Dipolar pathways in dipolar EPR spectroscopy

Dipolar electron paramagnetic resonance (EPR) experiments such as double electron--electron resonance (DEER) measure distributions of nanometer-scale distances between unpaired electrons, which provide valuable information for structural characterization of proteins and...

Ab Initio Study of Single- and Double-Electron Capture Processes in Collisions of He2+ Ions and Ne Atoms

The single- and double-electron capture (SEC, DEC) processes of He2+ ions colliding with Ne atoms are studied by utilizing the full quantum-mechanical molecular-orbital close-coupling method. Total and state-selective SEC and DEC cross sections are presented in the energy region of 2 eV/u to 20 keV/u. Results show that the dominant reaction channel is Ne+(2s2p 6 2 S) + He+(1s) in the considered energy region due to strong couplings with the initial state Ne(2s 22p 6 1 S) + He2+ around the internuclear distance of 4.6 a.u. In our calculations, the SEC cross sections decrease initially and then increase whereby, the minimum point is around 0.38 keV/u with the increase of collision energies. After considering the effects of the electron translation factor (ETF), the SEC cross sections are increased by 15%–25% nearby the energy region of keV/u and agree better with the available results. The DEC cross sections are smaller than those of SEC because of the larger energy gaps and no strong couplings with the initial state. Due to the Demkov-type couplings between DEC channel Ne2+(2s22p 4 1 S) + He(1s 2) and the dominating SEC channel Ne+(2s2p 6 2 S) + He+(1s), the DEC cross sections increase with increasing impact energies. Good consistency can also be found between the present DEC and the experimental measurements in the overlapping energy region.

Neutralizing antibodies induced in immunized macaques recognize the CD4-binding site on an occluded-open HIV-1 envelope trimer

Broadly-neutralizing antibodies (bNAbs) against HIV-1 Env can protect from infection. We characterized Ab1303 and Ab1573, neutralizing CD4-binding site (CD4bs) antibodies, isolated from sequentially-immunized macaques. Ab1303/Ab1573 binding was observed only when Env trimers were not constrained in the closed, prefusion conformation. Fab-Env cryo-EM structures showed that both antibodies recognized the CD4bs on Env trimer with an occluded-open conformation between closed, as targeted by bNAbs, and fully-open, as recognized by CD4. The occluded-open Env trimer conformation included outwardly-rotated gp120 subunits, but unlike CD4-bound Envs, did not exhibit V1V2 displacement, co-receptor binding site exposure, or a 4-stranded gp120 bridging sheet. Inter-protomer distances within trimers measured by double electron-electron resonance spectroscopy suggested an equilibrium between occluded-open and closed Env conformations, consistent with Ab1303/Ab1573 binding stabilizing an existing conformation. Studies of Ab1303/Ab1573 demonstrate that CD4bs neutralizing antibodies that bind open Env trimers can be raised by immunization, thereby informing immunogen design and antibody therapeutic efforts.

Assessment and Application of Modified Cationic Polyvinyl Alcohol Emulsifiers in Bitumen Emulsions

In this work, a series of emulsifiers were prepared by changing the molar ratio of polyvinyl alcohol (PVA) to the long chain quaternary ammonium salt (A0). The emulsifiers were characterised by FTIR and 1HNMR. The stability of the emulsions was checked and evaluated by determining the phase separation and by UV-Vis spectrophotometry. The emulsion stability increased with increasing emulsifier concentration, which was mainly due to the reduced droplet size and increased viscosity of the emulsions. Stability was also dependent on pH. At pH values between 5 to 3, stability was increased, but at further decreasing pH values, the emulsion became unstable or the emulsion separated. This could be mainly because the excess of positive ions compresses the double electron layer. The experimental results showed that PVA as a macromolecular matrix material has a great application potential for the emulsification process.