Polariton-assisted manipulation of energy relaxation pathways: donor–acceptor role reversal in a tuneable microcavity

Resonant interaction between excitonic transitions of molecules and localized electromagnetic field allows the formation of hybrid light–matter polaritonic states. This hybridization of the light and the matter states has been shown to significantly alter the intrinsic properties of molecular ensembles placed inside the optical cavity. Here, we have observed strong coupling of excitonic transition in a pair of closely located organic dye molecules demonstrating an efficient donor-to-acceptor resonance energy transfer with the mode of a tuneable open-access cavity. Analysing the dependence of the relaxation pathways between energy states in this system on the cavity detuning, we have demonstrated that predominant strong coupling of the cavity photon to the exciton transition in the donor dye molecule can lead not only to an increase in the donor–acceptor energy transfer, but also to an energy shift large enough to cause inversion between the energy states of the acceptor and the mainly donor lower polariton energy state. Furthermore, we have shown that the polariton-assisted donor–acceptor chromophores'' role reversal or “carnival effect” not only changes the relative energy levels of the donor–acceptor pair, but also makes it possible to manipulate the energy flow in the systems with resonant dipole–dipole interaction and direct energy transfer from the acceptor to the mainly donor lower polariton state. Our experimental data are the first confirmation of the theoretically predicted possibility of polariton-assisted energy transfer reversal in FRET systems, thus paving the way to new avenues in FRET-imaging, remote-controlled chemistry, and all-optical switching.

Polariton-assisted donor–acceptor role reversal in resonant energy transfer between organic dyes tagged with the terminus of the closed oligonucleotide-based molecular beacon strongly coupled to electromagnetic modes of a tuneable microcavity.     

Why density augmentation occurs in dilute supercritical solutions

The conventional explanation of the density augmentation in a supercritical solvent, observed spectroscopically when a small amount of a solute was added, involved the clustering of the solvent about individual solute molecules. Here it is suggested that the augmentation is not caused by the solute, but rather it is due to the preexisting near critical fluctuations in the pure solvent and the preference of the solute for the high density regions of the supercritical solvent. It is also shown that the local composition of the solute molecules about a solute molecules is enhanced compared to its bulk composition.     

Analysis of Slightly Rough Thin Films by Optical Methods and AFM

 In this paper the analysis of a family of rough silicon single crystal surfaces covered with native oxide layers is performed using a combined optical method based on a multisample treatment of the experimental data obtained using variable angle of spectroscopic ellipsometry and near normal spectroscopic reflectometry. Within this analysis the values of the thicknesses of the native oxide layers are determined together with the values of statistical parameters of roughness, i.e. with the rms values of the heights and the values of the autocorrelation lengths, for all the samples studied. For interpreting experimental data the perturbation Rayleigh–Rice theory and scalar diffraction theory are employed. By means of the results of the analysis achieved using both the theories limitations of the validity of these theories is discussed. The correctness of the values of the statistical parameters determined using the optical method is verified using AFM measurements.     

Multi-Scale Finite-Volume Method for Elliptic Problems with Heterogeneous Coefficients and Source Terms

Simulation of sub-surface flow in geologically complex formations is just one example in computational science, where efficient and accurate solutions of heterogeneous elliptic problems are of great interest. Often it is not feasible to resolve the whole range of relevant length scales associated with the spatial distribution of the highly varying coefficients. The MSFV method was originally developed for multi-phase flow in porous media. In the more general form presented here, it can be applied for solving large elliptic problems in various areas of computational science. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Shock and traveling wave phenomena on an externally damped, non-linear string

We examine the propagation of shocks and traveling wave phenomena on a one-dimensional string that is executing finite-amplitude, transverse vibrations in a resisting medium. As part of our study, we develop an approach that allows us to describe, albeit approximately, the evolution and propagation of a shock front using analytical methods. In addition, exact traveling wave solutions, one of which involves the Lambert W-function, of the string's equation of motion are determined and analyzed. Lastly, a possible new form of the solution to the linearized problem is presented and extensions and other applications of the present work are briefly discussed.     

Interferometric ultrafast SOA-based optical switches: From devices to applications

All-optical switches are fundamental building blocks for future, high-speed optical networks that utilize optical time division multiplexing (OTDM) techniques to achieve single channel data rates exceeding 100 Gb/s. Interferometric optical switches using semiconductor optical amplifier (SOA) non-linearities perform efficient optical switching with < 500 fJ of control energy and are approaching optical sampling bandwidths of nearly 1 THz. In this paper, we review work underway at Princeton University to characterize and demonstrate these optical switches as processing elements in practical networks and systems. Three interferometric optical switch geometries are presented and characterized. We discuss limitations on the minimum temporal width of the switching window and prospects for integrating the devices. Using these optical switches as demultiplexers, we demonstrate two 100-Gb/s testbeds for photonic packet switching. In addition to the optical networking applications, we have explored simultaneous wavelength conversion and pulse width management. We have also designed high bandwidth sampling systems using SOA-based optical switches as analog optical sampling gates capable of analyzing optical waveforms with bandwidths exceeding 100 GHz. We believe these devices represent a versatile approach to all-optical processing as a variety of applications can be performed without significantly changing the device architecture.     

Novel Inhibitors of 2′-O-Methyltransferase of the SARS-CoV-2 Coronavirus

The COVID-19 pandemic is still affecting many people worldwide and causing a heavy burden to global health. To eliminate the disease, SARS-CoV-2, the virus responsible for the pandemic, can be targeted in several ways. One of them is to inhibit the 2′-O-methyltransferase (nsp16) enzyme that is crucial for effective translation of viral RNA and virus replication. For methylation of substrates, nsp16 utilizes S-adenosyl methionine (SAM). Binding of a small molecule in the protein site where SAM binds can disrupt the synthesis of viral proteins and, as a result, the replication of the virus. Here, we performed high-throughput docking into the SAM-binding site of nsp16 for almost 40 thousand structures, prepared for compounds from three libraries: Enamine Coronavirus Library, Enamine Nucleoside Mimetics Library, and Chemdiv Nucleoside Analogue Library. For the top scoring ligands, semi-empirical quantum-chemical calculations were performed, to better estimate protein–ligand binding enthalpy. Relying upon the calculated binding energies and predicted docking poses, we selected 21 compounds for experimental testing.     

Virtual Screening and Hit Selection of Natural Compounds as Acetylcholinesterase Inhibitors

Acetylcholinesterase (AChE) is one of the classical targets in the treatment of Alzheimer’s disease (AD). Inhibition of AChE slows down the hydrolysis of acetycholine and increases choline levels, improving the cognitive function. The achieved success of plant-based natural drugs acting as AChE inhibitors, such as galantamine (GAL) from Galanthus genus and huperzine A from Huperzia serrate (approved drug in China), in the treatment of AD, and the fact that natural compounds (NCs) are considered as safer and less toxic compared to synthetic drugs, led us to screen the available NCs (almost 150,000) in the ZINC12 database for AChE inhibitory activity. The compounds were screened virtually by molecular docking, filtered for suitable ADME properties, and 32 ligands from 23 structural groups were selected. The stability of the complexes was estimated via 1 μs molecular dynamics simulation. Ten compounds formed stable complexes with the enzyme and had a vendor and a reasonable price per mg. They were tested for AChE inhibitory and antioxidant activity. Five compounds showed weak AChE inhibition and three of them exhibited high antioxidant activity.