cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2f282w
title: CCDC 2236497: Experimental Crystal Structure Determination

description: Related Article: Hua Zhang, Zhe-Kun Xu, Zhong-Xia Wang, Hang Yu, Hui-Peng Lv, Peng-Fei Li, Wei-Qiang Liao, Ren-Gen Xiong|2023|J.Am.Chem.Soc.|145|4892|doi:10.1021/jacs.3c00646
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.cc2f283x
title: CCDC 2236498: Experimental Crystal Structure Determination

description: Related Article: Hua Zhang, Zhe-Kun Xu, Zhong-Xia Wang, Hang Yu, Hui-Peng Lv, Peng-Fei Li, Wei-Qiang Liao, Ren-Gen Xiong|2023|J.Am.Chem.Soc.|145|4892|doi:10.1021/jacs.3c00646
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.cc2f5tm2
title: CCDC 2239924: Experimental Crystal Structure Determination

description: Related Article: Hua Zhang, Zhe-Kun Xu, Zhong-Xia Wang, Hang Yu, Hui-Peng Lv, Peng-Fei Li, Wei-Qiang Liao, Ren-Gen Xiong|2023|J.Am.Chem.Soc.|145|4892|doi:10.1021/jacs.3c00646
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: 10.5281/zenodo.7451539
title: Air quality data from the article "Typhoon-associated air quality over the Guangdong–Hong Kong–Macao Greater Bay Area, China: machine-learning-based prediction and assessment"

description: This dataset consists of 26 files. The descriptions of the files are as follows: aqi_TY.csv, pm25_TY.csv, pm10_TY.csv, so2_TY.csv, no2_TY.csv and o3_TY.csv are the observed values of AQI and concentrations of PM<sub>2.5</sub>, PM<sub>10</sub>, SO<sub>2</sub>, NO<sub>2</sub> and O<sub>3</sub> of 36 monitoring stations used in model establish stage on TY days. The time range is June 2014 to December 2020. aqi_NTY.csv, pm25_NTY.csv, pm10_NTY.csv, so2_NTY.csv, no2_NTY.csv and o3_NTY.csv are the observed values of AQI and concentrations of PM<sub>2.5</sub>, PM<sub>10</sub>, SO<sub>2</sub>, NO<sub>2</sub> and O<sub>3</sub> of 36 monitoring stations used in model establish stage on NTY days. The time range is June 2014 to December 2020. station_info.csv is the detailed information of the 36 monitoring stations used in model establish stage, including station number, city, longitude and latitude. aqi_TY_testing.csv, pm25_TY_testing.csv, pm10_TY_testing.csv, so2_TY_testing.csv, no2_TY_testing.csv and o3_TY_testing.csv are the observed values of AQI and concentrations of PM<sub>2.5</sub>, PM<sub>10</sub>, SO<sub>2</sub>, NO<sub>2</sub> and O<sub>3</sub> of 3 monitoring stations used for testing the model on TY days. The time range is June 2014 to December 2020. aqi_NTY_testing.csv, pm25_NTY_testing.csv, pm10_NTY_testing.csv, so2_NTY_testing.csv, no2_NTY_testing.csv and o3_NTY_testing.csv are the observed values of AQI and concentrations of PM<sub>2.5</sub>, PM<sub>10</sub>, SO<sub>2</sub>, NO<sub>2</sub> and O<sub>3</sub> of 3 monitoring stations used for testing the model on NTY days. The time range is June 2014 to December 2020. sta_testing.csv is the detailed information of the 3 monitoring stations used for testing the model, including station number, city, longitude and latitude.
DOI: 10.5281/zenodo.6945343
title: Air quality data from the article "Typhoon-associated air quality over the Guangdong–Hong Kong–Macao Greater Bay Area, China: machine-learning-based prediction and assessment"

