Unlike many known amphiphiles, the fluorinated amphiphilic dendrimer studied in this work demonstrated a concentration-dependent conformational transition rather than micellization or assembly. Hydrophobic and hydrophilic interactions with water were suggested as the most probable driving force of this transition. This assumption was consistent with the observed F chemical shift changes of the dendrimer compared to a known micelle-forming fluorinated amphiphile. Since water is an important factor in the process, trends of the concentration-dependent changes in water proton transverse relaxation rate served as an indicator of structural changes and/or supramolecular assembly. The conformational transition process was also confirmed by ion-mobility mass-spectrometry. We suggested that structural features, namely, steric hindrances, prevented the micellization/assembly of the dendrimer of this study. This conclusion might inform the approach to develop novel unconventional amphiphiles.
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http://dx.doi.org/10.1039/c8ra08795d | DOI Listing |
Chembiochem
December 2024
Nankai University, Analytical Sciences, No. 94, Weijin Road, 300071, Tianjin, CHINA.
Smart shape-memory DNA hydrogels, which can respond to various types of external stimuli and undergo macroscopic shape deformations, have shown great potential in various applications. By constructing free-standing films, the deformation and response properties of these hydrogels can be further enhanced, and visualized deformation can be achieved. However, DNA hydrogels that can exhibit rapid and high-degree shape deformations, such as the inverse shape deformations, are still lacking.
View Article and Find Full Text PDFJ Chem Phys
December 2024
Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2, Canada.
The rotational spectra of a mixture of 2,4-pentanediol (PDL) isomers, comprising both the meso isomers [(2R, 4S) and (2S, 4R)] and the racemic isomers [(2R, 4R) and (2S, 4S)], were recorded using a chirped-pulse Fourier transform microwave spectrometer coupled to a supersonic jet expansion. The conformational landscapes of meso- and racemic-PDL were examined using the Conformer-Rotamer Ensemble Sampling Tool and high-level quantum chemical calculations, generating 26 and 25 conformers, respectively. Five sets of rotational transitions were observed and assigned, with two attributed to meso-PDL and the remaining three attributed to racemic-PDL.
View Article and Find Full Text PDFACS Omega
December 2024
Center for Quantum Information and Quantum Biology, Osaka University, Toyonaka, Osaka 560-0043, Japan.
Photosynthetic water oxidation is a vital process responsible for producing dioxygen and supplying the energy necessary to sustain life on Earth. This fundamental reaction is catalyzed by the oxygen-evolving complex (OEC) of photosystem II, which houses the MnCaO cluster as its catalytic core. In this study, we specifically focus on the D1-Glu189 amino acid residue, which serves as a direct ligand to the MnCaO cluster.
View Article and Find Full Text PDFA critical step in infections is the attachment of many microorganisms to host cells using lectins that bind surface glycans, making lectins promising antimicrobial targets. Upon binding mannosylated glycans, FimH, the most studied lectin adhesin of type 1 fimbriae in , undergoes an allosteric transition from an inactive to an active conformation that can act as a catch-bond. Monoclonal antibodies that alter FimH glycan binding in various ways are available, but the mechanisms of these antibodies remain unclear.
View Article and Find Full Text PDFG protein-coupled receptor (GPCR) signaling is terminated by arrestin binding to a phosphorylated receptor. Binding propensity has been shown to be modulated by stabilizing the pre-activated state of arrestin through point mutations or C-tail truncation. Here, we hypothesize that pre-activated rotated states can be stabilized by small molecules, and this can promote binding to phosphorylation-deficient receptors, which underly a variety of human disorders.
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