cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6322996
title: Modified WRF/Chem source code, output data, and post-processing scripts for the GMD manuscript "Evaluation of WRF/Chem model (v3.9.1.1) real-time air quality forecasts over the Eastern Mediterranean"

description: Here you will find the modified WRF/Chem code used in the simulations, the scripts used for post-processing and the model output data used in the manuscript. Two modifications have been made in module_aerosols_soa_vbs.F: ch_dust is set to1.0D-9*0.36 The model is set not to initialize during restarts The model data directory includes: Two csv files (Winter and Summer) with the hourly concentrations of atmospheric pollutants at the locations of the ground stations. These data were used to produce Figures 4-8 in the manuscript as well as all the metrics. Two netcdf files (Winter and Summer) with the average ground concentrations of atmospheric pollutants over Cyprus. These data were use to produce Figure 3 in the manuscript.
description: The project is co-funded by the projects EMME-CARE, which has received funding from the European Union's Horizon 2020 Research and Innovation Programme (under grant agreement no. 856612) and the Cyprus Government, AQ-SERVE no. INTEGRATED/0916/0016 which is co-financed by the European Regional Development Fund and the Republic of Cyprus through the Research and Innovation Foundation, and ACCEPT which is cofinanced by the Norwegian Financial Mechanism (85%) and the Republic of Cyprus (15%) in the framework of the programming period 2014–2021.
DOI: 10.5281/zenodo.6322995
title: Modified WRF/Chem source code, output data, and post-processing scripts for the GMD manuscript "Evaluation of WRF/Chem model (v3.9.1.1) real-time air quality forecasts over the Eastern Mediterranean"

description: Here you will find the modified WRF/Chem code used in the simulations, the scripts used for post-processing and the model output data used in the manuscript. Two modifications have been made in module_aerosols_soa_vbs.F: ch_dust is set to1.0D-9*0.36 The model is set not to initialize during restarts The model data directory includes: Two csv files (Winter and Summer) with the hourly concentrations of atmospheric pollutants at the locations of the ground stations. These data were used to produce Figures 4-8 in the manuscript as well as all the metrics. Two netcdf files (Winter and Summer) with the average ground concentrations of atmospheric pollutants over Cyprus. These data were use to produce Figure 3 in the manuscript.
description: The project is co-funded by the projects EMME-CARE, which has received funding from the European Union's Horizon 2020 Research and Innovation Programme (under grant agreement no. 856612) and the Cyprus Government, AQ-SERVE no. INTEGRATED/0916/0016 which is co-financed by the European Regional Development Fund and the Republic of Cyprus through the Research and Innovation Foundation, and ACCEPT which is cofinanced by the Norwegian Financial Mechanism (85%) and the Republic of Cyprus (15%) in the framework of the programming period 2014–2021.
DOI: 10.6084/m9.figshare.16970272
title: Survey for attitude, self-reflection and conscience.xlsx

description: This data represents a survey for students holistic health covering three domains of - attitude, self-reflection and conscience.<br>
DOI: 10.6084/m9.figshare.16970272.v1
title: Survey for attitude, self-reflection and conscience.xlsx

description: This data represents a survey for students holistic health covering three domains of - attitude, self-reflection and conscience.<br>
DOI: 10.48370/ofd/2unm3j
title: Rosellinia aquila (Fries) Cesati De Notaris, 356

description: Fungarium Makromycetes
DOI: 10.48370/ofd/yizbhn
title: Hypoxylon fragiforme (Pers.) J.Kickx f., 2183

description: Fungarium Macromycetes
DOI: 10.48370/ofd/xw8rem
title: Rosellinia corticium (Schwein.) Sacc., 3019

description: Fungarium Makromycetes
DOI: 10.5281/zenodo.6042552
title: Amyloid-beta 16-22 peptide monomer simulation with the CHARMM-Drude force field and OpenMM (Run 2)

