cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc1k2zm7
title: CCDC 1432839: Experimental Crystal Structure Determination

description: Related Article: Franz Ölscher,  Inigo Göttker-Schnetmann,  Vincent Monteil,  and Stefan Mecking|2015|J.Am.Chem.Soc.|137|14819|doi:10.1021/jacs.5b08612
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/cc1jlvkj
title: CCDC 1418298: Experimental Crystal Structure Determination

description: Related Article: Andrew C. Behrle,  Ludovic Castro,  Laurent Maron,  and Justin R. Walensky|2015|J.Am.Chem.Soc.|137|14846|doi:10.1021/jacs.5b09826
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/cc1jlvlk
title: CCDC 1418299: Experimental Crystal Structure Determination

description: Related Article: Andrew C. Behrle,  Ludovic Castro,  Laurent Maron,  and Justin R. Walensky|2015|J.Am.Chem.Soc.|137|14846|doi:10.1021/jacs.5b09826
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/cc1jlvml
title: CCDC 1418300: Experimental Crystal Structure Determination

description: Related Article: Andrew C. Behrle,  Ludovic Castro,  Laurent Maron,  and Justin R. Walensky|2015|J.Am.Chem.Soc.|137|14846|doi:10.1021/jacs.5b09826
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/cc1kcnxh
title: CCDC 1441187: Experimental Crystal Structure Determination

description: Related Article: Takuya Hashimoto, Alberto Osuna Gálvez, and Keiji Maruoka|2015|J.Am.Chem.Soc.|137|16016|doi:10.1021/jacs.5b11518
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/cc141zdk
title: CCDC 1044588: Experimental Crystal Structure Determination

description: Related Article: Zheng Niu,  Sheng Fang,  Xiao Liu,  Jian-Gong Ma,  Shengqian Ma,  and Peng Cheng|2015|J.Am.Chem.Soc.|137|14873|doi:10.1021/jacs.5b10815
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/cc1kcnyj
title: CCDC 1441188: Experimental Crystal Structure Determination

description: Related Article: Blakely W. Tresca,  Ryan J. Hansen,  Calvin V. Chau,  Benjamin P. Hay,  Lev N. Zakharov,  Michael M. Haley,  and Darren W. Johnson|2015|J.Am.Chem.Soc.|137|14959|doi:10.1021/jacs.5b08767
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/cc141zfl
title: CCDC 1044589: Experimental Crystal Structure Determination

description: Related Article: Zheng Niu,  Sheng Fang,  Xiao Liu,  Jian-Gong Ma,  Shengqian Ma,  and Peng Cheng|2015|J.Am.Chem.Soc.|137|14873|doi:10.1021/jacs.5b10815
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/cc141zgm
title: CCDC 1044590: Experimental Crystal Structure Determination

description: Related Article: Zheng Niu,  Sheng Fang,  Xiao Liu,  Jian-Gong Ma,  Shengqian Ma,  and Peng Cheng|2015|J.Am.Chem.Soc.|137|14873|doi:10.1021/jacs.5b10815
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/cc1kcnzk
title: CCDC 1441189: Experimental Crystal Structure Determination

description: Related Article: Sherzod T. Madrahimov,  Qian Li,  Ankit Sharma,  and John F. Hartwig|2015|J.Am.Chem.Soc.|137|14968|doi:10.1021/jacs.5b08911
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/cc1kcp5s
title: CCDC 1441195: Experimental Crystal Structure Determination

description: Related Article: Ommid Anamimoghadam,  Mark D. Symes,  De-Liang Long,  Stephen Sproules,  Leroy Cronin,  and Götz Bucher|2015|J.Am.Chem.Soc.|137|14944|doi:10.1021/jacs.5b07959
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.cc1kcp4r
title: CCDC 1441194: Experimental Crystal Structure Determination

description: Related Article: Julia I. Nelina-Nemtseva, Anna V. Gulevskaya, Alexander F. Pozharskii, Huong T.L. Nguyen, Ekaterina A. Filatova|2016|Tetrahedron|72|2327|doi:10.1016/j.tet.2016.03.050
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1kcp6t
title: CCDC 1441196: Experimental Crystal Structure Determination

description: Related Article: Ommid Anamimoghadam,  Mark D. Symes,  De-Liang Long,  Stephen Sproules,  Leroy Cronin,  and Götz Bucher|2015|J.Am.Chem.Soc.|137|14944|doi:10.1021/jacs.5b07959
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/cc1kcp7v
title: CCDC 1441197: Experimental Crystal Structure Determination

