cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.17257303.v2
title: Development and Validation of a HS-SPME-GC-SIM-MS Multi-Method Targeting Hop-Derived Esters in Beer

description: Hop-derived esters contribute to beer flavor and changes in the ester spectrum are believed to be an important driver in the flavor–instability of hoppy beers. To date, there exists no published method that enables reliable quantification of hop-derived esters in beer. As the availability of such a method is vital to enlarge the understanding of beer flavor stability, the current article is concerned with the development, validation, and application of a headspace solid phase microextraction gas chromatography selected ion monitoring mass spectrometry (HS-SPME-GC-SIM-MS) based methodology for quantification of 16 hop-derived esters in beer. The validation data shows that choosing suitable HS-SPME-GC-SIM-MS conditions enabled reliable quantification of esters across a range of 1–200 µg/L, with calculated limits of quantification being well below 1 µg/L. Spiking experiments using terpenes and terpenoids evidenced method robustness, most importantly when two commercially available stable isotope labeled internal standards (d<sub>6</sub>-geranyl acetate and <sup>13</sup>C-methyl octanoate) were used. Application to beer samples indicated that beers brewed with different qualities/quantities of hops and differing in freshness could be well differentiated by HS-SPME-GC-SIM-MS analysis of their ester profile. Supplemental data for this article is available online at at https://doi.org/10.1080/03610470.2021.1994814 .
DOI: 10.6084/m9.figshare.17257303
title: Development and Validation of a HS-SPME-GC-SIM-MS Multi-Method Targeting Hop-Derived Esters in Beer

description: Hop-derived esters contribute to beer flavor and changes in the ester spectrum are believed to be an important driver in the flavor–instability of hoppy beers. To date, there exists no published method that enables reliable quantification of hop-derived esters in beer. As the availability of such a method is vital to enlarge the understanding of beer flavor stability, the current article is concerned with the development, validation, and application of a headspace solid phase microextraction gas chromatography selected ion monitoring mass spectrometry (HS-SPME-GC-SIM-MS) based methodology for quantification of 16 hop-derived esters in beer. The validation data shows that choosing suitable HS-SPME-GC-SIM-MS conditions enabled reliable quantification of esters across a range of 1–200 µg/L, with calculated limits of quantification being well below 1 µg/L. Spiking experiments using terpenes and terpenoids evidenced method robustness, most importantly when two commercially available stable isotope labeled internal standards (d<sub>6</sub>-geranyl acetate and <sup>13</sup>C-methyl octanoate) were used. Application to beer samples indicated that beers brewed with different qualities/quantities of hops and differing in freshness could be well differentiated by HS-SPME-GC-SIM-MS analysis of their ester profile. Supplemental data for this article is available online at at https://doi.org/10.1080/03610470.2021.1994814 .
DOI: 10.6084/m9.figshare.17257303.v1
title: Development and Validation of a HS-SPME-GC-SIM-MS Multi-Method Targeting Hop-Derived Esters in Beer

description: Hop-derived esters contribute to beer flavor and changes in the ester spectrum are believed to be an important driver in the flavor–instability of hoppy beers. To date, there exists no published method that enables reliable quantification of hop-derived esters in beer. As the availability of such a method is vital to enlarge the understanding of beer flavor stability, the current article is concerned with the development, validation, and application of a application of a headspace solid phase microextraction gas chromatography selected ion monitoring mass spectrometry (HS-SPME-GC-SIM-MS) methodology based methodology for quantification of 16 hop-derived esters in beer. The validation data shows that choosing suitable HS-SPME-GC-SIM-MS conditions enabled reliable quantification of esters across a range of 1–200 µg/L, with calculated limits of quantification being well below 1 µg/L. Spiking experiments using terpenes and terpenoids evidenced method robustness, most importantly when two commercially available stable isotope labeled internal standards (geranyl acetate and <sup>13</sup>C-methyl octanoate) were used. Application to beer samples indicated that beers brewed with different qualities/quantities of hops and differing in freshness could be well differentiated by HS-SPME-GC-SIM-MS analysis of their ester profile. Supplemental data for this article is available online at at https://doi.org/10.1080/03610470.2021.1994814 .
DOI: 10.6084/m9.figshare.17855291
title: Volatile Profile Survey of Five Apple Varieties Grown in Southwest Colorado from Juice to Finished, Dry-Hopped Cider

