cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.4432942
title: Three‐level hybrid modeling for systematic optimization of biocatalytic synthesis: α‐glucosyl glycerol production by enzymatic trans‐glycosylation from sucrose

description: We provide here the underlying data of the publication "Three‐level hybrid modeling for systematic optimization of biocatalytic synthesis: α‐glucosyl glycerol production by enzymatic trans‐glycosylation from sucrose". Please find the abstract below. Mechanism-based kinetic models are rigorous tools to analyze enzymatic reactions, but their extension to actual conditions of the biocatalytic synthesis can be difficult. Here, we demonstrate (mechanistic-empirical) hybrid modeling for systematic optimization of the sucrose phosphorylase-catalyzed glycosylation of glycerol from sucrose, to synthesize the cosmetic ingredient α-glucosyl glycerol (GG). The empirical model part was developed to capture nonspecific effects of high sucrose concentrations (up to 1.5 M) on microscopic steps of the enzymatic trans-glycosylation mechanism. Based on verified predictions of the enzyme performance under initial rate conditions (Level 1), the hybrid model was expanded by microscopic terms of the reverse reaction to account for the full-time course of GG synthesis (Level 2). Lastly (Level 3), the application of the hybrid model for comprehensive window-of-operation analysis and constrained optimization of the GG production (~250 g/L) was demonstrated. Using two candidate sucrose phosphorylases (from <em>Leuconostoc mesenteroides</em> and <em>Bifidobacterium adolescentis</em>), we reveal the hybrid model as a powerful tool of “process decision making” to guide rational selection of the best-suited enzyme catalyst. Our study exemplifies a closing of the gap between enzyme kinetic models considered for mechanistic research and applicable in technologically relevant reaction conditions; and it highlights the important benefit thus realizable for biocatalytic process development.
DOI: 10.6084/m9.figshare.19524844
title: chartDataset.zip

description: A large-scale dataset containing 120.000 chart images organized into 20 categories. Each image in the dataset is labeled and joined with additional documentation that includes the ground truth. All images are created with Python Plotly.
DOI: 10.18419/darus-2578/1
title: convergence_1e10_w60_periodicWhole_instabilities_20cells.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with 20 cells per instability in horizontal direction which correlates with a cell width of 1e-4 m.
DOI: 10.18419/darus-2578/2
title: convergence_1e10_w60_periodicWhole_instabilities_3cells.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with 3 cells per instability in horizontal direction which correlates with a cell width of 3.33e-3 m.
DOI: 10.18419/darus-2578/3
title: convergence_1e10_w60_periodicWhole_instabilities_5cells.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with 5 cells per instability in horizontal direction which correlates with a cell width of 2e-3 m.
DOI: 10.18419/darus-2578/4
title: convergence_1e10_w60_periodicWhole_instabilities_ts100.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with a time step of 100 s.
DOI: 10.18419/darus-2578/5
title: convergence_1e10_w60_periodicWhole_instabilities_ts150.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with a time step of 150 s.
DOI: 10.18419/darus-2578/6
title: convergence_1e10_w60_periodicWhole_instabilities_ts25.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with a time step of 25 s.
DOI: 10.18419/darus-2578/7
title: convergence_1e10_w60_periodicWhole_instabilities_y_200cells_uniform.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with 200 uniform cells in vertical direction which correlates with a top cell height of 1e-3 m.
DOI: 10.18419/darus-2578/8
title: convergence_1e10_w60_periodicWhole_instabilities_y_30cells.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with 30 graded cells in vertical direction which correlates with a top cell height of 9.84e-4 m.
DOI: 10.18419/darus-2578/9
title: convergence_1e10_w60_periodicWhole_instabilities_y_35cells.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with 35 graded cells in vertical direction which correlates with a top cell height of 5.71e-4 m.
DOI: 10.18419/darus-2578/10
title: convergence_1e10_w60_periodicWhole_instabilities_y_50cells.tar.gz

