cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5519/qd.34tcef3u
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (773 records)
DOI: 10.5281/zenodo.10535346
title: Heme Spin Distribution in the Substrate-Free and Inhibited Novel CYP116B5hd: A Multifrequency HYSCORE Study

description: §  Data type: Experimental spectroscopic measurements, computer simulations.

§  Files are with filename extensions: .DSC, .DAT, .m

§  Information on origin of the data: 

o   EPR spectroscopic measurements with filename extensions .DSC, .DTA and .txt.

o   EPR spectroscopic simulation based on Easyspin with filename extension .m.

§  CW and Pulse X-band experiments were performed on a Bruker ELEXSYS E580 X-band spectrometer (microwave frequency 9.68 GHz) equipped with a cylindrical dielectric cavity and a helium gas-flow cryostat from Oxford Inc. Q-band Pulse EPR experiments were performed on a Bruker ELEXSYS E580 spectrometer (microwave frequency 34 GHz) equipped with a continuous helium flow cryostat from Oxford Inc. The magnetic field was measured by means of a Bruker ER035M NMR gaussmeter. ENDOR experiments were carried out with a Bruker ESP 380E spectrometer (X-band) equipped with an EN 4118X-MD4 Bruker resonator.

§  If the dataset includes multiple files that relate to each other:

o   Files in PARACAT_WP5_20240112_CW folder includes X-band CW-EPR spectroscopic measurements, original data are in .DTA and .DSC formats. 

o   Files in PARACAT_WP5_20240112_EDFS folder includes echo detected field sweep (EDFS) spectroscopic measurements, original data are in .DTA and .DSC formats. 

o   Files in PARACAT_WP5_20240112_HYSCORE folder includes HYSCORE spectroscopic 2D measurements, original data are in .DTA and .DSC formats. 

o   Files in PARACAT_WP5_20240112_ENDOR folder includes ENDOR spectroscopic measurements, original data are in .txt format. 

o   Files in PARACAT_WP5_20240112_MATLAB folder includes computer simulations/analyses of the EPR measurements, data are in .m format.

§  Information on: 

o   Specialized abbreviations: EPR – Electron Paramagnetic Resonance, CW – Continuous Wave-EPR, HYSCORE – HYperfine Sublevel CORrelation, ENDOR - Electron Nuclear DOuble Resonance, CYP450 – Cytochrome P450.

o   Definitions of variables: Magnetic field, Temperature.

o   Units of measurement: Gauss (G), milliTesla (mT), Kelvin (K).

Version of data (in format “V1”, “V2”, etc.):

Keywords EPR spectroscopy; CYP450; HYSCORE; peroxygenase; hyperfine interactions; low-spin hemeprotein; multifrequency EPR; quadrupole interaction; imidazole binding;

Language: English

Additional notes:

§  Files with extension .m are MATLAB input files. Matlab license can be acquired at the link https://it.mathworks.com/downloads/web_downloads/
DOI: 10.5281/zenodo.10535347
title: Heme Spin Distribution in the Substrate-Free and Inhibited Novel CYP116B5hd: A Multifrequency HYSCORE Study

description: §  Data type: Experimental spectroscopic measurements, computer simulations.

§  Files are with filename extensions: .DSC, .DAT, .m

§  Information on origin of the data: 

o   EPR spectroscopic measurements with filename extensions .DSC, .DTA and .txt.

o   EPR spectroscopic simulation based on Easyspin with filename extension .m.

§  CW and Pulse X-band experiments were performed on a Bruker ELEXSYS E580 X-band spectrometer (microwave frequency 9.68 GHz) equipped with a cylindrical dielectric cavity and a helium gas-flow cryostat from Oxford Inc. Q-band Pulse EPR experiments were performed on a Bruker ELEXSYS E580 spectrometer (microwave frequency 34 GHz) equipped with a continuous helium flow cryostat from Oxford Inc. The magnetic field was measured by means of a Bruker ER035M NMR gaussmeter. ENDOR experiments were carried out with a Bruker ESP 380E spectrometer (X-band) equipped with an EN 4118X-MD4 Bruker resonator.

