2007|Tetrahedron Lett.|48|7899|doi:10.1016/j.tetlet.2007.08.089
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: 10.3535/7v4-674-n73
title: Tovomita lanceolata Cuatrec.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/eqs-98y-kp2
title: Cussonia spicata Thunb.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/hj9-g50-cnv
title: Alopecurus pratensis L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccps1dw
title: CCDC 648718: Experimental Crystal Structure Determination

description: Related Article: Yi-Ning Wang, A.Kattuboina, Teng Ai, D.Banerjee, Guigen Li|2007|Tetrahedron Lett.|48|7894|doi:10.1016/j.tetlet.2007.08.099
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/ccq3xwl
title: CCDC 659180: Experimental Crystal Structure Determination

description: Related Article: G.Righi, S.Ciambrone, A.Pompili, F.Caruso|2007|Tetrahedron Lett.|48|7713|doi:10.1016/j.tetlet.2007.08.021
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: 10.3535/f6n-vth-zen
title: Festuca sclerophylla Boiss. ex Bisch.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/zjf-q4r-ldw
title: Orconectes limosus (Rafinesque 1817)

description: Digital Specimen for the physical specimen hosted at Senckenberg Research Institute and Natural History Museum Frankfurt/M.
DOI: 10.5517/ccps0p4
title: CCDC 648696: Experimental Crystal Structure Determination

description: Related Article: S.Tanaka, R.Serizawa, N.Morohashi, T.Hattori|2007|Tetrahedron Lett.|48|7660|doi:10.1016/j.tetlet.2007.08.095
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/ccpvjdf
title: CCDC 651105: Experimental Crystal Structure Determination

description: Related Article: Zhan-Xian Li, Wei Sun, Yan-Feng Yue, Ming-Hua Zheng, Chun-Hu Xu, Jing-Yi Jin, Chen-Jie Fang, Chun-Hua Yan|2007|Tetrahedron Lett.|48|7675|doi:10.1016/j.tetlet.2007.08.086
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: 10.13140/rg.2.2.29179.26406
title: PHOTOMICROGRAPHS: Sheep Creek Formation (1-54)
DOI: 10.3535/c9s-ra1-hmz
title: Byrsonima piresii W. R. Anderson

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/r0m-1jr-d9f
title: Erysimum hajastanicum Wissjul. & Bordz.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/x10-5f3-wwp
title: Notoceras bicorne (Aiton) Caruel

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccq0wg1
title: CCDC 656253: Experimental Crystal Structure Determination

description: Related Article: C.V.Ramana, M.A.Mondal, V.G.Puranik, M.K.Gurjar|2007|Tetrahedron Lett.|48|7524|doi:10.1016/j.tetlet.2007.08.050
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/ccq9xhd
title: CCDC 664934: Experimental Crystal Structure Determination

description: Related Article: J.Saczewski, M.Gdaniec|2007|Tetrahedron Lett.|48|7624|doi:10.1016/j.tetlet.2007.08.127
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: 10.3535/45a-je2-0xw
title: Erysimum insubricum Peccenini & Polatschek

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/795-mje-ant
title: Carduus macracanthus Kazmi

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/95k-rkc-at4
title: Anthoxanthum odoratum L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccpz1ym
title: CCDC 654501: Experimental Crystal Structure Determination

description: Related Article: C.A.Ospina, A.D.Rodriguez, Hong Zhao, R.G.Raptis|2007|Tetrahedron Lett.|48|7520|doi:10.1016/j.tetlet.2007.08.069
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: 10.13140/rg.2.2.15023.48805
title: Drug Treatment 19-07-19
DOI: 10.3535/h1r-lfd-vva
title: Agrostis rupestris All.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/xk5-mng-6j5
title: Aeschynanthus parviflorus (D. Don) Spreng.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/zry-2me-t2b
title: Bromus variegatus M. Bieb.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccpr5wg
title: CCDC 647896: Experimental Crystal Structure Determination

description: Related Article: Yu-Yu Chen, Xiao-Ning Wang, Cheng-Qi Fan, Sheng Yin, Jian-Min Yue|2007|Tetrahedron Lett.|48|7480|doi:10.1016/j.tetlet.2007.08.066
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/ccq2p5m
title: CCDC 657980: Experimental Crystal Structure Determination

description: Related Article: Ju Gao, R.F.Henry, T.G.Pagano, R.W.Duerst, A.J.Souers|2007|Tetrahedron Lett.|48|7395|doi:10.1016/j.tetlet.2007.08.003
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: 10.3535/e3b-trz-2cx
title: Citharexylum laetum Hieron.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/kqf-wft-db0
title: Anthoxanthum odoratum L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/mxp-39q-aya
title: Aichryson parlatorei Bolle