description: The volatile organic compounds (VOCs) produced during cider fermentation, maturation, and dry hopping greatly impact enjoyment of the final product. To investigate the effect of apple variety on VOC development in cider, five apple varieties were picked from two orchards in southwest Colorado. Each apple variety was juiced, fermented with Lalvin QA23 <i>Saccharomyces cerevisiae</i>, dry-hopped with Citra hops, and analyzed separately alongside non-dry hopped controls. The aroma attributes of these historical southwest Colorado apples have never been explored, and few studies have chemically profiled the aromas of dry-hopped cider. A total of 73 VOCs were identified using headspace-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) from fruit juice to cider. Ethyl esters, acetate esters, higher alcohols, and terpenes were the major aroma contributors observed in dry-hopped cider. The identity and concentrations of VOCs varied greatly between apple varieties, with only 24 common VOCs detected in all samples studied. This indicates the importance of apple variety choice in tuning the aroma profile of the finished cider. This method can be used to more effectively evaluate orchard or cider production treatments on cider quality. This case study also provides practical information for cider makers seeking to improve the quality of their products through consideration of fruit variety and dry hopping. Supplemental data for this article is available online at https://doi.org/10.1080/03610470.2021.2013645 .
DOI: 10.6084/m9.figshare.17855291.v1
title: Volatile Profile Survey of Five Apple Varieties Grown in Southwest Colorado from Juice to Finished, Dry-Hopped Cider

description: The volatile organic compounds (VOCs) produced during cider fermentation, maturation, and dry hopping greatly impact enjoyment of the final product. To investigate the effect of apple variety on VOC development in cider, five apple varieties were picked from two orchards in southwest Colorado. Each apple variety was juiced, fermented with Lalvin QA23 <i>Saccharomyces cerevisiae</i>, dry-hopped with Citra hops, and analyzed separately alongside non-dry hopped controls. The aroma attributes of these historical southwest Colorado apples have never been explored, and few studies have chemically profiled the aromas of dry-hopped cider. A total of 73 VOCs were identified using headspace-solid phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) from fruit juice to cider. Ethyl esters, acetate esters, higher alcohols, and terpenes were the major aroma contributors observed in dry-hopped cider. The identity and concentrations of VOCs varied greatly between apple varieties, with only 24 common VOCs detected in all samples studied. This indicates the importance of apple variety choice in tuning the aroma profile of the finished cider. This method can be used to more effectively evaluate orchard or cider production treatments on cider quality. This case study also provides practical information for cider makers seeking to improve the quality of their products through consideration of fruit variety and dry hopping. Supplemental data for this article is available online at https://doi.org/10.1080/03610470.2021.2013645 .
DOI: 10.5281/zenodo.7516742
title: Appendices of the work "On the perceived relevance of critical internal quality attributes when evolving software features"

description: Several refactorings performed while evolving software features aim to improve internal quality attributes like cohesion and complexity. Studies show that non-assisted refactorings might worsen, not improve, internal attributes. Current knowledge is scarce on how developers perceive the relevance of critical internal attributes while evolving features. Internal attributes are critical if their measurement assumes anomalous values. This qualitative study investigates the developer's perception on the relevance of critical internal attributes when evolving features. We target six class-level critical attributes: low cohesion, high complexity, high coupling, large hierarchy depth, large hierarchy breadth, and large size. We performed two industry case studies based on online focus group sessions. Developers discussed how much (and why) critical attributes are relevant for adding or enhancing features. We assessed the relevance of critical attributes individually and relatively, reasons behind the relevance of each critical attribute, and interrelations of critical attributes. Low cohesion and high complexity were perceived as very relevant because they often make evolving features hard while tracking failures and adding features. The other critical attributes were perceived as less relevant when reusing code or adopting design patterns. An example of perceived interrelation is high complexity leading to high coupling.
DOI: 10.5281/zenodo.7516741
title: Appendices of the work "On the perceived relevance of critical internal quality attributes when evolving software features"

