31 to 40 of 115 Results
Feb 9, 2024 - Blasco Group
Hou, Yi; Zhu, Guangda; Catt, Samantha O.; Yin, Yuhan; Xu, Jian; Blasco, Eva; Zhao, Ning, 2024, "Closed-Loop Recyclable Silica-Based Nanocomposites with Multifunctional Properties and Versatile Processability [data]", https://doi.org/10.11588/data/IKZRKW, heiDATA, V1
Most plastics originate from limited petroleum reserves and cannot be effectively recycled at the end of their life cycle, making them a significant threat to the environment and human health. Closed-loop chemical recycling, by depolymerizing plastics into monomers that can be re... |
Pham, Truc Lam; Conde González, Marcos Rafael; Fazliev, Sunnatullo; Kishore, Agi; Comba, Peter; Thomas, Franziska, 2024, "Relationship of Thermostability and Binding Affinity in Metal-binding WW-Domain Minireceptors [Research Data]", https://doi.org/10.11588/data/QSJTR0, heiDATA, V1
The design of metallo-miniproteins advances our understanding of the structural and functional roles of metals in proteins. We recently designed a metal-binding WW domain, WW-CA-Nle, which displays three histidine residues on its surface for coordination of divalent metals Ni(II)... |
Kokollari, Agon; Werner, Marius; Lindner, Christina; Pham, Truc Lam; Thomas, Franziska, 2024, "Rapid On-Resin N-Formylation of Peptides as One-Pot Reaction [Research Data]", https://doi.org/10.11588/data/00RULE, heiDATA, V1
N-formylation is a common pre- and post-translational modification of the N-terminus or the lysine side chain of peptides and proteins that plays a role in the initiation of immune responses, gene expression, or epigenetics. Despite its high biological relevance, protocols for th... |
Feb 1, 2024 - Bunz Group
Zong, Wansheng; Hippchen, Nikolai; Nico, Zeitter; Maier, Steffen; Philipp, Ludwig; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F., 2024, "Stable Azaheptacenes", https://doi.org/10.11588/data/P9AVCU, heiDATA, V1
we have developed a novel access to stable azaheptacenes and investigated both their (air-stable) radical anions as well as dianions. The two azaheptacenes are significantly more stable than reported examples. We identified their structure through NMR, IR, MS and X-ray crystallog... |
Jan 31, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - A: Synthesis
Hashmi, A. Stephen K.; Hüßler, Christopher; Kahle, Justin; Dietl, Martin C.; Krämer, Petra; Rominger, Frank; Rudolph, Matthias, 2024, "Facile two-step Synthesis of para-Dithienopyrazines [data]", https://doi.org/10.11588/data/14RXKL, heiDATA, V1
N-Heteropolycyclic compounds are valuable building blocks in organic electronic devices. In this work, a convenient route for the synthesis of para-dithienopyrazines from readily available starting materials is described. A cascade of nucleophilic aromatic substitution and subseq... |
Jan 25, 2024 - Bunz Group
Ludwig, Philipp; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F., 2024, "Stabilization of Acenes: “Geländer”-Pentacenes [data]", https://doi.org/10.11588/data/NITIKZ, heiDATA, V1
We report soluble tetrakis-biphenyl substituted pentacenes comprised of sp2 carbons and synthesized from pentacene-5,7,12,14-tetraone. Intramolecular Yamamoto coupling of two tetrakis(chlorobiphenylyl)pentacenes yields helical, doubly wrapped pentacenes, in which the quaterphenyl... |
Jan 22, 2024 - Bunz Group
Zeitter, Nico; Hippchen, Nikolai; Baur, Philipp; Unterreiner, Tamara; Freudenberg, Jan; Rominger, Frank; Bunz, Uwe, 2024, "Pentacene to Octacene: The Limit of Fourfold TIPS-Ethynylation [data]", https://doi.org/10.11588/data/DDJFGS, heiDATA, V1
Soluble acenes beyond hexacene are rare. Their sensitivity complicates isolation, purification and application in devices. To increase the stability of acenes, functionalization with trialkylsilylethynyl substituents prevents [4+4] dimerization and oxidation. At the same time suc... |
Zong, Wansheng; Hippchen, Nikolai; Dittmar, Benedikt; Elter, Maximilian; Ludwig, Philipp; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F., 2024, "Halogenated Phenazinothiadiazoles: Electron Transporting Materials [data]", https://doi.org/10.11588/data/PKX5CI, heiDATA, V1, UNF:6:M6UVaar224tmBy3Sj1o9jg== [fileUNF]
Triisopropylsilyl-(TIPS)-alkynylated phenazinothiadiazoles were prepared by the condensation of halogenated ortho-quinones and TIPS-alkynylated 5,6-diamino-2,1,3-benzothiadiazole with different combinations of halogen substituents. The compounds pack in brickwall motif of head-to... |
Jan 2, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure
Wirsing, Sara; Hänsel, Marc; Craciunescu, Luca; Belova, Valentina; Schreiber, Frank; Broch, Katharina; Engels, Bernd; Tegeder, Petra, 2024, "Adsorption Structures Affecting the Electronic Properties and Photoinduced Charge Transfer at Perylene-Based Molecular Interfaces [Data]", https://doi.org/10.11588/data/DYTW8A, heiDATA, V1
Underlying data for figures in the paper "Adsorption Structures Affecting the Electronic Properties and Photoinduced Charge Transfer at Perylene-Based Molecular Interfaces" |
Dec 7, 2023 - HITS MBM
Riedmiller, Kai; Reiser, Patrick; Bobkova, Elizaveta; Maltsev, Kiril; Gryn’ova, Ganna; Friederich, Pascal; Gräter, Frauke, 2023, "Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins [data]", https://doi.org/10.11588/data/TGDD4Y, heiDATA, V2
Hydrogen atom transfer (HAT) reactions are important in many biological systems. As these reactions are hard to observe experimentally, it is of high interest to shed light on them using simulations. Here, we present a machine learning model based on graph neural networks for the... |