§  If the dataset includes multiple files that relate to each other:

o   Files in PARACAT_WP5_20240112_CW folder includes X-band CW-EPR spectroscopic measurements, original data are in .DTA and .DSC formats. 

o   Files in PARACAT_WP5_20240112_EDFS folder includes echo detected field sweep (EDFS) spectroscopic measurements, original data are in .DTA and .DSC formats. 

o   Files in PARACAT_WP5_20240112_HYSCORE folder includes HYSCORE spectroscopic 2D measurements, original data are in .DTA and .DSC formats. 

o   Files in PARACAT_WP5_20240112_ENDOR folder includes ENDOR spectroscopic measurements, original data are in .txt format. 

o   Files in PARACAT_WP5_20240112_MATLAB folder includes computer simulations/analyses of the EPR measurements, data are in .m format.

§  Information on: 

o   Specialized abbreviations: EPR – Electron Paramagnetic Resonance, CW – Continuous Wave-EPR, HYSCORE – HYperfine Sublevel CORrelation, ENDOR - Electron Nuclear DOuble Resonance, CYP450 – Cytochrome P450.

o   Definitions of variables: Magnetic field, Temperature.

o   Units of measurement: Gauss (G), milliTesla (mT), Kelvin (K).

Version of data (in format “V1”, “V2”, etc.):

Keywords EPR spectroscopy; CYP450; HYSCORE; peroxygenase; hyperfine interactions; low-spin hemeprotein; multifrequency EPR; quadrupole interaction; imidazole binding;

Language: English

Additional notes:

§  Files with extension .m are MATLAB input files. Matlab license can be acquired at the link https://it.mathworks.com/downloads/web_downloads/
DOI: 10.48577/jpl.okcraq
title: PRIMA Overview Slides December 2023

description: PRIMA Overview Slides December 2023
DOI: 10.5281/zenodo.10535385
title: Mental Health Codelist
DOI: 10.5281/zenodo.10535386
title: Mental Health Codelist
DOI: 10.25345/c53f4kz9c
title: MassIVE MSV000093893 - Nontargeted plasma proteomics analysis uncovers candidate biomarkers for renal disease and pulmonary hypertension in patients with sickle cell disease
title: Fifteen microliters of plasma from sickle cell disease patients, and pooled samples, were diluted with 5% deoxycholate and 10 mM DTT, followed by heating at 80 degC for 30 min, alkylation with 25 mM iodoacteamide and digestion with modified trypsin for 4 h at 37 degC. After acidification, samples were filtered. ~35 micrograms of each sample was separated by direction injection and microflow LC (1 mm x 100 mm Waters ACQUITY Premier; 100 uL/min) using a gradient of 3-28% acetonrile, and MS/MS was acquired on a Thermo Exploris 480 using a 120K MS1 scan and 30K MS2 with a staggered/overlapping method. Data analysis used Spectronaut 17. Study pool QC data, and individual files used for statistical analysis, are described in the accompanying metadata.
DOI: 10.6084/m9.figshare.24486670
title: Chemical contaminant exposures assessed using silicone wristbands among fuel station attendants, taxi drivers and commercial motorcycle riders in Kampala, Uganda

description: There are concerns over traffic-related air pollution in Uganda’s capital, Kampala. Individuals in the transportation sector are hypothesized to be at greater risk for exposure to volatile organic compounds, given their proximity to vehicle exhaust. Silicone wristbands are a wearable technology that passively sample individuals’ chemical exposures. We conducted a pilot cross sectional study to measure personal exposures to volatile organic compounds among 14 transportation workers who wore a wristband for five days. We analyzed for 75 volatile organic compounds; 33 chemicals (35%) were detected and quantified in at least 50% of the samples and 15 (16%) chemicals were detected and quantified across all the samples. Specific chemicals were associated with participants’ occupation. The findings can guide future large studies to inform policy and practice to reduce exposure to chemicals in the environment in Kampala.
DOI: 10.6084/m9.figshare.24486670.v1
title: Chemical contaminant exposures assessed using silicone wristbands among fuel station attendants, taxi drivers and commercial motorcycle riders in Kampala, Uganda