description: Amyloid-beta 16-22 peptide (monomer) simulations with the CHARMM-Drude force field and OpenMM. This is the second independent simulation runs out of 3. Part 1-2 are 200 ns long, 3-8 are 100 ns each. Total trajectory length is 1 microseconds. Frame saving frequency is 10 ps. The system contains ~ 150 mM NaCl.
DOI: 10.5281/zenodo.6042551
title: Amyloid-beta 16-22 peptide monomer simulation with the CHARMM-Drude force field and OpenMM (Run 2)

description: Amyloid-beta 16-22 peptide (monomer) simulations with the CHARMM-Drude force field and OpenMM. This is the second independent simulation runs out of 3. Part 1-2 are 200 ns long, 3-8 are 100 ns each. Total trajectory length is 1 microseconds. Frame saving frequency is 10 ps. The system contains ~ 150 mM NaCl.
DOI: 10.5281/zenodo.6322333
title: Amyloid-beta 16-22 peptide monomer simulation with the CHARMM-Drude force field and OpenMM (Run 3)

description: Amyloid-beta 16-22 peptide (monomer) simulations with the CHARMM-Drude force field and OpenMM. This is the last independent simulation runs out of 3. Part 1-2 are 200 ns long, 3-8 are 100 ns each. Total trajectory length is 1 microseconds. Frame saving frequency is 10 ps. The system contains ~ 150 mM NaCl.
DOI: 10.5281/zenodo.6322332
title: Amyloid-beta 16-22 peptide monomer simulation with the CHARMM-Drude force field and OpenMM (Run 3)

description: Amyloid-beta 16-22 peptide (monomer) simulations with the CHARMM-Drude force field and OpenMM. This is the last independent simulation runs out of 3. Part 1-2 are 200 ns long, 3-8 are 100 ns each. Total trajectory length is 1 microseconds. Frame saving frequency is 10 ps. The system contains ~ 150 mM NaCl.
DOI: 10.48370/ofd/lxrqf0
title: Hypoxylon fragiforme (Pers.) J.Kickx f., 2828

description: Fungarium Macromycetes
DOI: 10.5281/zenodo.6008693
title: Amyloid-beta 16-22 peptide monomer simulation with the CHARMM-Drude force field and OpenMM (Run 1)

description: Amyloid-beta 16-22 peptide (monomer) simulations with the CHARMM-Drude force field and OpenMM. This is the first independent simulation runs out of 3. Part 1-2 are 200 ns long, 3-8 are 100 ns each. Total trajectory length is 1 microseconds. Frame saving frequency is 10 ps. The system contains ~ 150 mM NaCl.
DOI: 10.5281/zenodo.6008692
title: Amyloid-beta 16-22 peptide monomer simulation with the CHARMM-Drude force field and OpenMM (Run 1)

description: Amyloid-beta 16-22 peptide (monomer) simulations with the CHARMM-Drude force field and OpenMM. This is the first independent simulation runs out of 3. Part 1-2 are 200 ns long, 3-8 are 100 ns each. Total trajectory length is 1 microseconds. Frame saving frequency is 10 ps. The system contains ~ 150 mM NaCl.
DOI: 10.48370/ofd/cfmcwd
title: Hypoxylon fragiforme (Pers.) J.Kickx f., 1850

description: Fungarium Macromycetes
DOI: 10.48370/ofd/9uybes/fxa5td
title: Sidorczuk Adam.pdf

description: :unav
DOI: 10.48370/ofd/9uybes
title: Morfologia, biologia, ekologia i rozmieszczenie w północno-wschodniej Polsce Ropalopus clavipes (Fabricius, 1775) (Coleoptera: Cerambycidae)

description: Promotor: Jerzy M. Gutowski
DOI: 10.6084/m9.figshare.19298624
title: RT DATA COVID 19 Treatment Interruptions.xlsx

description: Treatment Interruptions among COVID Positive and Negative Patients.
DOI: 10.6084/m9.figshare.19298624.v1
title: RT DATA COVID 19 Treatment Interruptions.xlsx

