cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8176767
title: Exploring Terahertz Spectral Characteristics of L-sorbose and D-melibiose in Solid and Liquid States (data)

description: Saccharides are essential organic compounds that perform critical functions in sustaining life processes. As biomolecules, their vibrational frequencies predominantly fall in the terahertz (THz) range, making them amenable to analysis using THz techniques. This study selected L-sorbose and D-melibiose as representative examples of monosaccharides and polysaccharides, respectively, to decipher saccharide synthesis and degradation mechanisms during metabolic processes in living organisms. The spectral properties of these saccharides were measured using a THz time-domain spectroscopy (THz-TDS) system covering a frequency range of 0.1–2.0 THz, and their crystal structures were simulated using density functional theory (DFT). The experimental results demonstrated significant agreement with the simulation findings. In addition, the spectral properties of the two saccharides in solution were determined using microfluidic chip technology, thereby facilitating a comparison between the solid and aqueous states. We found that the absorption band changed in two states. The results demonstrate that the intramolecular and intermolecular interactions of the saccharides were weakened by the presence of water molecules, and the THz absorption spectrum of the same substance solution was found to be correlated with its concentration and temperature.
DOI: 10.5281/zenodo.8176768
title: Exploring Terahertz Spectral Characteristics of L-sorbose and D-melibiose in Solid and Liquid States (data)

description: Saccharides are essential organic compounds that perform critical functions in sustaining life processes. As biomolecules, their vibrational frequencies predominantly fall in the terahertz (THz) range, making them amenable to analysis using THz techniques. This study selected L-sorbose and D-melibiose as representative examples of monosaccharides and polysaccharides, respectively, to decipher saccharide synthesis and degradation mechanisms during metabolic processes in living organisms. The spectral properties of these saccharides were measured using a THz time-domain spectroscopy (THz-TDS) system covering a frequency range of 0.1–2.0 THz, and their crystal structures were simulated using density functional theory (DFT). The experimental results demonstrated significant agreement with the simulation findings. In addition, the spectral properties of the two saccharides in solution were determined using microfluidic chip technology, thereby facilitating a comparison between the solid and aqueous states. We found that the absorption band changed in two states. The results demonstrate that the intramolecular and intermolecular interactions of the saccharides were weakened by the presence of water molecules, and the THz absorption spectrum of the same substance solution was found to be correlated with its concentration and temperature.
DOI: 10.5281/zenodo.7973837
title: Lipid membrane simulations with flat-bottom and double-bilayer setups, part 1/2

description: To cite: Biriukov, D. and Javanainen, M. Efficient Simulations of Solvent Asymmetry Across Lipid Membranes Using Flat-Bottom Restraints. J. Chem. Theory Comput. 2023, 19 (18), 6332–6341. DOI: 10.1021/acs.jctc.3c00614


Gromacs molecular dynamics simulations to compare membrane and solvent properties from lipid membrane simulations with flat-bottom and double-bilayer setups. CHARMM36 force field was used except for simulations with peptides, where a prosECCo model was used [Nencini et al., Biophys. J. 121, 157a (2022)]


This dataset contains all the topologies and flat-bottom simulation files. The double-bilayer simulation files can be found in part 2: DOI: 10.5281/zenodo.7974633


Abbreviations in the names of simulation files:



	
"fb" - simulations with a flat-bottom setup
	
"2m" - simulations with two lipid membranes, i.e., a double-bilayer setup
	
"popc" - membrane is modeled as a POPC lipid bilayer
	
"mix" - a realistic membrane with various lipids is modeled, resembling the composition from [Lorent et al., Nat. Methods 16, 644–652 (2020)]
	
"nak" - only sodium and potassium cations, together with chloride anions, are present in the system
	
"ext" - as "nak", but also calcium and magnesium cations are added
	
"r9" - as "nak" but also R9 (nona-arginine) peptides are added on both sides of the membrane
	
"r9k" - as "nak" but also R9 (nona-arginine) peptides are added on the extracellular side of the membrane
	
