Bring the Sunshine Indoors: Easy Dosimetry for Indoor Daylight Photodynamic Therapy

Daylight photodynamic therapy (DPDT) is an effective and patient preferred treatment for the management of field change actinic keratosis. An important factor in DPDT is light dosimetry, to ensure that patients receive sufficient daylight for effective treatment, and this is the focus of the contribution to this issue by (La Rochelle et al. [2019] Photochem. Photobiol., https://doi.org/10.1111/php.13170 ). In this work, the authors present an easy-to-use method for obtaining real-time information about patient received light dose during treatment and for determining indoor locations best suited to DPDT.     

Differential Graded Bocses and A ∞ $A_{\infty }$ -Modules

Algebras and Representation Theory - We introduce and study the category of twisted modules over a triangular differential graded bocs. We show that in this category idempotents split, that it...     

Step cost functions in a fleet size and mix vehicle routing problem with time windows

Annals of Operations Research - The vehicle routing problem is a traditional combinatorial problem with practical relevance for a wide range of industries. In the literature, several specificities...     

On Anomalous Dissipation in the Plasma of the Dusty Lunar Exosphere

JETP Letters - One of the main features of the dusty plasma compared to the conventional plasma (without charged dust particles is anomalous dissipation that is caused by the charging of dust...     

Function of the Non-Crystalline X-Ray Amorphous Phase of Highly Dispersed Powder of CaO in Adsorption of CO2 and H2O

Russian Journal of General Chemistry - Highly dispersed CaO has been synthesized by heating an aqueous solution of calcium nitrate and D-glucose up to 800°C. Calcium oxide is formed with an...     

Shock waves in gas flows with nanoparticles

Journal of Thermal Analysis and Calorimetry - The paper focuses on the analytical analysis of the propagation of a normal shock wave in an adiabatic gas flow with nanoparticles. A modified...     

Minimal Contact Circuits for a Sequence of Boolean Functions

Mathematical Notes -     

Formation and pharmacological activity of silicon—chitosan-containing glycerohydrogels obtained by biomimetic mineralization

The biomimetic sol—gel synthesis of silicon—chitosan-containing glycerohydrogels was carried out using silicon tetraglycerolate as a precursor. It was found that chitosan accelerates gel formation in weakly acidic media. In more acidic media, the kinetics of the process changes according to the curve with a maximum, which can be attributed to different mechanisms of silanol condensation before and after the isoelectric point. The investigated silicon—chitosan-containing glycerohydrogels exhibit antibacterial, anti-inflammatory, and wound healing activity. The synthesized hybrid glycerohydrogels are promising materials for biomedical applications.     

13C NMR investigations of molecular order of rod-like,bent-core,and thiophene mesogens

In this review, methods to obtain the orientational order of topologically variant molecular mesogens using by one- and two-dimensional (2D) solid-state ¹³C nuclear magnetic resonance (NMR) spectroscopy are described. Besides ¹³C chemical shifts, the ¹³C─¹H dipolar couplings measured from 2D-separated local field (SLF) technique are used for computing the order parameters of a variety of mesogens. The investigated molecules are composed of a variable number of rings in the core, that is, core ranging from simply one ring to five rings. Among the mesogens investigated, a special focus has been placed on mesogens with thiophene rings, which are gaining popularity as liquid crystalline organic semiconductors. The replacement of a phenyl ring by thiophene in the core has a dramatic influence on molecular topology, as observed from the measured order parameters. The review highlights the advantages of the 2D SLF method for understanding the local dynamics and for mapping the topology of mesogens through the measured order parameters. SLF NMR studies of as many as 24 molecular mesogens that vary in terms of the molecular structure as well as topology are covered in the review. Order parameters of the rings have been estimated from the ¹³C─¹H dipolar couplings in the nematic, smectic A, smectic C, and tilted hexatic phases as well as in B₁ and B₂ mesophases of various mesogens. It is anticipated that, in the years to come, the 2D SLF method would provide advanced molecular information on structurally complex mesogens that are emerging in liquid crystal science through the incessant efforts of synthetic chemists. The mini review covers the orientational order of topologically variant molecular mesogens determined by 1D and 2D solid-state ¹³C NMR spectroscopy. Accordingly, rod-like, bent-core, and thiophene mesogens were subjected to 2D SLF measurements to get the order parameters from which the topology was established. The replacement of phenyl ring by thiophene and its influence on order parameters as well as on molecular topology is also discussed.     

What is the form of muscimol from fly agaric mushroom (Amanita muscaria) in water? An insight from NMR experiment supported by molecular modeling

The biologically active alkaloid muscimol is present in fly agaric mushroom (Amanita muscaria), and its structure and action is related to human neurotransmitter _γ-aminobutyric acid (GABA). The current study reports on determination of muscimol form present in water solution using multinuclear ¹H and ¹³C nuclear magnetic resonance (NMR) experiments supported by density functional theory molecular modeling. The structures of three forms of free muscimol molecule both in the gas phase and in the presence of water solvent, modeled by polarized continuous model, and nuclear magnetic isotropic shieldings, the corresponding chemical shifts, and indirect spin–spin coupling constants were calculated. Several J-couplings observed in proton and carbon NMR spectra, not available before, are reported. The obtained experimental spectra, supported by theoretical calculations, favor the zwitterion form of muscimol in water. This structure differs from NH isomer, previously determined in dimethyl sulfoxide (DMSO) solution. In addition, positions of signals C3 and C5 are reversed in both solvents.