description: Treatment Interruptions among COVID Positive and Negative Patients.
DOI: 10.6084/m9.figshare.13635212
title: Data S1; Data S2

description: Data S1. Dataset for train Convolutional Neural Networks.<br><br>Data S2. Dataset of 16,739 plots (0.5 ha) location and classification. ID, Land_cover, Score, Location, Region, Dryland, and 5-Fold cross validation.<br><br>
DOI: 10.7488/f2253cf7-890f-4c38-8035-bfac09636ca4
title: Practices and Perceptions of GPs - Dhiraj Agarwal's Fellowship

description: This data collected as a part of Fellowship study in which perception and practices of GPs involved in asthma and COPD diagnosis and management were documented. Data includes questionnaire data and qualitative data.
DOI: 10.48370/ofd/uyvkfl
title: Hypoxylon fuscum (Persoon) Fries, 939

description: Fungarium Macromycetes
DOI: 10.57672/f78g-fv67
title: MilliyetNER
DOI: 10.48370/ofd/aby9ii
title: Rosellinia thelena (Fries) Rabenhorst, 2950

description: Fungarium Makromycetes
DOI: 10.48370/ofd/apzpwv
title: Hypoxylon fuscum (Persoon) Fries, 957

description: Fungarium Macromycetes
DOI: 10.25375/uct.17294087
title: SA Child Mean ± SD Intake Values Supplementary Database

description: <b>SA Child Mean ± SD Intake Values Supplementary Database</b><b><br></b>A supplementary nutrient composition database built as part of the SA Child Mean <b>± SD </b>Intake Values research work (Sonia Malczyk UCT Master's project). This dataset includes values for six additional food parameters (flavan-3-ols, flavones, flavonols, flavonones, anthocyanidins, isoflavones) not currently included in the South African Medical Research Council Food Composition Database.
DOI: 10.48370/ofd/pahink
title: Hypoxylon fuscum (Persoon) Fries, 1354

description: Fungarium Macromycetes
DOI: 10.48370/ofd/ha2fsd
title: Rozites caperatus (Pers.: Fr.) P. Karst., 1717

description: Fungarium Makromycetes
DOI: 10.5281/zenodo.6324953
title: Dataset - Electrically Micro‐Polarized Amorphous Sodo‐Niobate Film Competing with Crystalline Lithium Niobate Second‐Order Optical Response

description: Dataset related to the article: Electrically Micro‐Polarized Amorphous Sodo‐Niobate Film Competing with Crystalline Lithium Niobate Second‐Order Optical Response. Lara Karam, Frédéric Adamietz, Dominique Michau, Claudia Gonçalves, Myungkoo Kang, Rashi Sharma, Ganapathy Senthil Murugan, Thierry Cardinal, Evelyn Fargin, Vincent Rodriguez, Kathleen A. Richardson, Marc Dussauze. Advanced Optical Materials. 2020, volume 8, issue 13<br> https://doi.org/10.1002/adom.202000202 The data collected correspond to the optical properties of niobates thin films (indices and second order optical response, raw data and fit). Format: .txt
DOI: 10.5281/zenodo.6324952
title: Dataset - Electrically Micro‐Polarized Amorphous Sodo‐Niobate Film Competing with Crystalline Lithium Niobate Second‐Order Optical Response

description: Dataset related to the article: Electrically Micro‐Polarized Amorphous Sodo‐Niobate Film Competing with Crystalline Lithium Niobate Second‐Order Optical Response. Lara Karam, Frédéric Adamietz, Dominique Michau, Claudia Gonçalves, Myungkoo Kang, Rashi Sharma, Ganapathy Senthil Murugan, Thierry Cardinal, Evelyn Fargin, Vincent Rodriguez, Kathleen A. Richardson, Marc Dussauze. Advanced Optical Materials. 2020, volume 8, issue 13<br> https://doi.org/10.1002/adom.202000202 The data collected correspond to the optical properties of niobates thin films (indices and second order optical response, raw data and fit). Format: .txt
DOI: 10.48370/ofd/tifswx
title: Hypoxylon fuscum (Persoon) Fries, 1834