description: Several refactorings performed while evolving software features aim to improve internal quality attributes like cohesion and complexity. Studies show that non-assisted refactorings might worsen, not improve, internal attributes. Current knowledge is scarce on how developers perceive the relevance of critical internal attributes while evolving features. Internal attributes are critical if their measurement assumes anomalous values. This qualitative study investigates the developer's perception on the relevance of critical internal attributes when evolving features. We target six class-level critical attributes: low cohesion, high complexity, high coupling, large hierarchy depth, large hierarchy breadth, and large size. We performed two industry case studies based on online focus group sessions. Developers discussed how much (and why) critical attributes are relevant for adding or enhancing features. We assessed the relevance of critical attributes individually and relatively, reasons behind the relevance of each critical attribute, and interrelations of critical attributes. Low cohesion and high complexity were perceived as very relevant because they often make evolving features hard while tracking failures and adding features. The other critical attributes were perceived as less relevant when reusing code or adopting design patterns. An example of perceived interrelation is high complexity leading to high coupling.
DOI: 10.23645/epacomptox.20394501.v3
title: ToxValDB v9.2

description: This resource is a compilation of information sourced from many sites, databases and sources, including U.S. Federal and state sources and international bodies, which can save the user time by providing information in one location. The data are not reviewed by USEPA – the user must apply judgment in use of the information. You should consult the original scientific paper or data source if possible to ensure an understanding of the context of the data contained in the Dashboard. <br> Science Inventory, CCTE products: https://cfpub.epa.gov/si/si_public_search_results.cfm?advSearch=true&showCriteria=2&keyword=CCTE&TIMSType=&TIMSSubTypeID=&epaNumber=&ombCat=Any&dateBeginPublishedPresented=07/01/2017&dateEndPublishedPresented=&dateBeginUpdated=&dateEndUpdated=&DEID=&personName=&personID=&role=Any&journalName=&journalID=&publisherName=&publisherID=&sortBy=pubDate&count=25
DOI: 10.5517/ccdc.csd.cc27jlzc
title: CCDC 2071543: Experimental Crystal Structure Determination

description: Related Article: Liuyuan Han, Qian Wu, Longfei Lei, Jinghang Chen, Ni Xue|2022|Heliyon|8|e12528|doi:10.1016/j.heliyon.2022.e12528
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.cc27jm0f
title: CCDC 2071544: Experimental Crystal Structure Determination

description: Related Article: Liuyuan Han, Qian Wu, Longfei Lei, Jinghang Chen, Ni Xue|2022|Heliyon|8|e12528|doi:10.1016/j.heliyon.2022.e12528
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.cc29k568
title: CCDC 2131659: Experimental Crystal Structure Determination

description: Related Article: M. Sithambaresan, M. R. Prathapachandra Kurup, Goncagül Serdaroğlu, Savaş Kaya|2023|J.Mol.Struct.|1277|134866|doi:10.1016/j.molstruc.2022.134866
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: 10.13012/b2idb-4450613_v1
title: Estimating ability to detect secretive marsh birds over distance using autonomous recording units
DOI: 10.13012/b2idb-3611582_v1
title: Data for Changes in predator biomass may mask the negative effects of neonicotinoids on primary consumers in field settings