description: Related Article: Ommid Anamimoghadam,  Mark D. Symes,  De-Liang Long,  Stephen Sproules,  Leroy Cronin,  and Götz Bucher|2015|J.Am.Chem.Soc.|137|14944|doi:10.1021/jacs.5b07959
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/cc1kcp8w
title: CCDC 1441198: Experimental Crystal Structure Determination

description: Related Article: Liangchun Li,  Tsukasa Matsuo,  Daisuke Hashizume,  Hiroyuki Fueno,  Kazuyoshi Tanaka,  and Kohei Tamao|2015|J.Am.Chem.Soc.|137|15026|doi:10.1021/jacs.5b10113
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: 10.15468/dl.7xgpnw
title: Occurrence Download

description: A dataset containing 10988 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is India",
 "TaxonKey is Moringa oleifera"
 ]
}

 The dataset includes 10988 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052933-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25826/data20240725-154557-0
title: Dataset: Tocochromanol composition of nine cold pressed grapeseed oils from the German trade

description: In order to obtain an overview of the composition and quality of commercial German trade grapeseed oils, nine cold-pressed and partly native grapeseed oils were examined with regard to their tocochromanol composition in this data set. The cold-pressed grapeseed oils analyzed included four conventional and five ecological oils. For the determination of tocochromanols, the method was performed according to the DGF standard method-II 4a (00) with slight modifications and an analytical HPLC-FLD system was used. Of the grapeseed oils examined, γ-tocotrienol is the main tocochromanol with a quantity of 94 mg/kg to 171 mg/kg, followed by α-tocotrienol with a proportion of 40 mg/kg to 277 mg/kg, α-tocopherol with 27 mg/kg to 159 mg/kg and γ-tocopherol with 2 mg/kg to 18 mg/kg.
DOI: 10.25826/data20240725-155445-0
title: Dataset: Fatty acid composition of ten cold pressed grapeseed oils from the German trade

description: In order to obtain an overview of the composition and quality of commercial German trade grapeseed oils, ten cold-pressed and partly native grapeseed oils were examined with regard to their fatty acid composition in this data set. The cold-pressed grapeseed oils analyzed included five conventional and five ecological oils. For the determination of fatty acid methyl esters, the method was performed according to some DGF standard methods with slight modifications and an analytical GC-FID system was used. Of the grapeseed oils examined, linoleic acid (C 18:2) is the main fatty acid with a quantity of 66.61 % to 76.80 %, followed by oleic acid (C 18:1) with a proportion of 10.92 % to 19.48 %, palmitic acid (C 16:0) with 6.53 % to 7.36 % and stearic acid (C 18:0) with 3.40 % to 5.02 %.
DOI: 10.25826/data20240722-103348-0
title: Dataset: Triacylglycerol composition of ten cold pressed grapeseed oils from the German trade

description: In order to obtain an overview of the composition and quality of commercial German trade grapeseed oils, ten cold-pressed and partly native grapeseed oils were examined with regard to their triacylglycerol (TAG) composition in this data set. The cold-pressed grapeseed oils analyzed included five conventional and five ecological oils. For the determination of TAGs, the method was performed according to the DGF standard method C-VI 14 (08) with slight modifications and an analytical GC-FID system was used. Of the grapeseed oils examined, trilinolein (LLL) is the main TAG with a quantity of 27.51 % to 41.93 %, followed by dilinoleoyl-oleoylglycerol (LLO) with a proportion of 20.32 % to 23.98 %, palmitoleyl-dilinoleoylglycerol (PLL) with 16.86 % to 21.89 % and palmitoleyl-linoleoyl-oleoylglycerol (PLO) with 6.08 % to 9.84 %.
DOI: 10.5281/zenodo.17427276
title: Datasets 1-5

description: Datasets 1-5.
DOI: 10.5281/zenodo.17427277
title: Datasets 1-5

description: Datasets 1-5.
DOI: 10.25826/data20240621-100704-0
title: Data set for the nutrient characterization of selected milling products from rye, spelt and wheat in Germany