description: There are concerns over traffic-related air pollution in Uganda’s capital, Kampala. Individuals in the transportation sector are hypothesized to be at greater risk for exposure to volatile organic compounds, given their proximity to vehicle exhaust. Silicone wristbands are a wearable technology that passively sample individuals’ chemical exposures. We conducted a pilot cross sectional study to measure personal exposures to volatile organic compounds among 14 transportation workers who wore a wristband for five days. We analyzed for 75 volatile organic compounds; 33 chemicals (35%) were detected and quantified in at least 50% of the samples and 15 (16%) chemicals were detected and quantified across all the samples. Specific chemicals were associated with participants’ occupation. The findings can guide future large studies to inform policy and practice to reduce exposure to chemicals in the environment in Kampala.
DOI: 10.6084/m9.figshare.20669832
title: Cognitive testing in late-stage Parkinson's disease: A critical appraisal of available instruments

description: For patients with Parkinson’s disease (PD), cognitive impairment is one of the most disabling non-motor symptoms, particularly in the late disease stages (LSPD). Without a common cognitive assessment battery, it is difficult to estimate its prevalence and limits comparisons across studies. In addition, some instruments traditionally used in PD may not be adequate for use in LSPD. We sought to identify instruments used to assess cognition in LSPD and to investigate their global characteristics and psychometric properties to recommend a cognitive battery for the LSPD population. We conducted a literature search of EMBASE and MEDLINE for articles reporting the use of cognitive tests in LSPD. The global characteristics and psychometric properties of the four most used cognitive tests in each cognitive domain were verified to recommend a cognitive assessment battery. Of 60 included studies, 71.7% used screening scales to assess cognition. Of the 53 reported instruments, the Montreal Cognitive Assessment, the Digit Span, the Trail Making Test, the Semantic Fluency test, the Rey Auditory Verbal Learning Test, the Brief Visuospatial Memory Test-Revised, the Boston Naming Test, the Judgment of Line Orientation, and the Clock Drawing Test corresponded best overall to the requirements considered important for selecting instruments in LSPD. Screening scales are frequently used to assess cognition in LSPD. We recommend a cognitive assessment battery that considers the special characteristics of the LSPD population, including being quick and easy to use, with minimized motor demands, and covering all relevant cognitive domains.
DOI: 10.6084/m9.figshare.20669832.v1
title: Cognitive testing in late-stage Parkinson's disease: A critical appraisal of available instruments

description: For patients with Parkinson’s disease (PD), cognitive impairment is one of the most disabling non-motor symptoms, particularly in the late disease stages (LSPD). Without a common cognitive assessment battery, it is difficult to estimate its prevalence and limits comparisons across studies. In addition, some instruments traditionally used in PD may not be adequate for use in LSPD. We sought to identify instruments used to assess cognition in LSPD and to investigate their global characteristics and psychometric properties to recommend a cognitive battery for the LSPD population. We conducted a literature search of EMBASE and MEDLINE for articles reporting the use of cognitive tests in LSPD. The global characteristics and psychometric properties of the four most used cognitive tests in each cognitive domain were verified to recommend a cognitive assessment battery. Of 60 included studies, 71.7% used screening scales to assess cognition. Of the 53 reported instruments, the Montreal Cognitive Assessment, the Digit Span, the Trail Making Test, the Semantic Fluency test, the Rey Auditory Verbal Learning Test, the Brief Visuospatial Memory Test-Revised, the Boston Naming Test, the Judgment of Line Orientation, and the Clock Drawing Test corresponded best overall to the requirements considered important for selecting instruments in LSPD. Screening scales are frequently used to assess cognition in LSPD. We recommend a cognitive assessment battery that considers the special characteristics of the LSPD population, including being quick and easy to use, with minimized motor demands, and covering all relevant cognitive domains.
DOI: 10.5519/qd.atfru193
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (31 records)
DOI: 10.5517/ccw2kr7
title: CCDC 806829: Experimental Crystal Structure Determination