description: This dataset consists of 26 files. The descriptions of the files are as follows: aqi_TY.csv, pm25_TY.csv, pm10_TY.csv, so2_TY.csv, no2_TY.csv and o3_TY.csv are the observed values of AQI and concentrations of PM<sub>2.5</sub>, PM<sub>10</sub>, SO<sub>2</sub>, NO<sub>2</sub> and O<sub>3</sub> of 36 monitoring stations used in model establish stage on TY days. The time range is June 2014 to December 2020. aqi_NTY.csv, pm25_NTY.csv, pm10_NTY.csv, so2_NTY.csv, no2_NTY.csv and o3_NTY.csv are the observed values of AQI and concentrations of PM<sub>2.5</sub>, PM<sub>10</sub>, SO<sub>2</sub>, NO<sub>2</sub> and O<sub>3</sub> of 36 monitoring stations used in model establish stage on NTY days. The time range is June 2014 to December 2020. station_info.csv is the detailed information of the 36 monitoring stations used in model establish stage, including station number, city, longitude and latitude. aqi_TY_testing.csv, pm25_TY_testing.csv, pm10_TY_testing.csv, so2_TY_testing.csv, no2_TY_testing.csv and o3_TY_testing.csv are the observed values of AQI and concentrations of PM<sub>2.5</sub>, PM<sub>10</sub>, SO<sub>2</sub>, NO<sub>2</sub> and O<sub>3</sub> of 3 monitoring stations used for testing the model on TY days. The time range is June 2014 to December 2020. aqi_NTY_testing.csv, pm25_NTY_testing.csv, pm10_NTY_testing.csv, so2_NTY_testing.csv, no2_NTY_testing.csv and o3_NTY_testing.csv are the observed values of AQI and concentrations of PM<sub>2.5</sub>, PM<sub>10</sub>, SO<sub>2</sub>, NO<sub>2</sub> and O<sub>3</sub> of 3 monitoring stations used for testing the model on NTY days. The time range is June 2014 to December 2020. sta_testing.csv is the detailed information of the 3 monitoring stations used for testing the model, including station number, city, longitude and latitude.
DOI: 10.34740/kaggle/dsv/5102162
title: W.T.F. (What's The Font)?
DOI: 10.5281/zenodo.7696121
title: DEEP_RW_TCIE

description: This study proposes a model for estimating the rapid weakening of TC intensity based on deep learning using infrared satellite images and sea surface temperature (DEEP_RW_TCIE). The RW TC data are collected from two publicly available datasets: TCIR and ERA5.The RW sequential TC dataset has 1971 infrared satellite images from TCIR, which we divide into the training set, validation set, and test set according to TC examples. The 1603 satellite images before the 13th case in 2015 were divided into training sets. Moreover, the 196 satellite images from the 13th case to the 20th case in 2015 were divided into the validation set. The remaining 182 were divided into the test set.
DOI: 10.5281/zenodo.7696120
title: DEEP_RW_TCIE

description: This study proposes a model for estimating the rapid weakening of TC intensity based on deep learning using infrared satellite images and sea surface temperature (DEEP_RW_TCIE). The RW TC data are collected from two publicly available datasets: TCIR and ERA5.The RW sequential TC dataset has 1971 infrared satellite images from TCIR, which we divide into the training set, validation set, and test set according to TC examples. The 1603 satellite images before the 13th case in 2015 were divided into training sets. Moreover, the 196 satellite images from the 13th case to the 20th case in 2015 were divided into the validation set. The remaining 182 were divided into the test set.
DOI: 10.3886/e120907v3-133320
title: National Neighborhood Data Archive (NaNDA): Health Care Services by Census Tract, United States, 2003-2017

description: This dataset describes the number and density of health care services in each census tract in the United States. The data includes counts, per capita densities, and area densities per tract for many types of businesses in the health care sector, including doctors, dentists, mental health providers, nursing homes, and pharmacies.
description: Health care services in all census tracts in the United States, including Puerto Rico and the US Virgin Islands. Smallest Geographic Unit: census tract
DOI: 10.6084/m9.figshare.22214227
title: Raw data Spectrophotometer (Figure 3)

description: Raw data for calculating UV VIS Spectrophotometer (Figure 3)
DOI: 10.6084/m9.figshare.22214233
title: P. indsii_ITS_clade6_Final.fasta

description: phylogenetic analyses result
DOI: 10.6084/m9.figshare.22214233.v1
title: P. indsii_ITS_clade6_Final.fasta

description: phylogenetic analyses result
DOI: 10.6084/m9.figshare.22214251
title: P. indsii_ITS_clade6_Final.fasta

description: phylogenetic analyses results
DOI: 10.6084/m9.figshare.22214251.v1
title: P. indsii_ITS_clade6_Final.fasta

description: phylogenetic analyses results
DOI: 10.6084/m9.figshare.22214239
title: Raw data FTIR (Figure 6)

description: Raw data FTIR (Figure 6)
DOI: 10.6084/m9.figshare.22214257
title: Raw data XRD (Figure 5)

description: Raw data XRD (Figure 5)
DOI: 10.6084/m9.figshare.22214266
title: Raw data GCMS (Table 1 and Figure 7)