description: Results of the numerical simulation used for the convergence study presented in Appendix E. Case with 50 graded cells in vertical direction which correlates with a top cell height of 1.15e-4 m.
DOI: 10.18419/darus-2578/11
title: initial_1e11_instabilities_w60_periodicTop.tar.gz

description: Results of the numerical simulation presented in section 4.5 investigating the initial conditions. Case with periodic initial conditions applied at the top.
DOI: 10.18419/darus-2578/12
title: initial_1e11_w60_instabilities_noPerturbation.tar.gz

description: Results of the numerical simulation presented in section 4.5 investigating the initial conditions. Case with no initial perturbations.
DOI: 10.18419/darus-2578/13
title: initial_1e11_w60_instabilities_periodicWhole_a1e12.tar.gz

description: Results of the numerical simulation presented in section 4.5 investigating the initial conditions. Case with periodic initial conditions applied in the whole domain and an amplitude of 1e-12 m.
DOI: 10.18419/darus-2578/14
title: initial_1e11_w60_instabilities_periodicWhole_notFitting.tar.gz

description: Results of the numerical simulation presented in section 4.5 investigating the initial conditions. Case with periodic initial conditions applied in the whole domain and a domain half width of 0.25 m.
DOI: 10.18419/darus-2578/15
title: initial_1e11_w60_instabilities_randomTop.tar.gz

description: Results of the numerical simulation presented in section 4.5 investigating the initial conditions. Case with random initial conditions applied at the top.
DOI: 10.18419/darus-2578/16
title: initial_1e11_w60_instabilities_randomWhole_a1e12.tar.gz

description: Results of the numerical simulation presented in section 4.5 investigating the initial conditions. Case with random initial conditions applied in the whole domain and a standard deviation of 1e-12.
DOI: 10.6084/m9.figshare.17134955
title: rpoB gene sequences

description: Files associated with the analysis of <i>rpoB</i> gene sequence data presented in Smith-Zaitlik et al. Extended genomic analyses of the broad-host-range phages vB_KmiM-2Di and vB_KmiM-4Dii reveal slopekviruses have highly conserved genomes.<br>
DOI: 10.6084/m9.figshare.17134955.v2
title: rpoB gene sequences

description: Files associated with the analysis of <i>rpoB</i> gene sequence data presented in Smith-Zaitlik et al. Extended genomic analyses of the broad-host-range phages vB_KmiM-2Di and vB_KmiM-4Dii reveal slopekviruses have highly conserved genomes.<br>
DOI: 10.18419/darus-2578/17
title: permeabilities_1e10_w60_periodicWhole_instabilities_l0015.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-10 m2 and periodic initial conditions with a wavelength of 0.015 m.
DOI: 10.6084/m9.figshare.17134955.v1
title: rpoB gene sequences