"one" - ions are present only on one side of a lipid membrane
	
"freecl" - flat-bottom simulations but without restraints on chloride anions
	
"s" - simulations were performed using the scaled-charge prosECCo75 force field based on CHARMM [Nencini et al., Biophys. J. 121, 157a (2022)]
	
"restr" - restraint .gro file with ionic/peptide z coordinates set to zero
DOI: 10.5281/zenodo.7973838
title: Lipid membrane simulations with flat-bottom and double-bilayer setups, part 1/2

description: To cite: Biriukov, D. and Javanainen, M. Efficient Simulations of Solvent Asymmetry Across Lipid Membranes Using Flat-Bottom Restraints. J. Chem. Theory Comput. 2023, 19 (18), 6332–6341. DOI: 10.1021/acs.jctc.3c00614


Gromacs molecular dynamics simulations to compare membrane and solvent properties from lipid membrane simulations with flat-bottom and double-bilayer setups. CHARMM36 force field was used except for simulations with peptides, where a prosECCo model was used [Nencini et al., Biophys. J. 121, 157a (2022)]


This dataset contains all the topologies and flat-bottom simulation files. The double-bilayer simulation files can be found in part 2: DOI: 10.5281/zenodo.7974633


Abbreviations in the names of simulation files:



	
"fb" - simulations with a flat-bottom setup
	
"2m" - simulations with two lipid membranes, i.e., a double-bilayer setup
	
"popc" - membrane is modeled as a POPC lipid bilayer
	
"mix" - a realistic membrane with various lipids is modeled, resembling the composition from [Lorent et al., Nat. Methods 16, 644–652 (2020)]
	
"nak" - only sodium and potassium cations, together with chloride anions, are present in the system
	
"ext" - as "nak", but also calcium and magnesium cations are added
	
"r9" - as "nak" but also R9 (nona-arginine) peptides are added on both sides of the membrane
	
"r9k" - as "nak" but also R9 (nona-arginine) peptides are added on the extracellular side of the membrane
	
"one" - ions are present only on one side of a lipid membrane
	
"freecl" - flat-bottom simulations but without restraints on chloride anions
	
"s" - simulations were performed using the scaled-charge prosECCo75 force field based on CHARMM [Nencini et al., Biophys. J. 121, 157a (2022)]
	
"restr" - restraint .gro file with ionic/peptide z coordinates set to zero
DOI: 10.5281/zenodo.8015694
title: Fire-prone monodominant vegetation acts as carbon sinks after fire - Data

description: These data are part of the analysis and results found in the article in process of publication entitled -


Fire-prone monodominant vegetation acts as carbon sinks after fire
DOI: 10.5281/zenodo.8015695
title: Fire-prone monodominant vegetation acts as carbon sinks after fire - Data

description: These data are part of the analysis and results found in the article in process of publication entitled -


Fire-prone monodominant vegetation acts as carbon sinks after fire
DOI: 10.5281/zenodo.10154495
title: Genetic characterisation of two novel heterozygous variants disrupting H bonds and 53 GPI gene variants

description: 55 Missense/nonsense mutations in the GPI gene.
DOI: 10.5281/zenodo.10154496
title: Genetic characterisation of two novel heterozygous variants disrupting H bonds and 53 GPI gene variants

description: 55 Missense/nonsense mutations in the GPI gene.
DOI: 10.6084/m9.figshare.24586665
title: Annotation file of Zacco platypus

description: Annotation file of Zacco platypus
DOI: 10.6084/m9.figshare.24586653
title: Ecological Democracy

description: Raw qualitative data to be analyzed in order to elaborate the concept of ecological democracy.
DOI: 10.6084/m9.figshare.24586653.v1
title: Ecological Democracy

description: Raw qualitative data to be analyzed in order to elaborate the concept of ecological democracy.
DOI: 10.5281/zenodo.10069826
title: Predicting medicinal phytochemicals of Moringa oleifera using hyperspectral reflectance of tree canopies