description: Related Article: E.Yu.Fursova, O.V.Kuznetsova, V.I.Ovcharenko, G.V.Romanenko, A.S.Bogomyakov, M.A.Kiskin, I.L.Eremenko|2010|Izv.Akad.Nauk SSSR,Ser.Khim.||1129|
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.cc2gq2v4
title: CCDC 2285346: Experimental Crystal Structure Determination

description: Related Article: Svetlana Ch. Gagieva, Vladislav A. Tuskaev, Kasim F. Magomedov, Viktor N. Khrustalev, Maria D. Evseeva, Marina G. Ezernitskaya, Svetlana A. Aksenova, Mikhail I. Buzin, Evgenia P. Antoshkina, Daniele Saracheno, Evgenii K. Golubev, Boris M. Bulychev|2024|Eur.Polym.J.|205|112720|doi:10.1016/j.eurpolymj.2023.112720
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.cc2gq4jw
title: CCDC 2285398: Experimental Crystal Structure Determination

description: Related Article: Yulin Peng, Yuxin Guo, Shuyuan Zhang, Yibo Chang, Shujing Zhang, Xiaobo Wang, Wenyu Zhao, Xiaochi Ma|2024|Bioorg.Chem.|143|107084|doi:10.1016/j.bioorg.2023.107084
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.cc2gvmhg
title: CCDC 2289706: Experimental Crystal Structure Determination

description: Related Article: Jade Nadine S. Ang, Ali Y. Chahine, Thomas J. Raeber, Stuart R. Batten, David R. Turner|2024|Inorg.Chem.|63|1258|doi:10.1021/acs.inorgchem.3c03654
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: 10.34740/kaggle/dsv/7436840
title: Energy-consumption-prediction
DOI: 10.5281/zenodo.10535391
title: CATH ECOD BioZernike moments

description: Data is encoded by columns delimited with tabs and with no header.



The first  column is the protein domain Id

Columns 1-17 Geometric descriptors

Columns 18-3923 Zernike moments
DOI: 10.5281/zenodo.10535392
title: CATH ECOD BioZernike moments

description: Data is encoded by columns delimited with tabs and with no header.



The first  column is the protein domain Id

Columns 1-17 Geometric descriptors

Columns 18-3923 Zernike moments
DOI: 10.5519/qd.vxtgcz0o
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (24 records)
DOI: 10.18739/a2vt1gr64
title: Arctic Tidal Constituent Atlas (ArcTiCA) : A database of tide elevation constituents for the Arctic region from 1800 through present day.

description: In the Arctic Ocean, tides affect ocean circulation and mixing, and sea ice dynamics and thermodynamics. Significant advances have been made in global ocean tide models; however, their performance in the Arctic is hampered by poorly-mapped bottom topography, the dynamical influence of sea ice on tides, and limitations on satellite altimetry measurements due to the high latitudes and presence of sea ice. An additional factor is the limited availability of sea surface height (SSH) data in the Arctic. In situ measurements from coastal tide gauges and ocean bottom pressure sensors are crucial sources of information that can be used to understand the spatial variability of tides, interpret satellite SSH records that are undersampled in time, and validate the advances made in tide models. Global in situ tidal constituent databases contain values for a limited number of sites in the Arctic; for example, TICON-3 (Hart-Davis et al 2022) contains 111 stations above 60°N and 21 above 70°N, with most of these being around North America and Norway.
 Here, we present a comprehensive dataset of tidal constituents in the Arctic region. This dataset combines analyses of in situ measurements from coastal tide gauges, ocean bottom pressure sensors and global navigation satellite system (GNSS) reflectometry, which results in tidal coefficients for 914 sites above 60°N and 399 above 70°N with a much greater spatial distribution across the full Arctic Ocean than for existing global tidal datasets. The resultant dataset is quality assessed and compared to recent tide models to determine the reliability of the different data sources used.
 Hart-Davis, M.G., Dettmering, D., & Seitz, F. (2022). TICON-3: Tidal Constants based on GESLA-3 sea-level records from globally distributed tide gauges including gauge type information (data). PANGAEA, https://doi.org/10.1594/PANGAEA.951610
DOI: 10.5519/qd.f4mx08tj
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (12 records)
DOI: 10.5281/zenodo.10535519
title: Montessori education's effectiveness: a quasi-experimental and explorative study

