heiDATA

Metrics

189,636 Downloads

Featured Dataverses

In order to use this feature you must have at least one published dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

Publication Year: 2022 Subject: Chemistry

1 to 10 of 33 Results

Bond dissociation energies of X−H bonds in proteins [data] Feb 14, 2023 - HITS MBM Riedmiller, Kai; Treyde, Wojtek; Gräter, Frauke, 2022, "Bond dissociation energies of X−H bonds in proteins [data]", https://doi.org/10.11588/data/AA3UAQ, heiDATA, V2 Knowledge of reliable X−H bond dissociation energies (X = C, N, O, S) for amino acids in proteins is key for studying the radical chemistry of proteins. X−H bond dissociation energies of model dipeptides were computed using the isodesmic reaction method at the BMK/6-31+G(2df,p) a...
Late-Stage Functionalisation of Peptides on the Solid Phase by an Iodination-Substitution Approach [Research Data] Dec 19, 2022 - Thomas Lab Werner, Marius; Pampel, Julius; Pham, Truc Lam; Thomas, Franziska, 2022, "Late-Stage Functionalisation of Peptides on the Solid Phase by an Iodination-Substitution Approach [Research Data]", https://doi.org/10.11588/data/RG2NHY, heiDATA, V1 The functionalisation of peptides at a late synthesis stage holds great potential, for example, for the synthesis of peptide pharmaceuticals, fluorescent biosensors or peptidomimetics. Here we describe an on-resin iodination-substitution reaction sequence on homoserine that is al...
Dimeric and Trimeric Catenation of Giant Chiral [8+12] Imine Cubes Driven by Weak Supramolecular Interactions [Data] Dec 14, 2022 - Institute of Organic Chemistry - AK Mastalerz Benke, Bahiru P.; Kirschbaum, Tobias; Graf, Jürgen; Gross, Jürgen; Mastalerz, Michael, 2022, "Dimeric and Trimeric Catenation of Giant Chiral [8+12] Imine Cubes Driven by Weak Supramolecular Interactions [Data]", https://doi.org/10.11588/data/HI9BJD, heiDATA, V1 Mechanically interlocked structures, such as catenanes or rotaxanes are fascinating synthetic targets and some are used for molecular switches and machines. Today, the vast majority of catenated structures are built upon macrocycles and only a very few examples of three-dimension...
Chirale polyzyklische aromatische Kohlenwasserstoffe mit Affensattel-Topologie [Data] Dec 5, 2022 - AK Mastalerz- PhD related Material Kirschbaum, Tobias, 2022, "Chirale polyzyklische aromatische Kohlenwasserstoffe mit Affensattel-Topologie [Data]", https://doi.org/10.11588/data/SHVINO, heiDATA, V1 In this thesis, the first chiral polycyclic aromatic hydrocarbon (PAH) with a monkey saddle topology is presented. Starting from a truxene building block that is readily preparatively accessible, the monkey saddle PAH could easily be obtained in three steps. By using additional f...
AK Mastalerz- PhD related Material(Universität Heidelberg) Dec 5, 2022Institute of Organic Chemistry - AK Mastalerz
[2+3] Amide Cages by Oxidation of [2+3] Imine Cages - Revisiting Molecular Hosts for Efficient Nitrate Binding [Data] Dec 5, 2022 - Institute of Organic Chemistry - AK Mastalerz Lauer, Jochen C.; Bhat, Avinash S.; Barwig, Chantal; Rominger, Frank; Mastalerz, Michael, 2022, "[2+3] Amide Cages by Oxidation of [2+3] Imine Cages - Revisiting Molecular Hosts for Efficient Nitrate Binding [Data]", https://doi.org/10.11588/data/HWLKZT, heiDATA, V1 The pollution of groundwater with nitrate is a serious issue because nitrate can cause several diseases such as methemoglobinemia or cancer. Therefore, selective removal of nitrate by efficient binding to supramolecular hosts is highly desired. Here we describe how to make [2+3]...
A Series of Soluble Thieno-fused Coronene Nanoribbons of Precise Lengths [Data] Nov 23, 2022 - Institute of Organic Chemistry - AK Mastalerz Yang, Xuan; Elbert, Sven Michael; Rominger, Frank; Mastalerz, Michael, 2022, "A Series of Soluble Thieno-fused Coronene Nanoribbons of Precise Lengths [Data]", https://doi.org/10.11588/data/30AOAT, heiDATA, V1 Among graphene nanoribbons (GNRs), reports on coronene-based GNRs were very rare, despite the unique optoelectronic properties of coronene. Herein, the synthesis of a series of structurally precise and soluble thieno-fused coronene nanoribbons (CR-1 to CR-4) with up to four coron...
Highly Selective Adsorption of Perfluorinated Greenhouse Gases by Porous Organic Cages [Data] Nov 16, 2022 - Institute of Organic Chemistry - AK Mastalerz Tian, Ke; Elbert, Sven Michael; Hu, Xinyue; Kirschbaum, Tobias; Zhang, Wen-Shan; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael, 2022, "Highly Selective Adsorption of Perfluorinated Greenhouse Gases by Porous Organic Cages [Data]", https://doi.org/10.11588/data/O9I5UP, heiDATA, V1 Anthropogenic greenhouse gases contribute to global warming. Among those gases, perfluorocarbons (PFCs) are thousands to tens of thousands times more harmful to the environment than comparable amounts of carbon dioxide. Till date, materials that selectively adsorb perfluorocarbon...
HITS MBM(Heidelberg Institute for Theoretical Studies) Nov 8, 2022 Data publications from the the Molecular Biomechanics (MBM) group at HITS. Shareholders of HITS are the “HITS-Stiftung”, Heidelberg University and the Karlsruhe Institute of Technology (KIT)
A Facile Approach for 4D Microprinting of Multi-Photoresponsive Actuators [data] Nov 2, 2022 - Blasco Group Hsu, Li-Yun; Mainik, Philipp; Münchinger, Alexander; Lindenthal, Sebastian; Spratte, Tobias; Welle, Alexander; Zaumseil, Jana; Selhuber-Unkel, Christine; Wegener, Martin; Blasco, Eva, 2022, "A Facile Approach for 4D Microprinting of Multi-Photoresponsive Actuators [data]", https://doi.org/10.11588/data/MR5H4A, heiDATA, V1 For microscale 4D photoresponsive actuators, light is crucial in two ways. First, the underlying additive manufacturing techniques rely on photopolymerization processes triggered by the absorption of light. Second, the absorption of light serves as the actuation stimulus. The two...