description: Fungarium Macromycetes
DOI: 10.34808/j1ra-xv06
title: Vibration data for 1205 EKTN9 bearings

description: The data contains measurements of vibration obtained with VIBstand manufactured by EC systems.
Lab stand contains: induction motor powered by inverter1:2.8 Gear (intentionaly damaged), 2 1205 EKTN9 bearings pleaced on the shaft on the secondary side of the gear (1 intentionaly damaged), 3 VIS-311A sensors named as VIB1-VIB3:VIB1 is pleaced on the housing of intentionally damaged bearing in radial directionVIB2 is pleaced on the housing of healthy bearing in radial directionVIB3 is pleaced on the housing of gear in axial directionSM8-31010PA Hall effect sensor used as magnetic encoder.
Each measurement contains set of 3 matrices and 1 vector in txt files.For each sensor: matrix of sensor signal,  additionally one vector of motor speed.In position 0,0 of each matrix is a marker (1,1 - VIB1; 1,2 - VIB2; 1,3 - VIB3).Signals were registered for ten time windows of 10 seconds length with sampling frequency of 10kHz. The first row of the matrix is the measurement start time saved in the corresponding column. First column of the matrix contains the vector of time for all recorded time windows [s]. Vector of motor speed contains averaged motor speed [Hz] for each time window.Data is divided in two parts, one with intentionally damaged bearing and one with new bearing.
DOI: 10.48370/ofd/iyxn65
title: Hypoxylon fuscum (Persoon) Fries, 1853

description: Fungarium Macromycetes
DOI: 10.5517/ccdc.csd.cc273tsz
title: CCDC 2059261: Experimental Crystal Structure Determination

description: Related Article: Hanhan Chen, Kangting Zheng, Chunli Chen, Yanhong Zhu, Pengtao Ma, Jingping Wang, Jingyang Niu|2022|Inorg.Chem.|61|3387|doi:10.1021/acs.inorgchem.1c03073
DOI: 10.5517/ccdc.csd.cc273tv1
title: CCDC 2059263: Experimental Crystal Structure Determination

description: Related Article: Hanhan Chen, Kangting Zheng, Chunli Chen, Yanhong Zhu, Pengtao Ma, Jingping Wang, Jingyang Niu|2022|Inorg.Chem.|61|3387|doi:10.1021/acs.inorgchem.1c03073
DOI: 10.5517/ccdc.csd.cc28rbw8
title: CCDC 2107810: Experimental Crystal Structure Determination

description: Related Article: Xiaolei Zhu, Yangen Huang, Xiuhua Xu, Fengling Qing|2021|Chin.Chem.Lett.|33|817|doi:10.1016/j.cclet.2021.07.030
DOI: 10.48370/ofd/mwqrig/hgsncf
title: Szczepański Maciej.pdf

description: :unav
DOI: 10.48370/ofd/mwqrig
title: Rola lasów w ochronie wód na przykładzie Nadleśnictwa Czarna Białostocka.

description: Promotor: Małgorzata Rauba
DOI: 10.57672/p23d-b492
title: TS TimeLine News Category Dataset
DOI: 10.6084/m9.figshare.19291934
title: Experimental Data for Community assembly and stability in the root microbiota during early plant development

description: The experimental data for "Community assembly and stability in the root microbiota during early plant development". Bacterial and fungal sequencing data sampled from roots of Setaria viridis.
DOI: 10.6084/m9.figshare.19291934.v1
title: Experimental Data for Community assembly and stability in the root microbiota during early plant development

description: The experimental data for "Community assembly and stability in the root microbiota during early plant development". Bacterial and fungal sequencing data sampled from roots of Setaria viridis.
DOI: 10.48370/ofd/wcifme/i15xkt
title: Śleszyńska Justyna.pdf

description: :unav
DOI: 10.48370/ofd/wcifme
title: Analiza populacji łosia (Alces alces) w Puszczy Knyszyńskiej