description: This dataset provides detailed information on macronutrients, selected vitamins, minerals and trace elements as well as fatty acids and amino acids on milling products from rye, spelt and wheat. It was created as part of a project to comprehensively update the nutritional information for a variety of milling products of wheat (including bread wheat, spelt and durum) and rye in Germany. In order to be as representative as possible for the entire country, samples were generated with the help of an elaborate sampling plan. Another highlight of this study is also the use of the latest and advanced dietary fiber method AOAC 2011.25. Further details on the experimental setup, sample collection, and applied methodologies can be found in the linked publication. Indication of “n.a.” in the data table indicates that information is either not available or not applicable. These data are intended to serve the scientific community as a basis for evaluating these products and are also available for consumption studies analysis.
DOI: 10.25826/data20240229-152143-0
title: Dataset: Egg authentication using stable isotopes

description: The research data include the results of the stable isotope measurements of the δ13C, δ15N, δ34S values of 180 egg samples (egg albumen) taken from supermarkets in Germany over a period of 15 months between April 2021 and June 2022.
DOI: 10.15468/dl.5uqtgy
title: Occurrence Download

description: A dataset containing 5083 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "PublishingCountry is Canada",
 "Country is Canada"
 ]
 },
 "TaxonKey is one of (Picea mariana [GBIF Backbone Taxonomy])"
 ]
}

 The dataset includes 5083 records from 117 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0052935-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25826/data20230821-143408-0
title: Addition of soluble fiber to standard purified diets is important for gut morphology and microbiome in mice

description: Aim: Purified diets (PD) increase standardization and repeatability in rodent studies, but lead to differences in the phenotype of animals compared to grain-based “chow” diets. PD contain less fiber and are often devoid of soluble fiber, which can impact gut health. Thus, the aim of the present study was to modify the PD AIN93G by addition of soluble fiber, to promote more natural gut development as seen with chow diets. Methods: One hundred twenty male C57BL/6J mice (from Charles River, Sulzfeld, Germany) were randomly assigned to one of five feeding groups, immediately after arrival (24 mice/group, 8 cages/group with 3 mice/cage). They were fed either a chow diet, AIN93G or one of three modified AIN93G with increased fiber content and different ratios of soluble fiber to cellulose for 12 weeks (70% soluble fiber: 30% cellulose [70S], 50% soluble fiber: 50% cellulose [50S] or 30% soluble fiber: 70% cellulose [30S]). As soluble fibers a mixture of inulin and pectin (50:50) was used. During the 12 weeks of intervention, body weight and food intake was assessed four times a week, and feces was collected during week 0, week 5 and week 10. After the intervention gut tissue was collected for histology (HE and AB stains) and gene expression analysis (qPCR). Furthermore, gut content was collected for analysis of microbiota (16s sequencing) and short-chain fatty acids (GC-FID).
DOI: 10.25826/data20230728-105702-0
title: Characterization of silicium dioxide (SiO2) particles in an E 551-containing spice mixture by Scanning Electron Microscopy (SEM) combined with Energy-dispersive X-ray spectroscopy (EDX)

description: Silicon dioxide (SiO2, amorphous silica) is a food additive approved in the EU with defined purity criteria and bears the designation number E 551. In spices and other types of powdered food products, E 551 is mainly used as a separating agent or anti-caking agent. Silicon dioxide as a food additive is under public discussion due to controversial views on the declaration obligation of the substance as an engineered nanomaterial. According to the Food Information Regulation (EU) No. 1169/2011, all food ingredients that are present in a food in the form of engineered nanomaterials must be clearly listed in the list of ingredients. The name of such ingredients must be followed by the word "nano" in brackets. So far, this spice mixture is one of only very few food products on the market with nano-labelled E 551. The food additive is an industrially manufactured material, consisting of amorphous agglomerated and aggregated granules whose particle sizes are mainly in the microscale size range. This dataset contains SEM images showing the morphology of SiO2 aggregates in a commercially available instant meal product containing E 551. In the high magnification images (50.000x - 100.000x) the outline of individual constituent nanoparticles was only partly visible. Basic information about the SEM setup and the sample preparation can be found in the attached txt-file. All in all, the obtained SEM results show, that E551 in this product is present in aggregated form and is deposited on the other food components, fulfilling its purpose as anti-caking agent. Besides SiO2 aggregates also (unwanted) other solid food matrix components were present in the prepared samples. Therefore, qualitative elemental analysis was carried out by energy-dispersive x-ray spectroscopy (EDX) on the food samples in parallel to SEM imaging. Via EDX-mapping, showing the spatial distribution of the target elements (Si and O), the SiO2 particles/aggregates could easily be identified. Corresponding EDX element analysis data for this product (representative example) can be found in the data folder “Spice_mixture_EDX_element_mapping”.
DOI: 10.25826/data20230727-143937-0
title: Characterization of silicium dioxide (SiO2) nanoparticles in E 551-containing instant coffee products by Scanning Electron Microscopy (SEM) combined with Energy-dispersive X-ray spectroscopy (EDX)