description: Files associated with the analysis of <i>rpoB</i> gene sequence data.<br>
DOI: 10.18419/darus-2578/18
title: permeabilities_1e10_w60_periodicWhole_instabilities_l001.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-10 m2 and periodic initial conditions with a wavelength of 0.01 m.
DOI: 10.18419/darus-2578/19
title: permeabilities_1e10_w60_randomWhole_instabilities.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-10 m2 and random initial conditions.
DOI: 10.18419/darus-2578/20
title: permeabilities_1e11_w60_periodicWhole_instabilities_l003.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-11 m2 and periodic initial conditions with a wavelength of 0.03 m.
DOI: 10.18419/darus-2578/21
title: permeabilities_1e11_w60_periodicWhole_instabilities_l004.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-11 m2 and periodic initial conditions with a wavelength of 0.04 m.
DOI: 10.18419/darus-2578/22
title: permeabilities_1e11_w60_randomWhole_instabilities.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-11 m2 and random initial conditions.
DOI: 10.18419/darus-2578/23
title: permeabilities_1e12_w60_periodicWhole_instabilities_l006.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-12 m2 and periodic initial conditions with a wavelength of 0.06 m.
DOI: 10.18419/darus-2578/24
title: permeabilities_1e12_w60_periodicWhole_instabilities_l012.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-12 m2 and periodic initial conditions with a wavelength of 0.12 m.
DOI: 10.18419/darus-2578/25
title: permeabilities_1e12_w60_randomWhole_instabilities.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-12 m2 and random initial conditions.
DOI: 10.18419/darus-2578/26
title: permeabilities_1e13_w60_periodicWhole_instabilities_l015.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-13 m2 and periodic initial conditions with a wavelength of 0.15 m.
DOI: 10.18419/darus-2578/27
title: permeabilities_1e13_w60_periodicWhole_instabilities_l03_restart.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-13 m2 and periodic initial conditions with a wavelength of 0.3 m. Part 2.
DOI: 10.18419/darus-2578/28
title: permeabilities_1e13_w60_periodicWhole_instabilities_l03.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-13 m2 and periodic initial conditions with a wavelength of 0.3 m. Part 1.
DOI: 10.18419/darus-2578/29
title: permeabilities_1e13_w60_randomWhole_instabilities_restart.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-13 m2 and random initial conditions. Part 2.
DOI: 10.18419/darus-2578/30
title: permeabilities_1e13_w60_randomWhole_instabilities.tar.gz

description: Results of the numerical simulation presented in section 5 investigating different permeabilities. Case with a permeability of K=1e-13 m2 and random initial conditions. Part 1.
DOI: 10.18419/darus-2578
title: Replication Data for the numerical simulations in: Evaporation-driven density instabilities in saturated porous media

description: This dataset contains the raw data of the results of the numerical simulations published in: Carina Bringedal, Theresa Schollenberger, G. J. M. Pieters, C. J. van Duijn and Rainer Helmig. Evaporation-driven density instabilities in saturated porous media. Transport in Porous Media. 2022. doi: 10.1007/s11242-022-01772-w. All files starting with "permeabilities" are containing results of numerical simulations presented in section 5 of the paper with the different permeabilities for random and periodic initial perturbations. All files starting with "initial" are containing results of numerical simulations presented in section 4.5 of the paper investigating different initial perturbations. And all files starting with "convergence" are containing results of numerical simulations presented in appendix E of the paper used for the grid and time-step convergence study. The different gzip archives contain vtu-files for every time step and one pvd-file summarizing all timesteps, which can e.g. be visualized by paraview (https://www.paraview.org/). To reproduce the evaluation done for the paper please check the related git-repository (see Related Material, https://git.iws.uni-stuttgart.de/dumux-pub/bringedal2021a), which includes evaluation scripts and a description of the evaluation. There also the code used to produce this dataset is available.
DOI: 10.5517/ccdc.csd.cc28g4rn
title: CCDC 2098971: Experimental Crystal Structure Determination

description: Related Article: Raju Jannapu Reddy, Arram Haritha Kumari, Nunavath Sharadha, Gamidi Rama Krishna|2022|J.Org.Chem.|87|3934|doi:10.1021/acs.joc.1c02444
DOI: 10.5517/ccdc.csd.cc28g4tq
title: CCDC 2098973: Experimental Crystal Structure Determination

description: Related Article: Raju Jannapu Reddy, Arram Haritha Kumari, Nunavath Sharadha, Gamidi Rama Krishna|2022|J.Org.Chem.|87|3934|doi:10.1021/acs.joc.1c02444
DOI: 10.5517/ccdc.csd.cc28g4qm
title: CCDC 2098970: Experimental Crystal Structure Determination

description: Related Article: Raju Jannapu Reddy, Arram Haritha Kumari, Nunavath Sharadha, Gamidi Rama Krishna|2022|J.Org.Chem.|87|3934|doi:10.1021/acs.joc.1c02444
DOI: 10.5517/ccdc.csd.cc28g4sp
title: CCDC 2098972: Experimental Crystal Structure Determination

