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Subject: Chemistry Author Affiliation: Universität Stuttgart Publication Year: 2021

1 to 10 of 47 Results

Replication Data for: A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports Nov 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Acikalin, Hande; Ziegler, Felix; Buchmeiser, Michael, 2021, "Replication Data for: A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports", https://doi.org/10.18419/darus-2243, DaRUS, V1, UNF:6:p82WcxeApActls7MElmKaA== [fileUNF] All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. Further experimental for reproduction of experiments can be found in the Supporting Information. We report on the first R...
Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes" Nov 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Ziegler, Felix; Benedikter, Mathis; Wang, Dongren, 2021, "Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2248, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: qp...
Data for: "Olefin Ring-closing Metathesis under Spatial Confinement and Continuous Flow" Nov 26, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Ziegler, Felix, 2021, "Data for: "Olefin Ring-closing Metathesis under Spatial Confinement and Continuous Flow"", https://doi.org/10.18419/darus-1690, DaRUS, V1 The use of a 2nd-generation Hoveyda-Grubbs-type catalyst immobilized inside mesoporous silica for the application in selective macro(mono)cyclization (MMC) of an alpha,omega-diene under spatially confined and continuous-flow conditions. Data you will find: NMR-Data for the determ...
NGS data related to Bröhm et al.: Methylation of recombinant mononucleosomes by DNMT3A demonstrates efficient linker DNA methylation and a role of H3K36me3 Nov 25, 2021 - Amplicon based bisulfite NGS data Jeltsch, Albert; Bashtrykov, Pavel; Bröhm, Alexander; Dukatz, Michael; Adam, Sabrina, 2021, "NGS data related to Bröhm et al.: Methylation of recombinant mononucleosomes by DNMT3A demonstrates efficient linker DNA methylation and a role of H3K36me3", https://doi.org/10.18419/darus-1252, DaRUS, V2 Methylation experiments: For the competitive nucleosome methylation experiments, 0.6 pmol of each nucleosome variant were digested with MluI (NEB) for 60 min at 37°C in 10 µL NEB Cutsmart buffer (50 mM KOAc/20 mM Tris-acetate pH 7.9, 10 mM Magnesium Acetate, 100 µg/mL BSA) to rem...
Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B' Nov 25, 2021 - Molecular Simulation Markthaler, Daniel; Hansen, Niels, 2021, "Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'", https://doi.org/10.18419/darus-2104, DaRUS, V1 This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and doub...
Data related to "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects" Nov 11, 2021 - Amplicon based bisulfite NGS data Jeltsch, Albert; Bashtrykov, Pavel; Adam, Sabrina; Mack, Alexandra; Emperle, Max, 2021, "Data related to "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"", https://doi.org/10.18419/darus-2231, DaRUS, V1 Methylation of substrate libraries Single-stranded DNA oligonucleotides used for generation of double stranded substrates with a distance of 12 base pairs between CpG sites were obtained from IDT. Second strand synthesis was conducted by a primer extension reaction using one univ...
Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments Oct 15, 2021 - PN 6 Zaverkin, Viktor; Holzmüller, David; Steinwart, Ingo; Kästner, Johannes, 2021, "Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments", https://doi.org/10.18419/darus-2136, DaRUS, V1 Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab
Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface Sep 30, 2021 - SFB 1333 C1 - Dyballa group, ITC Rieg, Carolin, 2021, "Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface", https://doi.org/10.18419/darus-2119, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from collaborating groups, especially the Kästner (C4) and the Schmitz group (C3), can be found in the same dataset. Th...
Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes' Sep 14, 2021 - Molecular Simulation Kraus, Hamzeh; Hansen, Niels, 2021, "Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'", https://doi.org/10.18419/darus-1752, DaRUS, V1 This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory Mdp) are provided for four simulations - a 2.5 nm pore with one catalyst molecule, a 2.5 nm pore with two catalyst...
Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis" Aug 11, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"", https://doi.org/10.18419/darus-1811, DaRUS, V1 All primary data files of measurements and processed data of the journal article from Buchmeiser group can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. P...