description: Raw data to support Table 1 and Figure 7
DOI: 10.6084/m9.figshare.22214263
title: P.hindsii_Btub_clade6_Final.fasta

description: phylogenetic analysis result
DOI: 10.6084/m9.figshare.22214263.v1
title: P.hindsii_Btub_clade6_Final.fasta

description: phylogenetic analysis result
DOI: 10.5281/zenodo.7697479
title: Structural characterization of the protein-material interfacial interactions by using lysine reactivity profiling-mass spectrometry

description: The exploration of interfacial molecular interactions of protein-material integrations and how material modulate the protein structure and activity are essential to the safety evaluation of biomedical micro/nanomaterials, toxicity estimation and design of nano-drugs, and catalytic activity improvement of bio-inorganic functional hybrids. However, characterizing the interfacial molecular details of protein-micro/nanomaterial hybrids remains a great challenge. Herein, we introduce the protocol of lysine reactivity profiling-mass spectrometry (LRP-MS) strategy for probing the interfacial molecular structures between proteins and micro/nanomaterials. LRP-MS utilizes lysine residues as the endogenous probes to characterize the protein localization orientation, interaction sequence regions, binding sites, and modulated protein structures in the protein-material hybrids, which cannot be achieved by traditional spectroscopy methods. We describe the optimized heavy and light two-step isotope dimethyl labeling strategy for protein-material hybrids under their native and denaturing conditions in sequence. The comparative quantification results of lysine reactivity (referred as NLE) are only dependent on the native microenvironments of lysine local structures. We also highlight other critical steps including protein digestion, elution from materials, data processing, and interfacial structure analysis. The two-step isotope labeling steps need about 5 h, and the whole protocol including digestion, liquid chromatography-tandem mass spectrometry, data processing, and structure analysis needs about 3-5 days.
DOI: 10.5281/zenodo.7697478
title: Structural characterization of the protein-material interfacial interactions by using lysine reactivity profiling-mass spectrometry

description: The exploration of interfacial molecular interactions of protein-material integrations and how material modulate the protein structure and activity are essential to the safety evaluation of biomedical micro/nanomaterials, toxicity estimation and design of nano-drugs, and catalytic activity improvement of bio-inorganic functional hybrids. However, characterizing the interfacial molecular details of protein-micro/nanomaterial hybrids remains a great challenge. Herein, we introduce the protocol of lysine reactivity profiling-mass spectrometry (LRP-MS) strategy for probing the interfacial molecular structures between proteins and micro/nanomaterials. LRP-MS utilizes lysine residues as the endogenous probes to characterize the protein localization orientation, interaction sequence regions, binding sites, and modulated protein structures in the protein-material hybrids, which cannot be achieved by traditional spectroscopy methods. We describe the optimized heavy and light two-step isotope dimethyl labeling strategy for protein-material hybrids under their native and denaturing conditions in sequence. The comparative quantification results of lysine reactivity (referred as NLE) are only dependent on the native microenvironments of lysine local structures. We also highlight other critical steps including protein digestion, elution from materials, data processing, and interfacial structure analysis. The two-step isotope labeling steps need about 5 h, and the whole protocol including digestion, liquid chromatography-tandem mass spectrometry, data processing, and structure analysis needs about 3-5 days.
DOI: 10.6084/m9.figshare.22214275
title: P.hindsii_cox_clade6_Final_Edited2.fasta

description: Phylogenetic analysis results
DOI: 10.6084/m9.figshare.22214275.v1
title: P.hindsii_cox_clade6_Final_Edited2.fasta

description: Phylogenetic analysis results
DOI: 10.6084/m9.figshare.22214281
title: Tables

description: Table 1. Bioactive compounds in AgNPs-Fd biosynthesized using <em>F. deltoidea</em> ethanolic leaves extract. <br> Table 2. Anti-angiogenic activity of AgNPs-Fd mediated by <em>F. deltoidea</em> on the chorioallantoic membrane (CAM) of chicken embryos
DOI: 10.6084/m9.figshare.22214281.v1
title: Tables

description: Table 1. Bioactive compounds in AgNPs-Fd biosynthesized using <em>F. deltoidea</em> ethanolic leaves extract. <br> Table 2. Anti-angiogenic activity of AgNPs-Fd mediated by <em>F. deltoidea</em> on the chorioallantoic membrane (CAM) of chicken embryos
DOI: 10.6084/m9.figshare.22214284
title: Raw data