description: This article presents three studies investigating Montessori education (ME) in Italy, filling a crucial research gap in European and specifically Italian contexts. The first and second quasi-experimental studies assess ME’s impact on academic and nonacademic outcomes, considering variables like teacher effect, gender, age, Socio-Economic Status, and prior ME exposure. The third study offers an exploratory analysis of practices within Italian primary Montessori schools, enabling control for teacher effects in the earlier studies. Academic results, based on a substantial sample (N = 535-710), consistently demonstrate that Montessori students achieve comparable or higher scores than non-Montessori counterparts, with notable variability in mathematics. The nonacademic outcomes study, concentrating on eighth-grade students (N = 85), highlights significantly elevated empathy scores among Montessori students. Noteworthy from teacher surveys (N = 328) are three distinct profiles, with only half faithfully implementing ME practices. These findings underscore the incomplete implementation of Montessori principles in Italian primary schools, emphasizing the need for comprehensive reforms within the existing educational framework to fully incorporate and endorse Montessori practices as valuable alternatives for comprehensive child development.
DOI: 10.5281/zenodo.10535520
title: Montessori education's effectiveness: a quasi-experimental and explorative study

description: This article presents three studies investigating Montessori education (ME) in Italy, filling a crucial research gap in European and specifically Italian contexts. The first and second quasi-experimental studies assess ME’s impact on academic and nonacademic outcomes, considering variables like teacher effect, gender, age, Socio-Economic Status, and prior ME exposure. The third study offers an exploratory analysis of practices within Italian primary Montessori schools, enabling control for teacher effects in the earlier studies. Academic results, based on a substantial sample (N = 535-710), consistently demonstrate that Montessori students achieve comparable or higher scores than non-Montessori counterparts, with notable variability in mathematics. The nonacademic outcomes study, concentrating on eighth-grade students (N = 85), highlights significantly elevated empathy scores among Montessori students. Noteworthy from teacher surveys (N = 328) are three distinct profiles, with only half faithfully implementing ME practices. These findings underscore the incomplete implementation of Montessori principles in Italian primary schools, emphasizing the need for comprehensive reforms within the existing educational framework to fully incorporate and endorse Montessori practices as valuable alternatives for comprehensive child development.
DOI: 10.5281/zenodo.10535485
title: All 20 single-cell Hi-C data from Drosophila

description: This is a supplement to ScHiCEDRN of GitHub at  https://github.com/BioinfoMachineLearning/ScHiCEDRN
DOI: 10.5281/zenodo.10535486
title: All 20 single-cell Hi-C data from Drosophila

description: This is a supplement to ScHiCEDRN of GitHub at  https://github.com/BioinfoMachineLearning/ScHiCEDRN
DOI: 10.5281/zenodo.10535522
title: Inteligencia artificial en estudiantes universitarios. Una revisión bibliométrica

description: The purpose of this research was to examine the evolution, scope, and orientation of the scientific production on artificial intelligence applications in university students. The methodology, with a non-experimental design and qualitative approach, involved a search in Scopus, identifying 643 documents between 1975-2024, analyzed through VOSviewer and Bibliometrix. The results show an emerging field, but with rapid growth (4.59% per year), with notoriety of Kong, Abdulrahman and Chai. Research is predominantly in computer science (61%), social sciences (33%) and engineering (23%) from China, USA, Spain and Taiwan. Current applications focus on the use of AI in education, machine learning, support for academic decisions and student mental health. However, it is necessary to expand the approach towards ethical and regulatory aspects and the evaluation of multifaceted effects on different student profiles. In conclusion, although production is growing rapidly, more comprehensive perspectives are required to responsibly enhance the impact of these technologies on the university educational experience.
DOI: 10.5519/qd.h64mtzi0
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (255 records)
DOI: 10.5281/zenodo.10535508
title: Cavitating pulmonary metastases are associated with improved survival in pancreatic cancer

description: Retrospective study in PDAC patients (n=126).
DOI: 10.5281/zenodo.10535509
title: Cavitating pulmonary metastases are associated with improved survival in pancreatic cancer

description: Retrospective study in PDAC patients (n=126).