We have measured the intramolecular diffusion rate between distant residues in the aggregation-prone protein HypF-N under various denaturing conditions. Using the method of cysteine quenching of the tryptophan triplet state, we find that intramolecular diffusion remains roughly constant at high concentrations of denaturant (2-6 M GdnHCl) and slows down at low concentrations of denaturant, but the decrease is not uniform throughout the chain. Extrapolation of these measurements to 0 M GdnHCl gives D approximately 10(-7) cm(2) s(-1), about 1 order of magnitude lower than unstructured peptides and at least 2 orders of magnitude higher than well-behaved proteins. This suggests that there is a dynamic range of conformational reorganization within which partially unfolded states are prone to aggregation.
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http://dx.doi.org/10.1021/jp904189b | DOI Listing |
Sci Rep
January 2025
Condensed Matter Physics & Nanoscience Research Laboratory, Department of Physics and Material Science, Madan Mohan Malaviya University of Technology, Gorakhpur, 273010, U.P, India.
Sci Adv
December 2024
Laboratoire des Biomolécules, LBM, Département de Chimie, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France.
Dynamic nuclear polarization (DNP) enhances nuclear magnetic resonance (NMR) sensitivity by transferring polarization from unpaired electrons to nuclei, but nearby nuclear spins are difficult to detect or "hidden" due to strong electron-nuclear couplings that hypershift their NMR resonances. Here, we detect these hypershifted spins in a frozen glycerol-water mixture doped with TEMPOL at ~1.4 K using spin diffusion enhanced saturation transfer (SPIDEST), which indirectly reveals their spectrum.
View Article and Find Full Text PDFACS Phys Chem Au
November 2024
Department of Chemistry, University of Sheffield. Sheffield S3 7HF, U.K.
Donor-bridge-acceptor complexes (D-B-A) are important model systems for understanding of light-induced processes. Here, we apply two-color two-dimensional infrared (2D-IR) spectroscopy to D-B-A complexes with a -Pt(II) acetylide bridge (D-C≡C-Pt-C≡C-A) to uncover the mechanism of vibrational energy redistribution (IVR). Site-selective C isotopic labeling of the bridge is used to decouple the acetylide modes positioned on either side of the Pt-center.
View Article and Find Full Text PDFOrg Biomol Chem
January 2025
School of Chemistry & School of Life Science and Engineering, Southwest Jiaotong University, Chengdu 610031, People's Republic of China.
A new fluorescent probe (SWJT-32) with a large Stokes shift was designed and synthesized with 2-(2-hydroxyphenyl)-4(1)-quinazolinone (HPQ) as the skeleton and ,-dimethylthiocarbamate as the recognition site. It can detect hypochlorite ions (ClO) through fluorescence spectroscopy based on the excited-state intramolecular proton transfer (ESIPT) and intramolecular charge transfer (ICT) mechanism. The probe has the advantages of strong diffusion resistance, good photostability and selectivity, and high imaging contrast, and can be used for the detection of ClO.
View Article and Find Full Text PDFJ Chem Phys
November 2024
Department of Engineering Mechanics, Zhejiang University, Hangzhou 310027, People's Republic of China.
Interfacial fluids are ubiquitous in systems ranging from biological membranes to chemical droplets and exhibit a complex behavior due to their nonlinear, multiphase, and multicomponent nature. The development of accurate coarse-grained (CG) models for such systems poses significant challenges, as these models must effectively capture the intricate many-body interactions, both inter- and intramolecular, arising from atomic-level phenomena, and account for the diverse density distributions and fluctuations at the interface. In this study, we use advanced machine learning techniques incorporating force matching and diffusion probabilistic models to construct a robust CG model of interfacial fluids.
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