Bond dissociation energies of X−H bonds in proteins [data]

Feb 14, 2023 - HITS MBM

Riedmiller, Kai; Treyde, Wojtek; Gräter, Frauke, 2022, "Bond dissociation energies of X−H bonds in proteins [data]", https://doi.org/10.11588/data/AA3UAQ, heiDATA, V2

Knowledge of reliable X−H bond dissociation energies (X = C, N, O, S) for amino acids in proteins is key for studying the radical chemistry of proteins. X−H bond dissociation energies of model dipeptides were computed using the isodesmic reaction method at the BMK/6-31+G(2df,p) a...

Late-Stage Functionalisation of Peptides on the Solid Phase by an Iodination-Substitution Approach [Research Data]

Dec 19, 2022 - Thomas Lab

Werner, Marius; Pampel, Julius; Pham, Truc Lam; Thomas, Franziska, 2022, "Late-Stage Functionalisation of Peptides on the Solid Phase by an Iodination-Substitution Approach [Research Data]", https://doi.org/10.11588/data/RG2NHY, heiDATA, V1

The functionalisation of peptides at a late synthesis stage holds great potential, for example, for the synthesis of peptide pharmaceuticals, fluorescent biosensors or peptidomimetics. Here we describe an on-resin iodination-substitution reaction sequence on homoserine that is al...

Dimeric and Trimeric Catenation of Giant Chiral [8+12] Imine Cubes Driven by Weak Supramolecular Interactions [Data]

Dec 14, 2022 - Institute of Organic Chemistry - AK Mastalerz

Benke, Bahiru P.; Kirschbaum, Tobias; Graf, Jürgen; Gross, Jürgen; Mastalerz, Michael, 2022, "Dimeric and Trimeric Catenation of Giant Chiral [8+12] Imine Cubes Driven by Weak Supramolecular Interactions [Data]", https://doi.org/10.11588/data/HI9BJD, heiDATA, V1

Mechanically interlocked structures, such as catenanes or rotaxanes are fascinating synthetic targets and some are used for molecular switches and machines. Today, the vast majority of catenated structures are built upon macrocycles and only a very few examples of three-dimension...