description: Promotor: Robert Cierech
DOI: 10.48370/ofd/2uv9vs
title: Hypoxylon fuscum (Persoon) Fries, 1882

description: Fungarium Macromycetes
DOI: 10.5286/isis.e.rb2210335
title: Probing the magnetic and crystal structure of multiferroic boracite Cu3B7O13Cl

description: Cu3B7O13Cl is a magnetic multiferroic member in the family of M3B7O13X (M=divalent metal; X=halogens). Single crystal sample shows a magnetic transition around 9K and below that another transition appears but we do not know its origin, it could be spin reorientation or structural transition. Whilst there are predictions made for this compound, the origin of the magnetoelectric coupling is still to be explored/confirmed experimentally. For this investigation, the first and most important step is to find out the arrangement of magnetic spins with respect to the crystal structure. Cu has low magnetic moment and B10 is a neutron absorbent and hence we are proposing here to perform a detailed powder neutron diffraction on a 10g B11 enriched Cu3B7O13Cl powder sample across the possible transitions identified by our bulk property measurements.
DOI: 10.48370/ofd/lgaydf
title: Hypoxylon fuscum (Persoon) Fries, 2434

description: Fungarium Macromycetes
DOI: 10.5286/isis.e.rb2210335-1
title: Probing the magnetic and crystal structure of multiferroic boracite Cu3B7O13Cl

description: Cu3B7O13Cl is a magnetic multiferroic member in the family of M3B7O13X (M=divalent metal; X=halogens). Single crystal sample shows a magnetic transition around 9K and below that another transition appears but we do not know its origin, it could be spin reorientation or structural transition. Whilst there are predictions made for this compound, the origin of the magnetoelectric coupling is still to be explored/confirmed experimentally. For this investigation, the first and most important step is to find out the arrangement of magnetic spins with respect to the crystal structure. Cu has low magnetic moment and B10 is a neutron absorbent and hence we are proposing here to perform a detailed powder neutron diffraction on a 10g B11 enriched Cu3B7O13Cl powder sample across the possible transitions identified by our bulk property measurements.
DOI: 10.5286/isis.e.rb2210014
title: Magnetic-Field-Induced Ferroelectric State in BaHoFeO4

description: For the last few decades, research interest in the multiferroics field has grown enormously due to the spontaneous and switchable internal alignment of spins and dipoles. The coexistence of two mutually exclusive phenomena in multiferroics allows ferroic orderings to be tuned by fields other than their conjugates. We have found a magnetic-field-induced ferroelectric state in BaHoFeO4 as confirmed by various dielectric and magnetic measurements in quest of new multiferroic. Magnetic symmetry can play an essential role in spin-induced multiferroicity. Hence, we need to perform a neutron diffraction experiment to understand the evolution of magnetic structure giving rise to multiferroicity in the compound under a magnetic field.
DOI: 10.5286/isis.e.rb2210014-1
title: Magnetic-Field-Induced Ferroelectric State in BaHoFeO4

description: For the last few decades, research interest in the multiferroics field has grown enormously due to the spontaneous and switchable internal alignment of spins and dipoles. The coexistence of two mutually exclusive phenomena in multiferroics allows ferroic orderings to be tuned by fields other than their conjugates. We have found a magnetic-field-induced ferroelectric state in BaHoFeO4 as confirmed by various dielectric and magnetic measurements in quest of new multiferroic. Magnetic symmetry can play an essential role in spin-induced multiferroicity. Hence, we need to perform a neutron diffraction experiment to understand the evolution of magnetic structure giving rise to multiferroicity in the compound under a magnetic field.
DOI: 10.5286/isis.e.rb2210342
title: Phase mixing behaviour in evaporated thin films