description: Raw data for the study of anti angiogenic AgNPs
DOI: 10.6084/m9.figshare.22214284.v1
title: Raw data

description: Raw data for the study of anti angiogenic AgNPs
DOI: 10.25505/fiz.icsd.cc2fcjcq
title: CSD 2245403: Experimental Crystal Structure Determination

description: Related Article: He Xianmeng|2023|ICSD Communication|||
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.3886/e115228v2-133321
title: Tap Water avoidance trends

description: This dataset and do file are for replication of the values in a submitted manuscript assessing the trends in tap water avoidance in US kids from 2007-2016
DOI: 10.6084/m9.figshare.22207882
title: 4D-MGA_2005_2020.nc

description: The dataset is a weekly gridded Argo dataset in the Northwest Pacific Ocean created by the four-dimensional space-time multigrid analysis method. The gridded Argo product can be accessed from figshare in the form of NetCDF. The land point is assigned as NaN. The fields are as follows: 1.longitude: longitudes for T and S 2.latitude: latitudes for T and S 3.depth: depths for T and S 4.time: the passed days relative to January 1, 2005 5.TEMP: temperature of corresponding point 6.SALT: salinity of corresponding point
DOI: 10.6084/m9.figshare.22207882.v12
title: 4D-MGA_2005_2020.nc

description: The dataset is a weekly gridded Argo dataset in the Northwest Pacific Ocean created by the four-dimensional space-time multigrid analysis method. The gridded Argo product can be accessed from figshare in the form of NetCDF. The land point is assigned as NaN. The fields are as follows: 1.longitude: longitudes for T and S 2.latitude: latitudes for T and S 3.depth: depths for T and S 4.time: the passed days relative to January 1, 2005 5.TEMP: temperature of corresponding point 6.SALT: salinity of corresponding point
DOI: 10.6084/m9.figshare.22214338
title: Quantifying the Human Cost of Global Warming (Data and Scripts)

description: The costs of climate change are often estimated in monetary terms but this raises ethical issues. Here we express them in terms of numbers of people left outside the ‘human climate niche’ – defined as the historically highly-conserved distribution of relative human population density with respect to mean annual temperature (MAT). We show that climate change has already put ~9% of people (&gt;600 million) outside this niche. By end-of-century (2080-2100), current policies leading to around 2.7 °C global warming could leave one 22 third (22-39%) of people outside the niche. Reducing global warming from 2.7 to 1.5 °C results in a ~5-fold decrease in the population exposed to unprecedented heat (MAT ≥29 °C). The lifetime emissions of ~3.5 global average citizens today (or ~1.2 average US citizens) expose 1 future person to unprecedented heat by end-of-century. That person comes from a place where emissions today are around half of the global average. These results highlight the need for more decisive policy action to limit the human costs and inequities of climate change.
DOI: 10.5281/zenodo.7697792
title: Data for Bird et al 2023 Coyotes

description: Microsatellite genotype data for article "An illusion of barriers to gene flow in suburban coyotes (<em>Canis latrans</em>): Spatial and temporal population structure across a fragmented landscape in southern California"
DOI: 10.5281/zenodo.7697791
title: Data for Bird et al 2023 Coyotes

description: Microsatellite genotype data for article "An illusion of barriers to gene flow in suburban coyotes (<em>Canis latrans</em>): Spatial and temporal population structure across a fragmented landscape in southern California"
DOI: 10.34740/kaggle/dsv/5103278
title: Contrastive Language Image Pretraining by openai
DOI: 10.34740/kaggle/dsv/5103324
title: Elon Musk Tweets
DOI: 10.21227/zyy7-y939
title:  ITB Frontal Profile Limited Dataset (IFPLD)

description: Open set face recognition on a small dataset, in terms of the amount of image samples per individual, is a hard and active area of study. This study investigates the open set face verification and face identification problems on the IFPLD dataset, which consists of only one frontal and one profile image per individual.
DOI: 10.15151/esrf-es-1024538741
title: Structure of metalloproteins, membrane proteins, filamentous sarcomer proteins, and virus particles

