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1 to 10 of 10 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...
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...
Does Happiness Increase in Old Age? Longitudinal Evidence from 20 European Countries [Dataset] Nov 22, 2022 - AWI Experimental Economics Becker, Christoph K.; Trautmann, Stefan T., 2022, "Does Happiness Increase in Old Age? Longitudinal Evidence from 20 European Countries [Dataset]", https://doi.org/10.11588/data/CVMANS, heiDATA, V1 Several studies indicate that happiness follows a U-shape over the life cycle: Happiness decreases after the teenage years until reaching its nadir in middle age. A similar number of studies views the U-shape critically, stating that it is the result of the wrong controls or the...
Capturing complex star dune dynamics - Repeated highly accurate surveys combining multitemporal 3D topographic measurements and local wind data [Data] Sep 15, 2022 - Geomorphology, Soil Geography and Geoarchaeology Herzog, Manuel; Katharina Anders; Bernhard Höfle; Olaf Bubenzer, 2022, "Capturing complex star dune dynamics - Repeated highly accurate surveys combining multitemporal 3D topographic measurements and local wind data [Data]", https://doi.org/10.11588/data/ZAMGCL, heiDATA, V1 Morphologies of highly complex star dunes are the result of aeolian dynamics in past and present times. These dynamics reflect climatic conditions and associated forces like sediment availability and vegetation cover as well as feedbacks with adjacent environments. However, an un...
Making plant methane formation visible – insights from application of 13C-labelled dimethyl sulfoxide [Research Data] Apr 25, 2022 - Biogeochemistry Schroll, Moritz; Lenhart, Katharina; Greiner, Steffen; Keppler, Frank, 2022, "Making plant methane formation visible – insights from application of 13C-labelled dimethyl sulfoxide [Research Data]", https://doi.org/10.11588/data/VJFIBD, heiDATA, V1, UNF:6:1Pzn25XuesxTt+Ygdeo4vg== [fileUNF] Methane (CH4) formation by vegetation has been studied intensively over the last 15 years. However, reported CH4 emissions vary by several orders of magnitude, thus making global estimates difficult. Moreover, the mechanism(s) for CH4 formation by plants is (are) largely unknown....
Inter-Nucleosomal Potentials from Nucleosomal Positioning Data [Research Data] Mar 29, 2022 - Theoretical Physics Li, Kunhe; Oiwa, Nestor N.; Mishra, Sujeet K.; Heermann, Dieter W., 2022, "Inter-Nucleosomal Potentials from Nucleosomal Positioning Data [Research Data]", https://doi.org/10.11588/data/H3KPEU, heiDATA, V1 This dataset accompanies the paper "Inter-Nucleosomal Potentials from Nucleosomal Positioning Data." In this paper, a systematic method to develop inter-nucleosomal potentials between nucleosomes along a chromosome is focused. To this purpose, a modified Lennard-Jones potential i...
Prediction and Comparative Analysis of CTCF Binding Sites based on a First Principle Approach [Research Data] Mar 7, 2022 - Theoretical Physics Li, Kunhe; Oiwa, Nestor Norio; Cordeiro, Claudette E.; Heermann, Dieter W., 2022, "Prediction and Comparative Analysis of CTCF Binding Sites based on a First Principle Approach [Research Data]", https://doi.org/10.11588/data/RDISCE, heiDATA, V1 The file contains the CTCF-DNA binding sites for complete genome of Homo sapiens (human), Mus musculus (mouse), Sus scrofa (pig), Capra hircus (goat), Aedes aegypti (dengue and yellow fever mosquito) and Drosophila melanogaster (fruit fly) using electronic nucleotide alignment. T...
Cyclopentannulated Dihydrotetraazapentacenes [Data] Feb 24, 2022 - Bunz Group Maier, Steffen; Heckershoff, Robin; Wurm, Thomas; Biegger, Philipp; Brödner, Kerstin; Krämer, Petra; Hoffmann, Marvin; Eberle, Lukas; Stein, Jana; Rominger, Frank; Rudolph, Matthias; Freudenberg, Jan; Dreuw, Andreas; Hashmi, Stephen; Bunz, Uwe, 2022, "Cyclopentannulated Dihydrotetraazapentacenes [Data]", https://doi.org/10.11588/data/PZGMSS, heiDATA, V1 The transition-metal catalyzed cyclization of bissilylethynylated N,N’-dihydro¬tetra¬aza¬pentacene (TIPS-TAP-H2) into bissilylated cyclo¬penta¬[fg,qr]¬pentacenes is reported. Depending on the catalyst either none, one or two silyl groups migrate and change their positions in the...
Assessment of glomerular morphological patterns by deep learning algorithms [Research Data] Feb 7, 2022 - Institute of Pathology Mannheim Weis, Cleo-Aron, 2022, "Assessment of glomerular morphological patterns by deep learning algorithms [Research Data]", https://doi.org/10.11588/data/JWZ2CK, heiDATA, V1 Test data and models to the paper "Assessment of glomerular morphological patterns by deep learning algorithms". Different, from other groups, defined CNN-models (saved as .pt-files) are trained to identify nine predefined patterns of glomerular changes. The models are: AlexNet [...
Benzo-Fused Perylene Oligomers with up to 13 Linearly Annulated Rings [Data] Jan 20, 2022 - Institute of Organic Chemistry - AK Mastalerz Yang, Xuan; Rominger, Frank; Mastalerz, Michael, 2022, "Benzo-Fused Perylene Oligomers with up to 13 Linearly Annulated Rings [Data]", https://doi.org/10.11588/data/2TX0VD, heiDATA, V1 The longer acenes with more than six linearly fused six-membered rings are still fascinating chemists and physicists because of their unique photophysical properties and their high potential for organic electronics applications. Unfortunately, with increasing size (seven and more...

