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s.In this review, we cover the topic of p(NIPAM) based microgels at interfaces, revisiting classical studies in light of the newest ones. In particular, we focus on their use as emulsifiers in the so-called mickering emulsions, i.e. Pickering emulsion stabilized by soft particles. Given the complexity of the experimental characterization and simulation of these soft particles at interfaces, the review is structured in progressive complexity levels, until we reach the highly interesting and promising responsiveness to stimuli of mickering emulsions. We start from the lowest level of complexity, the current understanding of the behavior of single microgels confined at a flat interface. Then, we discuss their collective behavior upon crowding, their responsiveness at interfaces, and their macroscopic properties as microgel films. Once we have the necessary characterization tools, we proceed to discuss the complex and convoluted picture of responsive mickering emulsions. The way is rough, with current controversial and contradicting studies, but it holds promising results as well. We state open questions worth of being tackled by the Soft Matter community, and we conclude that it is worth the trouble of continuing after the master theory of microgel interfacial activity, as it will pave the way to widely adopt responsive mickering emulsions as the worthy Pickering emulsion successors.The ability to update responding to threat cues is an important adaptive ability. Recently, Morriss et al. (2019) demonstrated that participants scoring high in Intolerance of Uncertainty (IU) were more capable of threat reversal. The current report aimed to conceptually replicate these results of Morriss et al. (2019) in an independent sample using a comparable paradigm (n = 102). Following a threat conditioning phase, participants were told that cues associated with threat and safety from electric shock would reverse. Responding was measured with skin conductance and fear potentiated startle. We failed to conceptually replicate the results of Morriss et al. (2019). Instead, we found that, for participants who received precise contingency instructions prior to acquisition, lower IUS (controlling for STAI-T) relative to higher IUS was associated with greater threat reversal, indexed via skin conductance responses. These results suggest that IU and contingency instructions differentially modulate the course of threat reversal.Parkinson's disease is characterized by the intracellular accumulation of α-synuclein (α-syn) amyloid fibrils, which are insoluble, β-sheet-rich protein aggregates. Raman spectroscopy is a powerful technique that reports on intrinsic molecular vibrations such as the coupled vibrational modes of the polypeptide backbone, yielding secondary structural information. However, in order to apply this method in cells, spectroscopically unique frequencies are necessary to resolve proteins of interest from the cellular proteome. Here, we report the use of 13C2H15N-labeled α-syn to study the localization of preformed fibrils fed to cells. Isotopic labeling shifts the amide-I (13CO) band away from endogenous 12CO vibrations, permitting secondary structural analysis of internalized α-syn fibrils. Similarly, 13C2H stretches move to lower energies in the "cellular quiet" region, where there is negligible biological spectral interference. This combination of well-resolved, distinct vibrations allows Raman spectral imaging of α-syn fibrils across a cell, which provides conformational information with spatial context.In this paper, we report structural, electronic and optical properties of cubane (C8H8) and cubanoids (cubane-like molecules) using Density Functional Theory (DFT). find more The cubanoids are cubanes for which Carbon atoms have been substituted by Nitrogen (N), Phosphorus (P), Boron (B), Silicon (Si), Arsenic (As), Antimony (Sb) or Bismuth (Bi) atoms. These molecules presented exceptional stability with several different symmetry point groups, being the majority Td. All calculated vibrational frequencies are positive for any studied molecules indicating that all these structures are in a stable state. The HOMO-LUMO gaps and DOS were calculated converged towards to values between 1.87 eV and 5.61 eV, actually showing promising electronic properties (Just for comparison, the cubane energy gap is 7.50 eV). The optical absorptions were also calculated for the cubanoid structure using the Time-Dependent Density Functional Theory (TD-DFT). Their dependence on the wavelength is analyzed, where five of theses structures absorb on the visible region. Finally, the extrapolation of thermodynamic properties indicates that these cubanoid could be potentially synthesized spontaneously, where four structures, the synthesis would occur for temperatures below 400 K, while for Si4Bi4H4 structure, the synthesis would occur at room temperature.HIV-1 protease is an essential enzyme in the life cycle of human immunodeficiency virus (HIV) and hence is one of the most important targets for antiviral drug design. Although there are ten FDA approved drugs against HIV protease (PR), their long term usage elicits mutations leading to drug resistance. As a result, novel therapeutic approaches are being explored including synthetic antibodies. Recently, a murine monoclonal antibody, mAB1696 (mAB) was reported to inhibit PR by preventing dimerization. Crystallographic data could reveal only six protease residues that interact with mAB. The present study employs a range of computational techniques, starting from protein-protein docking to all-atomic molecular dynamics simulations to generate plausible 3D structures of PR-mAB complex. Results show that mAB interacts very strongly with several PR dimer interface residues, such as Gln7, Arg8 (N-terminal), Cys95, Leu97 (C-terminal), Thr26, Gly27 (active site), Gly49, Ile50 (flap), apart from its interactions with the PR epitope region, Pro1-Trp6 (N-terminal). These observations support the hypothesis that binding of mAB prevents the dimerization of PR. The interactions and binding conformations identified in this study could form the basis for designing allosteric inhibitors preventing the dimerization of HIV-1 Protease.
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