description: Related Article: Raju Jannapu Reddy, Arram Haritha Kumari, Nunavath Sharadha, Gamidi Rama Krishna|2022|J.Org.Chem.|87|3934|doi:10.1021/acs.joc.1c02444
DOI: 10.5517/ccdc.csd.cc2bgf9k
title: CCDC 2158818: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2bgfbl
title: CCDC 2158819: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2bgfcm
title: CCDC 2158820: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2bgfdn
title: CCDC 2158821: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2bgffp
title: CCDC 2158822: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2bgfgq
title: CCDC 2158823: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2bgfhr
title: CCDC 2158824: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2bgfjs
title: CCDC 2158825: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2bgfmw
title: CCDC 2158828: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2bgfnx
title: CCDC 2158829: Experimental Crystal Structure Determination

description: Related Article: Alexander Hübner, Michael Bolte, Matthias Wagner|2022|CSD Communication|||
DOI: 10.6084/m9.figshare.17054969.v1
title: Data

description: <br>Density-dependent changes of mating system and family structure in Brandt's voles
DOI: 10.5281/zenodo.6417423
title: Dataset for plots and tables of a paper on asymptotically exact a posteriori error estimates for mixed Laplace eigenvalue problems

description: This compressed dataset includes all generated data for the paper "A note on asymptotically exact a posteriori error estimates for mixed Laplace eigenvalue problems"
DOI: 10.5281/zenodo.6417422
title: Dataset for plots and tables of a paper on asymptotically exact a posteriori error estimates for mixed Laplace eigenvalue problems

description: This compressed dataset includes all generated data for the paper "A note on asymptotically exact a posteriori error estimates for mixed Laplace eigenvalue problems"
DOI: 10.6084/m9.figshare.17054969
title: Data

description: Density-dependent changes of mating system and family structure in Brandt's voles<br>
DOI: 10.6084/m9.figshare.17054969.v3
title: Data

description: Density-dependent changes of mating system and family structure in Brandt's voles<br>
DOI: 10.6084/m9.figshare.17054969.v2
title: Data

description: <br>Density-dependent changes of mating system and family structure in Brandt's voles
DOI: 10.15161/oar.it/75418
title: CovidStat project data

description: This record contains the daily updated data of the CovidStat project. CovidStat is a project carried out by the CovidStat Working Group at INFN, whose creation was promoted within the Italian National Institute of Nuclear Physics with the aim of making a statistical analysis of the data provided daily by the Civil Protection on the spread of the pandemic in Italy. CovidStat data can interactively be browsed at https://covid19.infn.it.
description: The software to process this Root TTree is in the related identifier. Be sure to use the right corresponding version, based on the data in which Root TTree was generated..
DOI: 10.5255/ukda-sn-855597
title: Systematic Map and In-depth Review of Empirical Studies of Informal Social Support Interventions for Victim-survivors of Domestic Violence and Abuse, 2021

description: A database of empirical studies that examine informal social support interventions, with codes applied as part of the systematic mapping and in-depth review process (data captured about each study, sample, intervention, outcomes).
DOI: 10.5281/zenodo.6417427
title: Datos_RSL_Videojuegos_2022

description: Datos de la muestra de artículos de la Revisión Sistemática de la Literatura (RSL) sobre videojuegos
DOI: 10.5281/zenodo.6417426
title: Datos_RSL_Videojuegos_2022

description: Datos de la muestra de artículos de la Revisión Sistemática de la Literatura (RSL) sobre videojuegos
DOI: 10.5063/f1hd7t4m
title: Digitisation of Weather Records of Seungjeongwon Ilgi: A Historical Weather Dynamics Dataset of the Korean Peninsula (1623-1910)

