Quantum-inspired resonance for associative memory

A new kind of dynamics for simulations based upon quantum-classical hybrid is discussed. The model is represented by a modified Madelung equation in which the quantum potential is replaced by different, specially chosen potentials. As a result, the dynamics attains both quantum and classical properties: it preserves superposition and entanglement of random solutions, while allowing one to measure its state variables using classical methods. Such an optimal combination of characteristics is a perfect match for quantum-inspired information processing. In this paper, the retrieval of stored items from an exponentially large unsorted database is performed by quantum-inspired resonance using polynomial resources due to quantum-like superposition effect.     

Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin

Quercetin (QUE) is a well-known natural product that can exert beneficial properties on human health. However, due to its low solubility its bioavailability is limited. In the present study, we examine whether its formulation with two cyclodextrins (CDs) may enhance its pharmacological profile. Comparative interaction studies of quercetin with 2-hydroxyl-propyl-β-cyclodextrin (2HP-β-CD) and 2,6-methylated cyclodextrin (2,6Me-β-CD) were performed using NMR spectroscopy, DFT calculations, and in silico molecular dynamics (MD) simulations. Using T1 relaxation experiments and 2D DOSY it was illustrated that both cyclodextrin vehicles can host quercetin. Quantum mechanical calculations showed the formation of hydrogen bonds between QUE with 2HP-β-CD and 2,6Μe-β-CD. Six hydrogen bonds are formed ranging between 2 to 2.8 Å with 2HP-β-CD and four hydrogen bonds within 2.8 Å with 2,6Μe-β-CD. Calculations of absolute binding free energies show that quercetin binds favorably to both 2,6Me-β-CD and 2HP-β-CD. MM/GBSA results show equally favorable binding of quercetin in the two CDs. Fluorescence spectroscopy shows moderate binding of quercetin in 2HP-β-CD (520 M⁻¹) and 2,6Me-β-CD (770 M⁻¹). Thus, we propose that both formulations (2HP-β-CD:quercetin, 2,6Me-β-CD:quercetin) could be further explored and exploited as small molecule carriers in biological studies.     

Heterogenization of metalorganic catalysts of olefin polymerization and evaluation of active site non-uniformity

Heterogenized activators - “support-H₂O/AlR₃” (where R=Me, iBu, support=montmorillonite, zeolite), synthesized directly on the support, form with metallocenes metal alkyl complexes highly active in olefin polymerization without the use of commercial methylaluminoxane (MAO). It was shown by the method of temperature programmed desorption with the application of mass-spectrometry (TPD-MS) that the aluminumorganic compound in support-H₂O/AlR₃ is in general similar to the structure of commercial MAO. The heterogenization of Zr-cenes on support-H₂O/AlR₃ is accompanied by the appearance of the energy non-uniformity of active sites. The activation energy of thermal destruction of active Zr-C bonds in the active sites of prepared catalysts changes in the range from 25 to 32 kcal/mol.     

Electrocatalytic Fast and Efficient Multicomponent Approach to Medicinally Relevant (2‐Amino‐4H‐chromen‐4‐yl) phosphonate Scaffold

‘One‐pot’ electrocatalytic transformation of salicylaldehydes, malononitrile, and triethyl phosphite in an undivided cell results in the formation of diethyl (2‐amino‐3‐cyano‐4H‐chromen‐4‐yl)phosphonates in 88–93% substance yields and 880–930% current efficiency via complex multicomponent process. This novel electrocatalytic chain process opens an effective, fast, and convenient way to cyano‐functionalized (2‐amino‐4H‐chromen‐4‐yl)phosphonate systems which are promising compounds for biomedical applications. This efficient electrocatalytic approach to the (2‐amino‐4H‐chromen‐4‐yl)phosphonate scaffold represents novel synthetic concept for multicomponent reactions (MCR) strategy and allows to combine the synthetic virtues of conventional MCR with ecological benefits and convenience of facile electrocatalytic procedure.