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccpp0cq
title: CCDC 645803: Experimental Crystal Structure Determination

description: Related Article: Xichang Zhang, Chunxi Zhai, Ning Li, Ming Liu, Shijun Li, Kelong Zhu, Jinqiang Zhang, Feihe Huang, H.W.Gibson|2007|Tetrahedron Lett.|48|7537|doi:10.1016/j.tetlet.2007.08.038
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/ccpp0dr
title: CCDC 645804: Experimental Crystal Structure Determination

description: Related Article: Xichang Zhang, Chunxi Zhai, Ning Li, Ming Liu, Shijun Li, Kelong Zhu, Jinqiang Zhang, Feihe Huang, H.W.Gibson|2007|Tetrahedron Lett.|48|7537|doi:10.1016/j.tetlet.2007.08.038
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: 10.3535/1l0-nbc-jsh
title: Rosularia sempervivum (M. Bieb.) A. Berger

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/3s3-2na-x90
title: Halacsya sendtneri (Boiss.) Dörfl.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/s50-cd4-pwa
title: Verbascum L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccps9rh
title: CCDC 648977: Experimental Crystal Structure Determination

description: Related Article: V.Gaddam, R.Nagarajan|2007|Tetrahedron Lett.|48|7335|doi:10.1016/j.tetlet.2007.08.016
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/ccps9sj
title: CCDC 648978: Experimental Crystal Structure Determination

description: Related Article: V.Gaddam, R.Nagarajan|2007|Tetrahedron Lett.|48|7335|doi:10.1016/j.tetlet.2007.08.016
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: 10.3535/01g-357-cv1
title: Ruppia cirrhosa (Petagna) Grande

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/18e-2hr-8yh
title: Rubus praecox A. Kern.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/ce9-pjc-5dn
title: Onobrychis Mill.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/k1l-hfk-x41
title: Cerinthe minor L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccq2xg4
title: CCDC 658206: Experimental Crystal Structure Determination

description: Related Article: D.Craig, M.I.Lansdell, S.E.Lewis|2007|Tetrahedron Lett.|48|7861|doi:10.1016/j.tetlet.2007.08.130
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: 10.3535/1t8-v9y-lqk
title: Lapsana grandiflora M. Bieb.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/3hm-9hc-xnh
title: Lamiaceae Martinov

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/a73-25f-t91
title: Agrostis hyemalis (Walter) Britton, Sterns & Poggenb.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccpxdlk
title: CCDC 652909: Experimental Crystal Structure Determination

description: Related Article: Kai-Chi Chang, In-Hao Su, Gene-Hsiang Lee, Wen-Sheng Chung|2007|Tetrahedron Lett.|48|7274|doi:10.1016/j.tetlet.2007.08.045
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/ccq2xh5
title: CCDC 658207: Experimental Crystal Structure Determination

description: Related Article: D.Craig, M.I.Lansdell, S.E.Lewis|2007|Tetrahedron Lett.|48|7861|doi:10.1016/j.tetlet.2007.08.130
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: 10.3535/ma5-glm-cac
title: Sinapis arvensis L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/njx-en0-86r
title: Chenopodium suecicum Murr

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/p44-8bs-99a
title: Hyoscyamus albus L.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.5517/ccndq5x
title: CCDC 608039: Experimental Crystal Structure Determination

description: Related Article: Li-jun Peng, Zhong-quan Liu, Jian-tao Wang, Long-min Wu|2007|Tetrahedron Lett.|48|7418|doi:10.1016/j.tetlet.2007.05.178
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/ccpxdml
title: CCDC 652910: Experimental Crystal Structure Determination

description: Related Article: Kai-Chi Chang, In-Hao Su, Gene-Hsiang Lee, Wen-Sheng Chung|2007|Tetrahedron Lett.|48|7274|doi:10.1016/j.tetlet.2007.08.045
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: 10.3535/9rl-p71-5gb
title: Endlicheria dysodantha (Ruiz & Pav.) Mez

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/rmc-lw0-ymv
title: Nepeta betonicifolia C. A. Mey.

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.
DOI: 10.3535/zzt-l4z-2eg
title: Asteraceae Bercht. & J. Presl

description: Digital Specimen for the physical specimen hosted at Natural History Museum Vienna.