description: Research article:  https://doi.org/10.1080/01431161.2021.1887541
New technique for processing hyperspectral data: 1)https://www.researchgate.net/publication/349663204_Computer_vision_and_hyperspectral_imagery_in_orchards_and_in_fields_Data_processing_and_analysis_methods
2)https://www.researchgate.net/profile/Vjacheslav-Fisenko/publication/349663204/figure/fig13/AS:1139984849485825@1648804976658/3-D-visualization-of-reflectance-spectra-of-four-medicinal-plant-genotypesPredicting_W640.jpg
DOI: 10.5281/zenodo.10069825
title: Predicting medicinal phytochemicals of Moringa oleifera using hyperspectral reflectance of tree canopies

description: Research article:  https://doi.org/10.1080/01431161.2021.1887541
New technique for processing hyperspectral data: 1)https://www.researchgate.net/publication/349663204_Computer_vision_and_hyperspectral_imagery_in_orchards_and_in_fields_Data_processing_and_analysis_methods
2)https://www.researchgate.net/profile/Vjacheslav-Fisenko/publication/349663204/figure/fig13/AS:1139984849485825@1648804976658/3-D-visualization-of-reflectance-spectra-of-four-medicinal-plant-genotypesPredicting_W640.jpg
DOI: 10.5281/zenodo.10154351
title: Drive with Your Brain: Personalized Prediction of Driving Behaviors with DR-EEG Decoding and Situational Embeddings

description: These are the relevant codes for 'Drive with Your Brain: Personalized Prediction of Driving Behaviors with DR-EEG Decoding and Situational Embedding'. This dataset contains 14 folders. The content descriptions of these folders can be found in the 'ReadMe.txt' file, and each code file provides information about the input, output, and methods. It is important to note that the 'Data' folder is used to save the raw data, and other codes use loops to read data from the data list. There are several examples in the 'Data' folder. Please save driving data and EEG data according to the form of the examples. In addition, it also includes a compressed file that contains some of the data cases used in the test model. Please make sure to store the data in the specified format or modify the file paths accordingly when using the codes.
DOI: 10.5281/zenodo.10154352
title: Drive with Your Brain: Personalized Prediction of Driving Behaviors with DR-EEG Decoding and Situational Embeddings

description: These are the relevant codes for 'Drive with Your Brain: Personalized Prediction of Driving Behaviors with DR-EEG Decoding and Situational Embedding'. This dataset contains 14 folders. The content descriptions of these folders can be found in the 'ReadMe.txt' file, and each code file provides information about the input, output, and methods. It is important to note that the 'Data' folder is used to save the raw data, and other codes use loops to read data from the data list. There are several examples in the 'Data' folder. Please save driving data and EEG data according to the form of the examples. In addition, it also includes a compressed file that contains some of the data cases used in the test model. Please make sure to store the data in the specified format or modify the file paths accordingly when using the codes.
DOI: 10.17903/fk2/qoxbnt
title: Values in Crisis Survey (first wave)

description: The COVID-19 crisis is manifold and poses major health, economic and social challenges for current societies. Long-term monitoring of central values and attitudes of citizens in times of crises help to grasp current social and political tensions. Taking this ambition to the global scale and providing comparable data across nations is the main aim of the Values in Crisis Study (VIC). Christian Welzel, together with well-known researchers in Germany, UK and Sweden initiated the study and finally 18 countries collaborated in this project. Currently, the Values in Crisis (VIC) Survey is by our knowledge the only international longitudinal survey project on attitudes and values providing data on a global scale. Τhe first wave of Greece is available, through the EKKE repository on SoDaNet Data Catalogue where the data and questionnaires are available in Greek and English. A second and a third wave will take place in 2021 and 2022. In 2022 it is assumed that we will be at the end of the pandemic, when a fully comparative picture of the values of Greeks at the beginning, middle and end of the pandemic will exist.
DOI: 10.5281/zenodo.10081202
title: Data of resulting velocity and anisotropic models, and travel-times of the Tanlu fault zone