Replication Data for: A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports

Nov 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Acikalin, Hande; Ziegler, Felix; Buchmeiser, Michael, 2021, "Replication Data for: A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports", https://doi.org/10.18419/darus-2243, DaRUS, V1, UNF:6:p82WcxeApActls7MElmKaA== [fileUNF]

All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. Further experimental for reproduction of experiments can be found in the Supporting Information. We report on the first R...

Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"

Nov 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Ziegler, Felix; Benedikter, Mathis; Wang, Dongren, 2021, "Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2248, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: qp...

Data for: "Olefin Ring-closing Metathesis under Spatial Confinement and Continuous Flow"

Nov 26, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Ziegler, Felix, 2021, "Data for: "Olefin Ring-closing Metathesis under Spatial Confinement and Continuous Flow"", https://doi.org/10.18419/darus-1690, DaRUS, V1

The use of a 2nd-generation Hoveyda-Grubbs-type catalyst immobilized inside mesoporous silica for the application in selective macro(mono)cyclization (MMC) of an alpha,omega-diene under spatially confined and continuous-flow conditions. Data you will find: NMR-Data for the determ...

NGS data related to Bröhm et al.: Methylation of recombinant mononucleosomes by DNMT3A demonstrates efficient linker DNA methylation and a role of H3K36me3

Nov 25, 2021 - Amplicon based bisulfite NGS data

Jeltsch, Albert; Bashtrykov, Pavel; Bröhm, Alexander; Dukatz, Michael; Adam, Sabrina, 2021, "NGS data related to Bröhm et al.: Methylation of recombinant mononucleosomes by DNMT3A demonstrates efficient linker DNA methylation and a role of H3K36me3", https://doi.org/10.18419/darus-1252, DaRUS, V2

Methylation experiments: For the competitive nucleosome methylation experiments, 0.6 pmol of each nucleosome variant were digested with MluI (NEB) for 60 min at 37°C in 10 µL NEB Cutsmart buffer (50 mM KOAc/20 mM Tris-acetate pH 7.9, 10 mM Magnesium Acetate, 100 µg/mL BSA) to rem...

Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'

Nov 25, 2021 - Molecular Simulation

Markthaler, Daniel; Hansen, Niels, 2021, "Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'", https://doi.org/10.18419/darus-2104, DaRUS, V1

This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and doub...

Data related to "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"

Nov 11, 2021 - Amplicon based bisulfite NGS data

Jeltsch, Albert; Bashtrykov, Pavel; Adam, Sabrina; Mack, Alexandra; Emperle, Max, 2021, "Data related to "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects"", https://doi.org/10.18419/darus-2231, DaRUS, V1

Methylation of substrate libraries Single-stranded DNA oligonucleotides used for generation of double stranded substrates with a distance of 12 base pairs between CpG sites were obtained from IDT. Second strand synthesis was conducted by a primer extension reaction using one univ...

Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments

Oct 15, 2021 - PN 6

Zaverkin, Viktor; Holzmüller, David; Steinwart, Ingo; Kästner, Johannes, 2021, "Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments", https://doi.org/10.18419/darus-2136, DaRUS, V1

Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab

Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface

Sep 30, 2021 - SFB 1333 C1 - Dyballa group, ITC

Rieg, Carolin, 2021, "Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface", https://doi.org/10.18419/darus-2119, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from collaborating groups, especially the Kästner (C4) and the Schmitz group (C3), can be found in the same dataset. Th...

Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'

Sep 14, 2021 - Molecular Simulation

Kraus, Hamzeh; Hansen, Niels, 2021, "Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'", https://doi.org/10.18419/darus-1752, DaRUS, V1

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory Mdp) are provided for four simulations - a 2.5 nm pore with one catalyst molecule, a 2.5 nm pore with two catalyst...

Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"

Aug 11, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"", https://doi.org/10.18419/darus-1811, DaRUS, V1

All primary data files of measurements and processed data of the journal article from Buchmeiser group can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. P...

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