description: The effect of pesticide contamination on arthropod biomass and diversity in simulated prairie restorations depended on arthropod feeding guild (e.g., predator, herbivore, or pollinator). The pesticides used in this study were the neonicotinoid insecticide clothianidin and the phthalimide fungicide captan. This dataset includes two data files. The first contains information about the study sites ("plots") and pesticide treatments. The second contains information about arthropod biomass and morphospecies richness separated by feeding guild for each month-plot combination. R code in an R Markdown file for the analysis and data presentation in the associated publication is also provided. Detected effects included: predator biomass was 66% lower in plots treated with clothianidin, and this effect persisted across the growing season; the impact on herbivore biomass appeared to be inconsistent, with biomass being 51% lower with clothianidin in June but no detected difference in July or August; herbivore morphospecies richness was 12% lower in plots treated with both clothianidin and captain; pollinators appeared to be unaffected by clothianidin; and pollinator biomass increased by 71% when captan was applied to a plot.
DOI: 10.5281/zenodo.7516756
title: PPORTAL

description: PPORTAL
DOI: 10.5281/zenodo.7516755
title: PPORTAL

description: PPORTAL
DOI: 10.6084/m9.figshare.21816429
title: Diversity metrics_Lizards_Brasileiro_2023

description: Diversity metrics for lizard communities in different vegetation types in the Caatinga domain associated with changes in native vegetation regeneration stage and agricultural land use
DOI: 10.6084/m9.figshare.21816429.v2
title: Diversity metrics_Lizards_Brasileiro_2023

description: Diversity metrics for lizard communities in different vegetation types in the Caatinga domain associated with changes in native vegetation regeneration stage and agricultural land use
DOI: 10.6084/m9.figshare.21816429.v1
title: Diversity metrics_Lizards_Brasileiro_2023

description: Diversity metrics for lizard communities in different vegetation types in the Caatinga domain associated with changes in native vegetation regeneration stage and agricultural land use
DOI: 10.34740/kaggle/dsv/4830567
title: BBC News
DOI: 10.6084/m9.figshare.21816417
title: Lizards composition_PNU_Humid Forest_Brasileiro_2023

description: Diversity of lizards found in Ubajara National Park and surrounding areas in Relictual Humid Forest areas in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816417.v2
title: Lizards composition_PNU_Humid Forest_Brasileiro_2023

description: Diversity of lizards found in Ubajara National Park and surrounding areas in Relictual Humid Forest areas in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816417.v1
title: Lizards composition_PNU_Humid Forest_Brasileiro_2023

description: Diversity of lizards found in Ubajara National Park and surrounding areas in Relictual Humid Forest areas in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816390
title: Lizards composition_AES_Brasileiro_2023

description: Diversity of lizards found in the Aiuaba Ecological Station and surrounding areas in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816390.v2
title: Lizards composition_AES_Brasileiro_2023

description: Diversity of lizards found in the Aiuaba Ecological Station and surrounding areas in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816390.v1
title: Lizards composition_AES_Brasileiro_2023

description: Diversity of lizards found in the Aiuaba Ecological Station and surrounding areas in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816366
title: Lizards_composition_PNU_Caatinga_Brasileiro_2023

description: Diversity of lizards found in the Ubajara National Park and surrounding areas in a Caatinga area in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816366.v1
title: Lizards_composition_PNU_Caatinga_Brasileiro_2023

description: Diversity of lizards found in the Ubajara National Park and surrounding areas in a Caatinga area in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816366.v2
title: Lizards_composition_PNU_Caatinga_Brasileiro_2023

description: Diversity of lizards found in the Ubajara National Park and surrounding areas in a Caatinga area in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816360
title: Lizards composition_SCNP_Brasileiro 2023

description: Diversity of lizards found in the Sete Cidades National Park and surrounding areas in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816360.v2
title: Lizards composition_SCNP_Brasileiro 2023

description: Diversity of lizards found in the Sete Cidades National Park and surrounding areas in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.6084/m9.figshare.21816360.v1
title: Lizards composition_SCNP_Brasileiro 2023