description: Data of resulting velocity and anisotropic models, and travel-times for essay "Uppermost mantle structure and dynamics of the Tanlu fault zone: New insights from Pn anisotropic tomography"
DOI: 10.5281/zenodo.10081203
title: Data of resulting velocity and anisotropic models, and travel-times of the Tanlu fault zone

description: Data of resulting velocity and anisotropic models, and travel-times for essay "Uppermost mantle structure and dynamics of the Tanlu fault zone: New insights from Pn anisotropic tomography"
DOI: 10.5281/zenodo.10154577
title: Data of resulting velocity and anisotropic models, and travel-times of the Tanlu fault zone
DOI: 10.6084/m9.figshare.24586584
title: ILF3-聚碳酸酯

description: None
DOI: 10.5281/zenodo.10154649
title: BSEC Method for Unveiling Clusters and 83 New Clusters

description: Data of star clusters that are used in the paper entitled "BSEC method for unveiling open clusters and its application to Gaia DR3: 83 new clusters".
DOI: 10.5281/zenodo.10154650
title: BSEC Method for Unveiling Clusters and 83 New Clusters

description: Data of star clusters that are used in the paper entitled "BSEC method for unveiling open clusters and its application to Gaia DR3: 83 new clusters".
DOI: 10.5281/zenodo.10154725
title: BSEC Method for Unveiling Clusters and 83 New Clusters

description: Data of star clusters that are used in the paper entitled "BSEC method for unveiling open clusters and its application to Gaia DR3: 83 new clusters".
DOI: 10.5281/zenodo.6544653
title: Arctic Great Rivers Dissolved Organic Carbon River Export Analysis

description: This repository has data for the estimation of dissolved organic carbon and colored dissolved organic carbon in the 6 Great Arctic Rivers. The data has been derived from the arcticgreatrivers.org repository for use in the USGS LOADEST model https://water.usgs.gov/software/loadest/ to predict river mass load as a function of measured discharge. The *_discharg.dat files contain the river discharge data from arcticgreatrivers.org, the *calib_MMMM.dat files contain the derived calibration concentration structured as date time discharge(CFS) DOC(mg/L) CDOC(mg/L) There is also a file River_CDOM_April2021.mat that is a MATLAB data structure with the information used in the DOC derivation for each river. J. Blake Clark should be contacted at bclark@umbc.edu with any specific questions. for further details.
DOI: 10.5281/zenodo.6567649
title: Arctic Rivers Dissolved Organic Carbon River Export Analysis

description: This repository has data for the estimation of dissolved organic carbon and colored dissolved organic carbon in the 6 Great Arctic Rivers. The data has been derived from the arcticgreatrivers.org repository for use in the USGS LOADEST model https://water.usgs.gov/software/loadest/ to predict river mass load as a function of measured discharge. The *_discharge.dat files contain the river discharge data from arcticgreatrivers.org and each *.tar directory with the river's name contain the output file from the LOADEST model with 100 model runs each for each parameter defined below. DOC=Dissolved organic carbon (mg/L) CDOC=Colored dissolved organic carbon (mg/L) S1=CDOM absorption spectral slope between 275-295 nm (1/nm) S2=CDOM absorption spectral slope between 350-400 nm (1/nm) a300 = CDOM absorption at 300 nm (1/m) There is also a file River_CDOM_PUB.mat that is a MATLAB data structure with the data used to construct the LOADEST model input files. Dr. J. Blake Clark should be contacted at bclark@umbc.edu with any specific questions.
DOI: 10.5281/zenodo.7600207
title: Arctic Rivers Dissolved Organic Carbon River Export Analysis

description: This repository has data for the estimation of dissolved organic carbon and colored dissolved organic carbon in the 6 Great Arctic Rivers. The data has been derived from the arcticgreatrivers.org repository for use in the USGS LOADEST model https://water.usgs.gov/software/loadest/ to predict river mass load as a function of measured discharge. The *_discharge.dat files contain the river discharge data from arcticgreatrivers.org and each *.tar directory with the river's name contain the output file from the LOADEST model with 100 model runs each for each parameter defined below.  The netcdf file ArcticRivers_CarbonTrends.nc contains all of the LOADEST model prediction ensembles and mean/total seasonal values used in the trend analysis.