description: Our work focusses on biological nitrogen fixation by Nitrogenase, on metalloenzymes and integral membrane proteins of bacterial and archaeal respiratory systems (Andrade/Einsle/Wohlwend), the working mechanism and regulation of medically relevant membrane proteins and complexes and their defects leading to pathologies (Hunte), bacterial antibiotic resistance factors and viral and bacterial proteins bound to their targets or inhibitors, and their interactions with glycans (Stehle), human S100 proteins involved in nutritional immunity, USP18 enforcing the endogenous antiviral interferon response, and the respiratory complex NQR of V. cholerae (Fritz), LDL lipoprotein particles with low resolution data collection and phasing to find envelopes of parts of membrane proteins escaping conventional methods (Baumstark/Lunin), and on multi-domain components of the sarcomeric filamentous protein titin and their binding to the E3 ubiquitin ligase MuRF1 and the central myosin rod-domain (Mayans).
DOI: 10.15151/esrf-es-1096960093
title: SAARLAND BAG: ATOMIC MECHANISMS OF ACTION OF MEMBRANE PROTEINS AND BIOSYNTHETIC ENZYMES

description: Projects are focussed primarily within the framework of the DFG-funded excellence network program in Homburg (Saar) on "Ca2+signals: Molecular Mechanisms und Integrative Functions" at Saarland University and a new joint multidisciplinary initiative of the University with the Helmholtz Institute of Pharmaceutical Research Saarland in Saarbrücken on natural bioactive compounds including their interactions with their target proteins. These projects involve the structure determination of membrane proteins and soluble proteins.
DOI: 10.15151/esrf-es-1058010584
title: Cryo-trapping intermediate states in the CarH photoreceptor

description: CarH is a vitamin B12-dependent photoreceptor protein that binds to operator DNA in a tetrameric complex to inhibit gene expression. The tetramer is stable in dark conditions, while exposure to light induces tetramer dissolution and dissociation from DNA, thus allowing gene expression. The suppressed gene controls the biosynthesis of carotenoids that protects bacteria from excess of sunlight (Jost et al., 2015). CarH’s dissociation mechanism has been studied by time-resolved transient absorption spectroscopy. Two photoreaction pathways have been proposed, providing insight into a number of intermediates formed during the dissociation process (Kutta et al., 2015 ; Miller et al., 2020). In both mechanisms the cobalt (Co) atom contained in the corrin of the B12 moiety plays the most important role by sensing light. Co’s redox photodynamics involves the transient formation of intermediate states that result in CarH tetramer dissociation.
DOI: 10.15151/esrf-es-1014664973
title: Multi-scale Multi-techniques investigations of Li-ion batteries: towards a European Battery Hub

description: In this science-driven Long-Term proposal, we propose a 3-years multi-beamline program tackling grand challenges for actual, emerging and future battery technologies. We will deploy advanced methodologies for accelerating research by setting new cooperation modes for multi-techniques multi-scale studies. Three chemistry-neutral scientific cases have been identified to fulfil this LTP: bulk-to-surface mechanisms, high energy system and smart sensing. Multiple, time-coordinated, interoperable spectroscopic, imaging & scattering techniques will be implemented. This proposal is the Pilot Phase towards a European Battery Hub aiming at accelerating workflows in battery research by optimizing the exceptional diversity of means available at ESRF. We expect to demonstrate the added value of a new “proposal” mechanism, e.g. science-driven beamtime allocation group, serving the fast growing, highly competitive and rapidly evolving European battery community.
DOI: 10.15151/esrf-es-1066655534
title: The fundamental interaction between localised X-ray pulses and electronic devices at the nanoscale: development of a tailored facility for a
DOI: 10.6084/m9.figshare.22214399
title: Selection of desirable characters for papaya genetic improvement programs associated with hydric and thermal stress

description: ABSTRACT Papaya cultivation is widespread in Brazil, particularly in the states of Bahia and Espírito Santo, where most commercial plantations are concentrated. Owing to the economic and social importance of papaya, the present study aimed to determine the explanatory variables between the genotypes of two cultivars: Golden (from the Soil group) and Tainung Nº 1 hybrid (from the Formosa group), cultivated under high temperatures and hydric stress. The genotypes containing more desirable agronomic characteristics were identified for use in plant genetic improvement programs. Principal component analysis (PCA) was applied to select the desirable genotypes for Golden and Tainung Nº 1 cultivars based on specific variables analyzed for two groups of variables; for group 1, the plant height, stem diameter, leaf length, leaf width, and leaf number were analyzed, whereas for group 2, the leaf and root dry mass, stem dry mass and fresh mass of 10 discs, fresh mass, and stem and root fresh mass were analyzed. When exposed to hydric and thermal stress, the Tainung Nº 1 cultivar outperformed the Golden cultivar for the evaluation characteristics selected for use in genetic improvement programs.