BaVS3 probed by V L edge x-ray absorption spectroscopy
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Enantiopure 1,3-diethynylallenes were used as monomers in the construction of monodisperse oligomers and cyclooligomers. The open-chain structures show a non-linear increase in the intensity of the chiroptical properties as the no. of monomeric units incre ...
The conformations of a number of M2TMP-(22-46) sequence variants have been investigated using ion mobility spectrometry (IMS). Substantial conformational changes were evidenced by IMS upon the variation of a single amino acid in the peptide sequence, with ...
The measurement of circular dichroism in the electron microscope is a new, emerging method and, as such, it is subject to constant refinement and improvement. Different ways can be envisaged to record the signal. We present an overview of the key steps in ...
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Coupling fast triplet-triplet energy transfer (TTET) between xanthone and naphthylalanine to the helix-coil equilibrium in alanine-based peptides allowed the observation of local equilibrium fluctuations in alpha-helices on the nanoseconds to microseconds ...
Quantum chemical methods are important tools for the predictions of electronic structure and energetics of molecules providing the interpretation of spectroscopic experiments and reaction mechanisms. In this thesis, density functional theory (DFT) and wave ...
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Molecular dynamics (MD) simulations have increasingly contributed to the understanding of biomolecular processes, allowing for predictions of thermodynamic and structural properties. Unfortunately, the holy grail of protein structure prediction was soon fo ...
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The authors measured the elec. field induced linear dichroism for a wide range of sizes of CdSe nanocrystals. Large ground-state dipole moments were obsd., esp. for the smallest crystals. In these, the authors found a very large anisotropy of the absorptio ...