DOC=Dissolved organic carbon (mg/L)


CDOC=Colored dissolved organic carbon (mg/L)


S1=CDOM absorption spectral slope between 275-295 nm (1/nm)


S2=CDOM absorption spectral slope between 350-400 nm (1/nm)


a300 = CDOM absorption at 300 nm (1/m)


There is also a file River_CDOM_PUB.mat that is a MATLAB data structure with the data used to construct the LOADEST model input files.


Dr. J. Blake Clark should be contacted at bclark@umbc.edu with any specific questions.
DOI: 10.5281/zenodo.6544652
title: Arctic Rivers Dissolved Organic Carbon River Export Analysis

description: This repository has data for the estimation of dissolved organic carbon and colored dissolved organic carbon in the 6 Great Arctic Rivers. The data has been derived from the arcticgreatrivers.org repository for use in the USGS LOADEST model https://water.usgs.gov/software/loadest/ to predict river mass load as a function of measured discharge. The *_discharge.dat files contain the river discharge data from arcticgreatrivers.org and each *.tar directory with the river's name contain the output file from the LOADEST model with 100 model runs each for each parameter defined below.  The netcdf file ArcticRivers_CarbonTrends.nc contains all of the LOADEST model prediction ensembles and mean/total seasonal values used in the trend analysis.


DOC=Dissolved organic carbon (mg/L)


CDOC=Colored dissolved organic carbon (mg/L)


S1=CDOM absorption spectral slope between 275-295 nm (1/nm)


S2=CDOM absorption spectral slope between 350-400 nm (1/nm)


a300 = CDOM absorption at 300 nm (1/m)


There is also a file River_CDOM_PUB.mat that is a MATLAB data structure with the data used to construct the LOADEST model input files.


Dr. J. Blake Clark should be contacted at bclark@umbc.edu with any specific questions.
DOI: 10.5281/zenodo.7308660
title: Arctic Rivers Dissolved Organic Carbon River Export Analysis

description: This repository has data for the estimation of dissolved organic carbon and colored dissolved organic carbon in the 6 Great Arctic Rivers. The data has been derived from the arcticgreatrivers.org repository for use in the USGS LOADEST model https://water.usgs.gov/software/loadest/ to predict river mass load as a function of measured discharge. The *_discharge.dat files contain the river discharge data from arcticgreatrivers.org and each *.tar directory with the river's name contain the output file from the LOADEST model with 100 model runs each for each parameter defined below. The netcdf file ArcticRivers_CarbonTrends.nc contains all of the LOADEST model prediction ensembles and mean/total seasonal values used in the trend analysis. DOC=Dissolved organic carbon (mg/L) CDOC=Colored dissolved organic carbon (mg/L) S1=CDOM absorption spectral slope between 275-295 nm (1/nm) S2=CDOM absorption spectral slope between 350-400 nm (1/nm) a300 = CDOM absorption at 300 nm (1/m) There is also a file River_CDOM_PUB.mat that is a MATLAB data structure with the data used to construct the LOADEST model input files. Dr. J. Blake Clark should be contacted at bclark@umbc.edu with any specific questions.
DOI: 10.6084/m9.figshare.24586851
title: 20231119_starrydata2

description: All data on Starrydata2, a database of experimental properties in the field of inorganic materials
DOI: 10.6084/m9.figshare.24586851.v1
title: 20231119_starrydata2

description: All data on Starrydata2, a database of experimental properties in the field of inorganic materials
DOI: 10.6084/m9.figshare.24586839
title: <b>The causal relationship between immune cells and attention deficit hyperactivity disorder: Insights from a genome-wide association study</b>