description: Silicon dioxide (SiO2, amorphous silica) is a food additive approved in the EU with defined purity criteria and bears the designation number E 551. In coffee instant products and other types of powdered food products, E 551 is mainly used as a separating agent or anti-caking agent. Silicon dioxide as a food additive is under public discussion due to controversial views on the declaration obligation of the substance as an engineered nanomaterial. According to the Food Information Regulation (EU) No. 1169/2011, all food ingredients that are present in a food in the form of engineered nanomaterials must be clearly listed in the list of ingredients. The name of such ingredients must be followed by the word "nano" in brackets. So far, there are only very few E 551-containing foods on the market with nano-labelling of E 551 on the ingredient list. The analysed instant coffee products had no such nano-labelling. The food additive is an industrially manufactured material, consisting of amorphous agglomerated and aggregated granules whose particle sizes are mainly in the microscale size range. However, these aggregates consist of nanoscaled constituent particles (also called “primary particles”). This dataset contains SEM images showing the morphology of SiO2 aggregates in three commercially available instant coffee products containing E 551. In the high magnification images (100.000x) the constituent nanoparticles can be visualised. Basic information about the SEM setup and the sample preparation can be found in the attached txt-file (“Instant coffee_SEM analysis_Equipment_Sample info_Sample preparation.txt”). All in all, the obtained SEM results show, that E 551 in all three instant coffee products is present in aggregated form and is deposited on the other food components, fulfilling its purpose as anti-caking agent. The primary particle sizes of SiO2 particles within the aggregates are in the size range of ca. 30 – 60 nm.
DOI: 10.25826/data20230728-104222-0
title: Characterization of silicium dioxide (SiO2) nanoparticles in E 551-containing icing sugar by Scanning Electron Microscopy (SEM) combined with Energy-dispersive X-ray spectroscopy (EDX)

description: Silicon dioxide (SiO2, amorphous silica) is a food additive approved in the EU with defined purity criteria and bears the designation number E 551. In icing sugar and other types of powdered food products, E 551 is mainly used as a separating agent or anti-caking agent. Silicon dioxide as a food additive is under public discussion due to controversial views on the declaration obligation of the substance as an engineered nanomaterial. According to the Food Information Regulation (EU) No. 1169/2011, all food ingredients that are present in a food in the form of engineered nanomaterials must be clearly listed in the list of ingredients. The name of such ingredients must be followed by the word "nano" in brackets. So far, there are only very few E 551-containing foods on the market with nano-labelling of E 551 on the ingredient list. The analysed icing sugar had no such nano-labelling. The food additive is an industrially manufactured material, consisting of amorphous agglomerated and aggregated granules whose particle sizes are mainly in the microscale size range. However, these aggregates consist of nanoscaled constituent particles (also called “primary particles”). This dataset contains SEM images showing the morphology of SiO2 aggregates in a commercially available icing sugar product containing E 551. In the high magnification images (100.000x) the constituent nanoparticles can be visualised. Basic information about the SEM setup and the sample preparation can be found in the attached txt-file. All in all, the obtained SEM results show, that E 551 in this product is present in aggregated form and is deposited on the other food components, fulfilling its purpose as anti-caking agent. The primary particle sizes of SiO2 particles within the aggregates are in the size range of ca. 22 – 57 nm.
DOI: 10.25826/data20230721-100335-0
title: Dataset from: “A new statistical workflow (R-packages based) to investigate associations between one variable of interest and the metabolome"

description: This dataset contains a part of the underlying research data for the paper: Ferrario PG, Bub A, Frommherz L, Krüger R, Rist MJ, Watzl B. “A new statistical workflow (R-packages based) to investigate associations between one variable of interest and the metabolome". These research data consist in measurements of the participants from the Karlsruhe Metabolomics and Nutrition (KarMeN) Study. Specifically, the data concern Age, BMI and two plasma metabolites: glycoursodeoxycholic acid (GUDCA), and the plasma metabolite decanoic acid (C10:0). GUDCA is a bile acid, and this was quantified by LC-MS (Liquid chromatography-mass spectrometry). C10:0 is a saturated fatty acid, and it was quantified by GC-MS (Gas chromatography-mass spectrometry).