description: This study has exploited the daily weather records of Seungjeongwon Ilgi from the NIKH database. Seungjeongwon Ilgi is a daily record of the Seungjeongwon, the Royal Secretariat of the Joseon Dynasty of Korea. These diaries span from 1623 to 1910 and generally involve daily weather records in the entry header. Their observational site would be located in Seoul (N37°35′, E126°59′). We have exploited the weather records from the NIKH database and classified the daily weather using text mining method. We have also converted the report dates from the traditional lunisolar calendar to the Gregorian calendar, to better contextualise our data into the contemporary daily measurements.
DOI: 10.5287/bodleian:8j26wozqg
title: Varicose veins GWAS summary statistics
DOI: 10.6084/m9.figshare.17080283
title: Dairy streptococcal cell wall and exopolysaccharide genome diversity

description: Supplementary Material for 'Dairy streptococcal cell wall and exopolysaccharide genome diversity', as published in <i>Microbial Genomics</i>.
DOI: 10.6084/m9.figshare.17080283.v1
title: Dairy streptococcal cell wall and exopolysaccharide genome diversity

description: Supplementary Material for 'Dairy streptococcal cell wall and exopolysaccharide genome diversity', as published in <i>Microbial Genomics</i>.
DOI: 10.5281/zenodo.6417442
title: Data Set and Replication Package of Paper on Handling Environmental Uncertainty in Design Time Access Control Analysis

description: Data set and replication package for Paper "Handling Environmental Uncertainty in Design Time Access Control Analysis". The data set contains an overview of used case studies, with illustrations and descriptions. The replication package contains the implemented application as well as model instances of every case study used for the evaluation.
DOI: 10.5281/zenodo.6417441
title: Data Set and Replication Package of Paper on Handling Environmental Uncertainty in Design Time Access Control Analysis

description: Data set and replication package for Paper "Handling Environmental Uncertainty in Design Time Access Control Analysis". The data set contains an overview of used case studies, with illustrations and descriptions. The replication package contains the implemented application as well as model instances of every case study used for the evaluation.
DOI: 10.6084/m9.figshare.19524931
title: Spectral transmittances of blue-blocking filters

description: This file contains the spetral transmittances of the blue light blocking filters studied in the article: Long term effects of blue blocking spectacle 1 lenses on color perception (2022). Opics Express. By Santandreu et al.<br>
DOI: 10.6084/m9.figshare.19524931.v1
title: Spectral transmittances of blue-blocking filters

description: This file contains the spetral transmittances of the blue light blocking filters studied in the article: Long term effects of blue blocking spectacle 1 lenses on color perception (2022). Opics Express. By Santandreu et al.<br>
DOI: 10.5285/53a1acaf5adb4b22b19397bf08d229ef
title: Transition Air: Street side measurements of dispersed NO from an NO bottle in Oxford.

description: This dataset contains measurements of dispersed Nitric Oxide (NO) made at a relatively low traffic area, Mansfield Road, in the city of Oxford, U.K. as part of project funded through the TRANSITION AIR QUALITY Network. NO was released from a bottle with a known concentration of 10,000ppm NO in nitrogen mounted at the back of an electric van and the dispersed NO measured at the roadside using fast response sensors provided by Cambustion Ltd. These measurements were then used to validate Computational Fluid Dynamics Models. The tests were carried out during a single day at different locations on the road. Wind direction, wind speed and the concentration of sensed NO are recorded and presented in the archived dataset.
DOI: 10.5255/ukda-sn-855370
title: Smart City Community Stakeholder Interviews in Nashik, Jalandhar, and Shimla, 2019

description: The data being archived is drawn from interviews and participant content from the MMA app at the case study sites with members of the community being affected by the proposed smart city projects. These are interviews conducted at six case study sites with individuals and groups who are regular users of space at these sites. The themes cover histories of engagement with these spaces, community and business histories, personal geographies, and narratives of negotiating political engagements with various city-level actors such as local politicians, the municipality, and police.