description: <b>背景：</b>注意力不集中缺陷多动障碍 （ADHD） 可能涉及免疫相关炎症作为重要的病理生理机制。此外，多动症还与自身免疫性疾病有关。研究免疫细胞与ADHD之间的相关性可以为管理和避免ADHD提供新的可能性。然而，目前还缺乏关于免疫细胞和ADHD之间的因果关系的结论性确定。<b>方法：</b>利用731项全基因组关联研究（GWAS）和精神病学基因组学联盟（PGC）对免疫细胞研究的统计数据，我们进行了一项双向双样本孟德尔随机化研究。主要目的是辨别免疫细胞表型与ADHD之间是否存在因果关系。我们通过几项敏感性分析来补充我们的研究结果。<b>结果：</b>我们的分析显示，20种免疫细胞表型与患ADHD的风险显著相关。在采用错误发现率（FDR）校正后，我们确定了四种可能与ADHD有因果关系的免疫细胞。这些免疫细胞包括静息调节性T细胞上的CD3（OR=0.825,95%CI=0.888~0.963，P=1.54×10-4），CD4调节性T细胞上的CD25（OR=0.952,95%CI=0.923~0.982，P=1.88×10-3），CD39+静息调节性T细胞上的CD3（OR=1.078,95%CI=1.028~1.131，P=1.89×10-3）和IgD+CD38未切换记忆B细胞上的CD27（OR=1.047， 95% CI=1.017-1.079，P=2.42 × 10-3）。此外，我们还发现了ADHD与其他39种免疫细胞之间的潜在因果关系。应用FDR校正后，我们注意到ADHD与CD62L树突状细胞之间存在潜在的因果关系（OR=1.522,95%CI=1.207~1.920，P=3.87×10-4）。<b>结论：</b>我们的研究令人信服地证明了免疫细胞与多动症之间存在显着的因果关系。这些发现有可能指导未来围绕免疫细胞过程的ADHD干预和治疗。
DOI: 10.6084/m9.figshare.24586839.v1
title: <b>The causal relationship between immune cells and attention deficit hyperactivity disorder: Insights from a genome-wide association study</b>

description: <b>背景：</b>注意力不集中缺陷多动障碍 （ADHD） 可能涉及免疫相关炎症作为重要的病理生理机制。此外，多动症还与自身免疫性疾病有关。研究免疫细胞与ADHD之间的相关性可以为管理和避免ADHD提供新的可能性。然而，目前还缺乏关于免疫细胞和ADHD之间的因果关系的结论性确定。<b>方法：</b>利用731项全基因组关联研究（GWAS）和精神病学基因组学联盟（PGC）对免疫细胞研究的统计数据，我们进行了一项双向双样本孟德尔随机化研究。主要目的是辨别免疫细胞表型与ADHD之间是否存在因果关系。我们通过几项敏感性分析来补充我们的研究结果。<b>结果：</b>我们的分析显示，20种免疫细胞表型与患ADHD的风险显著相关。在采用错误发现率（FDR）校正后，我们确定了四种可能与ADHD有因果关系的免疫细胞。这些免疫细胞包括静息调节性T细胞上的CD3（OR=0.825,95%CI=0.888~0.963，P=1.54×10-4），CD4调节性T细胞上的CD25（OR=0.952,95%CI=0.923~0.982，P=1.88×10-3），CD39+静息调节性T细胞上的CD3（OR=1.078,95%CI=1.028~1.131，P=1.89×10-3）和IgD+CD38未切换记忆B细胞上的CD27（OR=1.047， 95% CI=1.017-1.079，P=2.42 × 10-3）。此外，我们还发现了ADHD与其他39种免疫细胞之间的潜在因果关系。应用FDR校正后，我们注意到ADHD与CD62L树突状细胞之间存在潜在的因果关系（OR=1.522,95%CI=1.207~1.920，P=3.87×10-4）。<b>结论：</b>我们的研究令人信服地证明了免疫细胞与多动症之间存在显着的因果关系。这些发现有可能指导未来围绕免疫细胞过程的ADHD干预和治疗。