Chirale polyzyklische aromatische Kohlenwasserstoffe mit Affensattel-Topologie [Data]

Dec 5, 2022 - AK Mastalerz- PhD related Material

Kirschbaum, Tobias, 2022, "Chirale polyzyklische aromatische Kohlenwasserstoffe mit Affensattel-Topologie [Data]", https://doi.org/10.11588/data/SHVINO, heiDATA, V1

In this thesis, the first chiral polycyclic aromatic hydrocarbon (PAH) with a monkey saddle topology is presented. Starting from a truxene building block that is readily preparatively accessible, the monkey saddle PAH could easily be obtained in three steps. By using additional f...

AK Mastalerz- PhD related Material(Universität Heidelberg)

Dec 5, 2022Institute of Organic Chemistry - AK Mastalerz

[2+3] Amide Cages by Oxidation of [2+3] Imine Cages - Revisiting Molecular Hosts for Efficient Nitrate Binding [Data]

Dec 5, 2022 - Institute of Organic Chemistry - AK Mastalerz

Lauer, Jochen C.; Bhat, Avinash S.; Barwig, Chantal; Rominger, Frank; Mastalerz, Michael, 2022, "[2+3] Amide Cages by Oxidation of [2+3] Imine Cages - Revisiting Molecular Hosts for Efficient Nitrate Binding [Data]", https://doi.org/10.11588/data/HWLKZT, heiDATA, V1

The pollution of groundwater with nitrate is a serious issue because nitrate can cause several diseases such as methemoglobinemia or cancer. Therefore, selective removal of nitrate by efficient binding to supramolecular hosts is highly desired. Here we describe how to make [2+3]...

A Series of Soluble Thieno-fused Coronene Nanoribbons of Precise Lengths [Data]

Nov 23, 2022 - Institute of Organic Chemistry - AK Mastalerz

Yang, Xuan; Elbert, Sven Michael; Rominger, Frank; Mastalerz, Michael, 2022, "A Series of Soluble Thieno-fused Coronene Nanoribbons of Precise Lengths [Data]", https://doi.org/10.11588/data/30AOAT, heiDATA, V1

Among graphene nanoribbons (GNRs), reports on coronene-based GNRs were very rare, despite the unique optoelectronic properties of coronene. Herein, the synthesis of a series of structurally precise and soluble thieno-fused coronene nanoribbons (CR-1 to CR-4) with up to four coron...

Highly Selective Adsorption of Perfluorinated Greenhouse Gases by Porous Organic Cages [Data]

Nov 16, 2022 - Institute of Organic Chemistry - AK Mastalerz

Tian, Ke; Elbert, Sven Michael; Hu, Xinyue; Kirschbaum, Tobias; Zhang, Wen-Shan; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael, 2022, "Highly Selective Adsorption of Perfluorinated Greenhouse Gases by Porous Organic Cages [Data]", https://doi.org/10.11588/data/O9I5UP, heiDATA, V1

Anthropogenic greenhouse gases contribute to global warming. Among those gases, perfluorocarbons (PFCs) are thousands to tens of thousands times more harmful to the environment than comparable amounts of carbon dioxide. Till date, materials that selectively adsorb perfluorocarbon...

HITS MBM(Heidelberg Institute for Theoretical Studies)

Nov 8, 2022

Data publications from the the Molecular Biomechanics (MBM) group at HITS. Shareholders of HITS are the “HITS-Stiftung”, Heidelberg University and the Karlsruhe Institute of Technology (KIT)

A Facile Approach for 4D Microprinting of Multi-Photoresponsive Actuators [data]

Nov 2, 2022 - Blasco Group

Hsu, Li-Yun; Mainik, Philipp; Münchinger, Alexander; Lindenthal, Sebastian; Spratte, Tobias; Welle, Alexander; Zaumseil, Jana; Selhuber-Unkel, Christine; Wegener, Martin; Blasco, Eva, 2022, "A Facile Approach for 4D Microprinting of Multi-Photoresponsive Actuators [data]", https://doi.org/10.11588/data/MR5H4A, heiDATA, V1

For microscale 4D photoresponsive actuators, light is crucial in two ways. First, the underlying additive manufacturing techniques rely on photopolymerization processes triggered by the absorption of light. Second, the absorption of light serves as the actuation stimulus. The two...

Add Data

Share Dataverse

Link Dataverse

Reset Modifications