description: The photovoltaic active layer of organic photovoltaics (OPVs) consists of a mixture of at least two kinds of energetically offset organic molecules, which gives rise to a complex microstructure across multiple length scales from Angstroms to micrometres. A common method to study the mixing of Polymer:Fullerene systems has been Small Angle Neutron Scattering (SANS), but the advantages of this technique have so far remained little exploited for vacuum evaporated small molecule-based systems, which are closest to commercial viability. We have recently successfully demonstrated the use of SANS to study the mixing behaviour of OPV evaporated thin films. We seek to expand upon our preliminary results to study the phase behaviour of vacuum evaporated thin films when the mixing ratio and substrate temperature is varied, and the effects on performance and characteristics of matching devices.
DOI: 10.5286/isis.e.rb2210342-1
title: Phase mixing behaviour in evaporated thin films

description: The photovoltaic active layer of organic photovoltaics (OPVs) consists of a mixture of at least two kinds of energetically offset organic molecules, which gives rise to a complex microstructure across multiple length scales from Angstroms to micrometres. A common method to study the mixing of Polymer:Fullerene systems has been Small Angle Neutron Scattering (SANS), but the advantages of this technique have so far remained little exploited for vacuum evaporated small molecule-based systems, which are closest to commercial viability. We have recently successfully demonstrated the use of SANS to study the mixing behaviour of OPV evaporated thin films. We seek to expand upon our preliminary results to study the phase behaviour of vacuum evaporated thin films when the mixing ratio and substrate temperature is varied, and the effects on performance and characteristics of matching devices.
DOI: 10.5286/isis.e.rb2210009
title: Neutron Diffraction Studies of Metal-Organic Frameworks for Ammonia Adsorption

description: Porous metal-organic frameworks (MOFs) have gained considerable attention due to their potential in many applications, including gas separation and storage. There is particular interest on ammonia adsorption owing to the high volumetric and gravimetric hydrogen energy density of ammonia. We seek to develop MOF materials with exceptional, reversible ammonia capacity and request 4 days on WISH to study the preferred binding sites and orientation of adsorbed guest ND3 molecules. This proposed study will investigate the precise locations of ND3 molecules within a series of Cu(II)-based MOFs, namely MFM-100, MFM-101 and MFM-102. These MOFs exhibit exceptionally high capacity for ammonia at ambient conditions with repeatable cycles, representing state-of-the-art materials in the field. The high resolution, low background and large d-spacing capabilities of WISH will enable structural insight.
DOI: 10.5286/isis.e.rb2210009-1
title: Neutron Diffraction Studies of Metal-Organic Frameworks for Ammonia Adsorption

description: Porous metal-organic frameworks (MOFs) have gained considerable attention due to their potential in many applications, including gas separation and storage. There is particular interest on ammonia adsorption owing to the high volumetric and gravimetric hydrogen energy density of ammonia. We seek to develop MOF materials with exceptional, reversible ammonia capacity and request 4 days on WISH to study the preferred binding sites and orientation of adsorbed guest ND3 molecules. This proposed study will investigate the precise locations of ND3 molecules within a series of Cu(II)-based MOFs, namely MFM-100, MFM-101 and MFM-102. These MOFs exhibit exceptionally high capacity for ammonia at ambient conditions with repeatable cycles, representing state-of-the-art materials in the field. The high resolution, low background and large d-spacing capabilities of WISH will enable structural insight.
DOI: 10.5286/isis.e.rb2210214
title: Probing the efficacy of Li-ion and Na-ion storage in hard carbon electrodes via total neutron scattering at different states of discharge

description: Sodium-ion battery technology is an emerging topic of interest for energy storage applications due to its lower cost and safer nature compared to lithium-ion (Li-ion) batteries. Amorphous hard carbon (HC) materials, which were employed during the commercialization of Li-ion batteries by Sony have been suggested as a leading candidate for the Na-ion battery anode. In this project, we will continue to study HC electrodes post cycling, which according to our recent review has not to the best of our knowledge been performed. By studying the structure of the materials post-cycling and relating the performance to the HC structure we hope to elucidate charge storage mechanisms and guide the design of HC materials for optimized performance in Na-ion batteries. By studying HC vs Li post cycling we aim to be able to further elucidate the structure-performance relationship against the literature.