Publications by authors named "A Yu Krylov"

A novel molecular structure that bridges the fields of molecular optical cycling and molecular photoswitching is presented. It is based on a photoswitching molecule azobenzene functionalized with one and two CaO- groups, which can act as optical cycling centers (OCCs). This paper characterizes the electronic structure of the resulting model systems, focusing on three questions: (1) how the electronic states of the photoswitch are impacted by a functionalization with an OCC; (2) how the states of the OCC are impacted by the scaffold of the photoswitch; and (3) whether the OCC can serve as a spectroscopic probe of isomerization.

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Two-dimensional materials with new physical phenomena are gaining popularity due to their unique properties. In recent years, a new family of layered compounds inspired by the minerals valleriite and tochilinite which are composed of alternating quasi-atomic sheets of transition metal chalcogenides (sulfides and selenides of Fe, Fe-Cu and other metals) and hydroxides of Mg, Al, Fe, Li, ., assembled electrostatic interaction, has arisen as a new synthetic platform for 2D materials.

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One of the most important areas of application for equation-of-motion coupled-cluster (EOM-CC) theory is the prediction, simulation, and analysis of various types of electronic spectra. In this work, the EOM-CC method for ionized states, known as EOM-IP-CC, is applied to the closely lying and coupled pair of states of the ozone cation─ and ─using highly accurate treatments including up to the full single, double, triple, and quadruple excitations (EOM-IP-CCSDTQ). Combined with a venerable and powerful method for calculating vibronic spectra from the Hamiltonian produced by EOM-IP-CC calculations, the simulations yield a spectrum that is in good agreement with the photoelectron spectrum of ozone.

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We demonstrate generation of both 17 fs ultrashort pulses and 862 nm spanning supercontinuum (SC) directly from an erbium-doped fiber (EDF) oscillator, utilizing extra-cavity management of nonlinearity and second-order dispersion using a combination of commercially available SMF-28 and specially developed homemade fiber with anomalous dispersion and enhanced nonlinearity. The simple but accurately designed fiber ring laser, passively mode-locked by nonlinear polarization evolution, offers a self-starting pulse generation with a dechirped duration of 51.8 fs as well as a 19.

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Background: Metabolic dysfunction-associated steatotic liver disease (MASLD) is strongly associated with obesity. Sex and age affect MASLD prevalence and pathophysiology. The use of animal models fed Western-style diets is vital for investigating the molecular mechanisms contributing to metabolic dysregulation and for facilitating novel drug target identification.

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