description: Diversity of lizards found in the Sete Cidades National Park and surrounding areas in different stages of regeneration of native vegetation and agricultural areas
DOI: 10.13012/b2idb-0382919_v1
title: Effect of Micro-patterned Mucin on Quinolone and Rhamnolipid Profiles of Mucoid Pseudomonas aeruginosa under Antibiotic Stress

description: #### Details of Pseudomonas aeruginosa biofilm dataset #### ----------------*Folder Structure*------------------------------------- This dataset contains peak intensity tables extracted from mass spectrometry imaging (MSI) data using tools, SCiLS and MSI reader. There are 2 folders in "MSI-Data-Paeruginosa-biofilms-UIUC-DP-JVS-July2022.zip", each folder contains 3 sub-folders as listed below. 1. PellicleBiofilms-and-Supernatant [Pellicle biofilms collected from air-liquid interface and spend supernatant medium after 96 h incubation period]: (1) Full-Scan-Data-96h; (2) MSMS-data-from-C7-Quinolones-96h; and (3) MSMS-data-from-C9-Quinolones-96h 2. StaticBiofilms [Static biofilms grown on mucin surface]: (1) Full-Scan-Data; (2) MSMS-data-from-C7-Quinolones; and (3) MSMS-data-from-C9-Quinolones ----------------*File name*---------------------------------------------- Sample information is included in the file names for easy identification and processing. Attributes covered in file names are explained in the example below. *Example file name "Rep1-Stat-FRD1-mPat-48-FS"* ~ Each unit of information is separated by "-" ~Unit 1 - "Rep1" - Biological replicate ( Rep1, Rep2, and Rep3) ~Unit 2 - "Stat" - Sample type (Stat = Static Biofilm, Pel = Pellicle biofilm, Sup = Supernatant) ~Unit 3 - "FRD1" - Strain (FRD1 = Mucoid strain, PAO1C = Non-mucoid strain) ~Unit 4 - "mPat" - Type of mucin surface used (mPat = patterned mucin surface, mUni = uniform mucin surface) ~Unit 5 - "48" - Sample time point (hours = 48, 72, 96) ~Unit 6 - "FS" - Scan type used in MSI (FS = high resolution full-scan, 260 = targeted MS/MS of C7 quinolones (m/z 260), 288 = targeted MS/MS of C9 quinolones (m/z 288)) ----------------*File structure*------------------------------------------ All MSI data has been exported to CSV format. Each CSV files contains information about scan number, Coordinates (x,y,z), m/z values, extraction window (absolute), and corresponding intensities in the form of a matrix. ----------------*End of Information*--------------------------------------
DOI: 10.34740/kaggle/dsv/4830596
title: Polish-Ukrainian translations from Tatoeba
DOI: 10.5281/zenodo.7516904
title: Appendices of the work "On the perceived relevance of critical internal quality attributes when evolving software features"

description: Several refactorings performed while evolving software features aim to improve internal quality attributes like cohesion and complexity. Studies show that non-assisted refactorings might worsen, not improve, internal attributes. Current knowledge is scarce on how developers perceive the relevance of critical internal attributes while evolving features. Internal attributes are critical if their measurement assumes anomalous values. This qualitative study investigates the developer's perception on the relevance of critical internal attributes when evolving features. We target six class-level critical attributes: low cohesion, high complexity, high coupling, large hierarchy depth, large hierarchy breadth, and large size. We performed two industry case studies based on online focus group sessions. Developers discussed how much (and why) critical attributes are relevant for adding or enhancing features. We assessed the relevance of critical attributes individually and relatively, reasons behind the relevance of each critical attribute, and interrelations of critical attributes. Low cohesion and high complexity were perceived as very relevant because they often make evolving features hard while tracking failures and adding features. The other critical attributes were perceived as less relevant when reusing code or adopting design patterns. An example of perceived interrelation is high complexity leading to high coupling.