We extended previously recorded infrared spectra of singly deuterated hydrogen peroxide (HOOD) to the submm-wavelength region and derived accurate molecular parameters and a semi-empirical equilibrium structure. In total, more than 1500 ro-torsional HOOD transitions have been assigned between 6 and 120 cm$^{-1}$. We succeeded to analyze the accidental interaction between the torsional sub-states by measuring several perturbed transitions. In addition to the set of Watsonian parameters for each tunneling component, only two interaction constants were required to describe the spectrum. The $K_a$- and $J$-dependance of the torsional splitting could be determined also for the perturbed states.
Ion beam therapy is one of the most progressive methods in cancer treatment. Studies of the water radiolysis process show that the most long-living species that occur in the medium of a biological cell under the action of ionizing irradiation are hydrogen peroxide (H$_2$O$_2$) molecules. But the role of H$_2$O$_2$ molecules in the DNA deactivation of cancer cells in ion beam therapy has not been determined yet. In the present paper, the competitive interaction of hydrogen peroxide and water molecules with atomic groups of non-specific DNA recognition sites (phosphate groups PO$_4$) is investigated. The interaction energies and optimized spatial configurations of the considered molecular complexes are calculated with the help of molecular mechanics method and quantum chemistry approach. The results show that the H$_2$O$_2$ molecule can form a complex with the PO$_4$ group (with and without a sodium counterion) that is more energetically stable than the same complex with the water molecule. Formation of such complexes can block genetic information transfer processes in cancer cells and can be an important factor during ion beam therapy treatment.
Being a general wave phenomenon, bound states in the continuum (BICs) appear in acoustic, hydrodynamic, and photonic systems of various dimensionalities. Here, we report the first experimental observation of an accidental electromagnetic BIC in a one-dimensional periodic chain of coaxial ceramic disks. We show that the accidental BIC manifests itself as a narrow peak in the transmission spectra of the chain placed between two loop antennas. We demonstrate a linear growth of the radiative quality factor of the BICs with the number of disks that is well-described with a tight-binding model. We estimate the number of the disks when the radiation losses become negligible in comparison to material absorption and, therefore, the chain can be considered practically as infinite. The presented analysis is supported by near-field measurements of the BIC profile. The obtained results provide useful guidelines for practical implementations of structures with BICs opening new horizons for the development of radio-frequency and optical metadevices.
We demonstrate that mechanical waves traveling in a torsional, mechanical wave machine exhibit dispersion due to gravity and the discreteness of the medium. We also show that although the dispersion due to discreteness is negligible, the dispersion due to gravity can be easily measured, and can be shown to disappear in a zero-gravity environment.
The non-relativistic hydrogen atom enjoys an accidental $SO(4)$ symmetry, that enlarges the rotational $SO(3)$ symmetry, by extending the angular momentum algebra with the Runge-Lenz vector. In the relativistic hydrogen atom the accidental symmetry is partially lifted. Due to the Johnson-Lippmann operator, which commutes with the Dirac Hamiltonian, some degeneracy remains. When the non-relativistic hydrogen atom is put in a spherical cavity of radius $R$ with perfectly reflecting Robin boundary conditions, characterized by a self-adjoint extension parameter $gamma$, in general the accidental $SO(4)$ symmetry is lifted. However, for $R = (l+1)(l+2) a$ (where $a$ is the Bohr radius and $l$ is the orbital angular momentum) some degeneracy remains when $gamma = infty$ or $gamma = frac{2}{R}$. In the relativistic case, we consider the most general spherically and parity invariant boundary condition, which is characterized by a self-adjoint extension parameter. In this case, the remnant accidental symmetry is always lifted in a finite volume. We also investigate the accidental symmetry in the context of the Pauli equation, which sheds light on the proper non-relativistic treatment including spin. In that case, again some degeneracy remains for specific values of $R$ and $gamma$.
Deuterated molecules are good tracers of the evolutionary stage of star-forming cores. During the star formation process, deuterated molecules are expected to be enhanced in cold, dense pre-stellar cores and to deplete after protostellar birth. In this paper we study the deuteration fraction of formaldehyde in high-mass star-forming cores at different evolutionary stages to investigate whether the deuteration fraction of formaldehyde can be used as an evolutionary tracer. Using the APEX SEPIA Band 5 receiver, we extended our pilot study of the $J$=3$rightarrow$2 rotational lines of HDCO and D$_2$CO to eleven high-mass star-forming regions that host objects at different evolutionary stages. High-resolution follow-up observations of eight objects in ALMA Band 6 were performed to reveal the size of the H$_2$CO emission and to give an estimate of the deuteration fractions HDCO/H$_2$CO and D$_2$CO/HDCO at scales of $sim$6 (0.04-0.15 pc at the distance of our targets). Our observations show that singly- and doubly deuterated H$_2$CO are detected toward high-mass protostellar objects (HMPOs) and ultracompact HII regions (UCHII regions), the deuteration fraction of H$_2$CO is also found to decrease by an order of magnitude from the earlier HMPO phases to the latest evolutionary stage (UCHII), from $sim$0.13 to $sim$0.01. We have not detected HDCO and D$_2$CO emission from the youngest sources (high-mass starless cores, HMSCs). Our extended study supports the results of the previous pilot study: the deuteration fraction of formaldehyde decreases with evolutionary stage, but higher sensitivity observations are needed to provide more stringent constraints on the D/H ratio during the HMSC phase. The calculated upper limits for the HMSC sources are high, so the trend between HMSC and HMPO phases cannot be constrained.