A clever combination: an in situ solid-state NMR analysis of CsmA proteins in the heterogeneous environment of the photoreceptor of Chlorobaculum tepidum is reported. Using different combinations of 2D and 3D solid-state NMR spectra, 90 % of the CsmA resonances are assigned and provide on the basis of chemical shift data information about the structure and conformation of CsmA in the CsmA-bacteriochlorophyll a complex.

Download full-text PDF

Source
http://dx.doi.org/10.1002/anie.201201160DOI Listing

Publication Analysis

Top Keywords

solid-state nmr
12
chlorobaculum tepidum
8
in situ solid-state
4
nmr spectroscopy
4
spectroscopy protein
4
protein heterogeneous
4
heterogeneous membranes
4
membranes baseplate
4
baseplate antenna
4
antenna complex
4

Similar Publications

2,4-Dichlorophenoxyacetic Acid in the Gas and Crystal Phases and Its Intercalation in Montmorillonite-An Experimental and Theoretical Study.

Molecules

January 2025

Instituto Andaluz de Ciencias de la Tierra (IACT-CSIC), Consejo Superior de Investigaciones Científicas, Av. de las Palmeras 4, 18100 Armilla, Granada, Spain.

Many properties of 2,4-dichlorophenoxyacetic acid (2,4-D) depend on its molecular environment, such as whether it is an isolated molecule, a dimer, or in a crystalline state. The molecular geometry, conformational analysis, and vibrational spectrum of 2,4-D were theoretically calculated using Density Functional Theory (DFT) methods. A new slightly more stable conformer was found, which is different to those previously reported.

View Article and Find Full Text PDF

NMR and MD Simulations of Non-Ionic Surfactants.

Molecules

January 2025

Department of Chemistry and Biochemistry, State University of New York Brockport, Brockport, NY 14420, USA.

Non-ionic surfactants are an important solvent in the field of green chemistry with tremendous application potential. Understanding their phase properties in bulk or in confined environments is of high commercial value. In recent years, the combination of molecular dynamics (MD) simulations with multinuclear solid-state NMR spectroscopy and calorimetric techniques has evolved into the most powerful tool for their investigation.

View Article and Find Full Text PDF

This work describes the synthesis of ordered 3D siloxane-silsesquioxane reticular materials with silicate D4R cubes (SiO), harvested from a sacrificial tetrabutylammonium cyclosilicate hydrate (TBA-CySH) precursor, interlinked with octyl and dicyclopentyl (Cp) hydrocarbon functionalities in a one-step synthesis with organodichlorosilanes. Advanced solid-state NMR spectroscopy allowed us to unravel the molecular order of the nodes and their interconnection by the silicone linkers. In the case of octyl-methyl silicone linkers, changing the silane-to-silicate ratio in the synthesis allowed for tuning the length of the linker between the nodes.

View Article and Find Full Text PDF

Comparative Structural and Biophysical Investigation of Toxin I (LyeTx I) and Its Analog LyeTx I-b.

Antibiotics (Basel)

January 2025

Departamento de Química, Faculdade de Ciências Exatas, Universidade Federal dos Vales do Jequitinhonha e Mucuri (UFVJM), Campus JK, Diamantina 39100-000, MG, Brazil.

This study investigates the structural and biophysical properties of the wild-type antimicrobial peptide LyeTx I, isolated from the venom of the spider , and its analog LyeTx I-b, designed to enhance antibacterial activity, selectivity, and membrane interactions by the acetylation and increased amphipathicty. : To understand the mechanisms behind these enhanced properties, comparative analyses of the structural, topological, biophysical, and thermodynamic aspects of the interactions between each peptide and phospholipid bilayers were evaluated. Both peptides were isotopically labeled with H-Ala and N-Leu to facilitate structural studies via NMR spectroscopy.

View Article and Find Full Text PDF

Ionothermal Synthesis of AmBOCl: A Chiral Cubic Americium Borate Cluster.

Inorg Chem

January 2025

Center for Hierarchical Waste Form Materials, University of South Carolina, Columbia, South Carolina 29208, United States.

Ionic liquids were used as low temperature solvents for the synthesis of new lanthanide and transuranic-element (TRU) borate cluster structures. Ionothermal synthesis with the ionic liquid [BMIm]Cl (1-butyl-3-methylimidazolium chloride) yielded the La, Nd, and Am containing phases LaBOCl, NdBOCl, and AmBOCl. The structures of the La, Nd, and Am borate clusters were determined by single crystal X-ray diffraction (SCXRD) and found to be cubic, in the chiral space group 23.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!