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...

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...

Does Happiness Increase in Old Age? Longitudinal Evidence from 20 European Countries [Dataset]

Nov 22, 2022 - AWI Experimental Economics

Becker, Christoph K.; Trautmann, Stefan T., 2022, "Does Happiness Increase in Old Age? Longitudinal Evidence from 20 European Countries [Dataset]", https://doi.org/10.11588/data/CVMANS, heiDATA, V1

Several studies indicate that happiness follows a U-shape over the life cycle: Happiness decreases after the teenage years until reaching its nadir in middle age. A similar number of studies views the U-shape critically, stating that it is the result of the wrong controls or the...

Capturing complex star dune dynamics - Repeated highly accurate surveys combining multitemporal 3D topographic measurements and local wind data [Data]

Sep 15, 2022 - Geomorphology, Soil Geography and Geoarchaeology

Herzog, Manuel; Katharina Anders; Bernhard Höfle; Olaf Bubenzer, 2022, "Capturing complex star dune dynamics - Repeated highly accurate surveys combining multitemporal 3D topographic measurements and local wind data [Data]", https://doi.org/10.11588/data/ZAMGCL, heiDATA, V1

Morphologies of highly complex star dunes are the result of aeolian dynamics in past and present times. These dynamics reflect climatic conditions and associated forces like sediment availability and vegetation cover as well as feedbacks with adjacent environments. However, an un...

Making plant methane formation visible – insights from application of 13C-labelled dimethyl sulfoxide [Research Data]

Apr 25, 2022 - Biogeochemistry

Schroll, Moritz; Lenhart, Katharina; Greiner, Steffen; Keppler, Frank, 2022, "Making plant methane formation visible – insights from application of 13C-labelled dimethyl sulfoxide [Research Data]", https://doi.org/10.11588/data/VJFIBD, heiDATA, V1, UNF:6:1Pzn25XuesxTt+Ygdeo4vg== [fileUNF]

Methane (CH4) formation by vegetation has been studied intensively over the last 15 years. However, reported CH4 emissions vary by several orders of magnitude, thus making global estimates difficult. Moreover, the mechanism(s) for CH4 formation by plants is (are) largely unknown....

