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1 to 10 of 23 Results
Apr 16, 2024 - SFB 1249: N-Heteropolyzyklen als Funktionsmaterialien - B: Theory & Structure
Dreuw, Andreas; Tegeder, Petra, 2024, "Influence of N-introduction on the electronic structure and properties of polyacenes: experiment and quantum chemistry in concert [research data]", https://doi.org/10.11588/data/FEQZX9, heiDATA, V1
N-Heteropolycycles (NHPCs) represent a promising substance class for applications in functional organic materials, since their electronic structure and the resulting individual molecular properties are efficiently tuneable by number and position of nitrogen atoms in the aromatic... |
Mar 4, 2024 - 3D Matter Made to Order (3DMM2O)
Catt, Samantha; Hackner, Maximillian; Spatz, Joachim P.; Blasco, Eva, 2024, "Macromolecular Engineering: From Precise Macromolecular Inks to 3D Printed Microstructures [data]", https://doi.org/10.11588/data/T2SJZC, heiDATA, V1
Macromolecules with complex, defined structures exist in nature but rarely is this degree of control afforded in synthetic macromolecules. Sequence-defined approaches provide a solution for precise control of the primary macromolecular structure. Despite a growing interest, very... |
Pham, Truc Lam; Fazliev, Sunnatullo; Baur, Philipp; Comba, Peter; Thomas, Franziska, 2024, "An Engineered β-Hairpin Peptide Forming Thermostable Complexes with ZnII, NiII, and CuII through a His3 Site [Research Data]", https://doi.org/10.11588/data/SIESG0, heiDATA, V1
The three-dimensional structure of a peptide, which determines its function, can denature at elevated temperatures, in the presence of chaotropic reagents, or in organic solvents. These factors limit the applicability of peptides. Herein, we present an engineered β-hairpin peptid... |
Illig, Maja; Jahnke, Kevin; Weise, Lukas P.; Scheffold, Marlene; Mersdorf, Ulrike; Drechsler, Hauke; Zhang, Yixin; Diez, Stefan; Kierfeld, Jan; Göpfrich, Kerstin, 2024, "Triggered contraction of self-assembled micron-scale DNA nanotube rings [Research Data]", https://doi.org/10.11588/data/ADYUNN, heiDATA, V1, UNF:6:AJdXI51lTUqvs4V/XCVPZQ== [fileUNF]
Contractile rings formed from cytoskeletal filaments mediate the division of cells. Ring formation is induced by specific crosslinkers, while contraction is typically associated with motor protein activity. Here, we engineer DNA nanotubes as mimics of cytoskeletal filaments and a... |
Feb 16, 2024 - 3D Matter Made to Order (3DMM2O)
Taale, Mohammadreza, 2024, "A Minimalistic, Synthetic Cell-Inspired Metamaterial for Enabling Reversible Strain-Stiffening [data]", https://doi.org/10.11588/data/MNMLVX, heiDATA, V1
Strain-stiffening, i.e. the nonlinear stiffening of a material in response to a strain, is an intrinsic feature of many biological systems, including skin, blood vessels, and single cells. To avoid a mismatch in mechanical properties, synthetic materials in contact with such biol... |
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... |
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... |
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... |
Oct 13, 2023 - Blasco Group
Klee, Pia S.; Vazquez-Martel, Clara; Florido Martins, Lilliana; Blasco, Eva, 2023, "Designing Sustainable Polymers: Lactate Esters for 3D Printing and Upcycling [data]", https://doi.org/10.11588/data/NUIXMG, heiDATA, V1
The search for sustainable polymer systems is key to tackling the current climate crisis. However, the use of bio-based polymers does not suffice to achieve this goal. Additionally, new chemical approaches enabling the re- or upcycling of polymer materials need to be explored. He... |
Aug 23, 2023 - Institute of Organic Chemistry - AK Mastalerz
Holsten, Mattes; Elbert, Sven Michael; Rominger, Frank; Zhang, Wen-Shan; Schröder, Rasmus R.; Mastalerz, Michael, 2023, "Single Crystals of Insoluble Porous Salicylimine Cages [Data]", https://doi.org/10.11588/data/45FZRY, heiDATA, V1
Porous organic cages (POCs) are meanwhile an established class of porous materials. Most of them are soluble to a certain extend and thus processable in or from solution. However, a few of larger salicylimine cages were reported to be insoluble in any organic solvents and thus ch... |