Inter-Nucleosomal Potentials from Nucleosomal Positioning Data [Research Data]

Mar 29, 2022 - Theoretical Physics

Li, Kunhe; Oiwa, Nestor N.; Mishra, Sujeet K.; Heermann, Dieter W., 2022, "Inter-Nucleosomal Potentials from Nucleosomal Positioning Data [Research Data]", https://doi.org/10.11588/data/H3KPEU, heiDATA, V1

This dataset accompanies the paper "Inter-Nucleosomal Potentials from Nucleosomal Positioning Data." In this paper, a systematic method to develop inter-nucleosomal potentials between nucleosomes along a chromosome is focused. To this purpose, a modified Lennard-Jones potential i...

Prediction and Comparative Analysis of CTCF Binding Sites based on a First Principle Approach [Research Data]

Mar 7, 2022 - Theoretical Physics

Li, Kunhe; Oiwa, Nestor Norio; Cordeiro, Claudette E.; Heermann, Dieter W., 2022, "Prediction and Comparative Analysis of CTCF Binding Sites based on a First Principle Approach [Research Data]", https://doi.org/10.11588/data/RDISCE, heiDATA, V1

The file contains the CTCF-DNA binding sites for complete genome of Homo sapiens (human), Mus musculus (mouse), Sus scrofa (pig), Capra hircus (goat), Aedes aegypti (dengue and yellow fever mosquito) and Drosophila melanogaster (fruit fly) using electronic nucleotide alignment. T...

Cyclopentannulated Dihydrotetraazapentacenes [Data]

Feb 24, 2022 - Bunz Group

Maier, Steffen; Heckershoff, Robin; Wurm, Thomas; Biegger, Philipp; Brödner, Kerstin; Krämer, Petra; Hoffmann, Marvin; Eberle, Lukas; Stein, Jana; Rominger, Frank; Rudolph, Matthias; Freudenberg, Jan; Dreuw, Andreas; Hashmi, Stephen; Bunz, Uwe, 2022, "Cyclopentannulated Dihydrotetraazapentacenes [Data]", https://doi.org/10.11588/data/PZGMSS, heiDATA, V1

The transition-metal catalyzed cyclization of bissilylethynylated N,N’-dihydro¬tetra¬aza¬pentacene (TIPS-TAP-H2) into bissilylated cyclo¬penta¬[fg,qr]¬pentacenes is reported. Depending on the catalyst either none, one or two silyl groups migrate and change their positions in the...

Assessment of glomerular morphological patterns by deep learning algorithms [Research Data]

Feb 7, 2022 - Institute of Pathology Mannheim

Weis, Cleo-Aron, 2022, "Assessment of glomerular morphological patterns by deep learning algorithms [Research Data]", https://doi.org/10.11588/data/JWZ2CK, heiDATA, V1

Test data and models to the paper "Assessment of glomerular morphological patterns by deep learning algorithms". Different, from other groups, defined CNN-models (saved as .pt-files) are trained to identify nine predefined patterns of glomerular changes. The models are: AlexNet [...

Benzo-Fused Perylene Oligomers with up to 13 Linearly Annulated Rings [Data]

Jan 20, 2022 - Institute of Organic Chemistry - AK Mastalerz

Yang, Xuan; Rominger, Frank; Mastalerz, Michael, 2022, "Benzo-Fused Perylene Oligomers with up to 13 Linearly Annulated Rings [Data]", https://doi.org/10.11588/data/2TX0VD, heiDATA, V1

The longer acenes with more than six linearly fused six-membered rings are still fascinating chemists and physicists because of their unique photophysical properties and their high potential for organic electronics applications. Unfortunately, with increasing size (seven and more...

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