Data describing the cofactor additives effect on bioelectrocatalytic activity of «crude» extracts.

«Crude» extracts obtained via simple ultrasonic disintegration of microbial cell membrane are perspective bioelectrocatalysts. This extract contains all the necessary enzymes and cofactors required for oxidative or reductive conversion. The technology of synthesis of «crude extract» is simpler and less costly in comparison with technology of obtaining pure enzymes.

Complexes of Cobalt(II) Iodide with Pyridine and Redox Active 1,2-Bis(arylimino)acenaphthene: Synthesis, Structure, Electrochemical, and Single Ion Magnet Properties.

Complexes [(dpp-BIAN)CoI]·MeCN () and [(Py)CoI] () were synthesized by the reaction between cobalt(II) iodide and 1,2-bis(2,6-diisopropylphenylimino)acenaphthene (dpp-BIAN) or pyridine (Py), respectively. The molecular structures of the complexes were determined by X-ray diffraction. The Co(II) ions in both compounds are in a distorted tetrahedral environment (CoNI).

From Neutral Aniline to Aniline Trication: A Computational and Experimental Study.

We report density functional theory computations and photoionization mass spectrometry measurements of aniline and its positively charged ions. The geometrical structures and properties of the neutral and singly, doubly, and triply positively charged aniline are computed using density functional theory with the generalized gradient approximation. At each charge, there are multiple isomers closely spaced in total energy.

Bottlebrush Bridge between Soft Gels and Firm Tissues.

Softness and firmness are seemingly incompatible traits that synergize to create the unique soft-yet-firm tactility of living tissues pursued in soft robotics, wearable electronics, and plastic surgery. This dichotomy is particularly pronounced in tissues such as fat that are known to be both ultrasoft and ultrafirm. However, synthetically replicating this mechanical response remains elusive since ubiquitously employed soft gels are unable to concurrently reproduce tissue firmness.

A specific role of magnetic isotopes in biological and ecological systems. Physics and biophysics beyond.

The great diversity of molecular processes in chemistry, physics, and biology exhibits universal property: they are controlled by powerful factor, angular momentum. Conservation of angular momentum (electron spin) is a fundamental and universal principle: all molecular processes are spin selective, they are allowed only for those spin states of reactants whose total spin is identical to that of products. Magnetic catalysis induced by magnetic interactions is a powerful and universal means to overcome spin prohibition and to control physical, chemical and biochemical processes.

Studies of equation of state properties of high-energy-density matter generated by intense ion beams at the facility for antiprotons and ion research.

The work presented in this paper shows with the help of two-dimensional hydrodynamic simulations that intense heavy-ion beams are a very efficient tool to induce high energy density (HED) states in solid matter. These simulations have been carried out using a computer code BIG2 that is based on a Godunov-type numerical algorithm. This code includes ion beam energy deposition using the cold stopping model, which is a valid approximation for the temperature range accessed in these simulations.

Comparison of the Effect of Platinum (IV) Complexes on Spheroids and Monolayer Culture of HeLa Cells.

We performed a comparative study of the cytotoxicity of cisplatin, JM216 complex, and aminonitroxyl platinum(IV) complexes for HeLa cells grown in monolayer and 3D culture. The growth dynamics of spheroids was studied and optimal conditions for evaluation of cytotoxicity were determined. Spheroids were less sensitive to the test compounds than cells in a monolayer.

Flow-Through Catalytic Reactors Based on Metal Nanoparticles Immobilized within Porous Polymeric Gels and Surfaces/Hollows of Polymeric Membranes.

State-of-the-art of flow-through catalytic reactors based on metal nanoparticles immobilized within the pores of nano-, micro- and macrosized polymeric gels and in the surface or hollow of polymeric membranes is discussed in this mini-review. The unique advantages of continuous flow-through nanocatalysis over the traditional batch-type analog are high activity, selectivity, productivity, recyclability, continuous operation, and purity of reaction products etc. The methods of fabrication of polymeric carriers and immobilization technique for metal nanoparticles on the surface of porous or hollow structures are considered.

Resistance of THP-1 Leukemia Cells Infected with Cytomegalovirus to Anti-tumor Antibiotic Doxorubicin and Restoration of the Sensitivity by Inhibitors of the PI3K/AKT/mTOR Molecular Pathway.

Results obtained showed that infection with HCMV prevented the death of THP-1 cells treated with DOX in both active and latent forms of infection. In the presence of mTOR inhibitors (rapamycin and Torin2), the sensitivity of the infected cells to DOX was restored. Rapamycin inhibited the expression of the HCMV protein IE1-p72 and increased sensitivity to DOX.

Structure, conductivity and magnetism of orthorhombic and fluorite polymorphs in MoO-LnO (Ln = Gd, Dy, Ho) systems.

Phase-pure orthorhombic compositions at a Ln/Mo ratio ∼ 5.2-5.7 (Ln = Gd, Dy, Ho) have been obtained for the first time by prolonged (40-160 h) heat treatment of mechanically activated 5Ln2O3 + 2MoO3 (Ln = Gd, Dy, Ho) oxide mixtures at 1200 °C.

Self-healing and shape memory metallopolymers: state-of-the-art and future perspectives.

Metallopolymers (MPs) or metal-containing polymers have shown great potential as self-healing and shape memory materials due to their unique characteristics, including universal architectures, composition, properties and surface chemistry. Over the past few decades, the exponential growth of many new classes of MPs that deal with these issues has been demonstrated. This review presents and assesses the latest achievements and problems associated with the use of MPs as self-healing and shape memory materials.

CuO(VO)Cl, the First Copper Oxychloride Vanadate: Mineralogically Inspired Synthesis and Magnetic Behavior.

A new spin-/ frustrated antiferromagnet, CuO(VO)Cl, was synthesized via chemical vapor transport method that emulates mineral formation in volcanic fumaroles. CuO(VO)Cl is the first copper oxychloride vanadate obtained in the ternary CuO-VO-CuCl anhydrous system. Copper ions constitute a three-dimensional complex framework with a topological structure novel for synthetic compounds but similar to that in the fumarolic mineral yaroshevskite.

A unified statistical RRKM approach to the fragmentation and autoneutralization of metastable molecular negative ions of hexaazatrinaphthylenes.

For the compounds promising for use as n-type semiconductors in organic electronics and energy storage devices, hexaazatrinaphthylene (HATNA) and its derivative hexamethoxy-hexaazatrinaphthylene (HMHATA), the monomolecular processes occurring under the exposure of molecules to low-energy (0-15 eV) free electrons were studied by means of resonant electron capture negative ion mass spectrometry. Resonant electron attachment results in the formation of eminently long-lived molecular negative ions (MNIs) in an abnormally wide range of incident electron energy (E) from 0 to 5-7 eV. For both compounds, this observation serves as an indication of the strong electron-accepting properties and high stability of MNIs against electron autodetachment.

Biomimetic Water Oxidation Catalyzed by a Binuclear Ruthenium (IV) Nitrido-Chloride Complex with Lithium Counter-Cations.

The lithium salt of the binuclear nitrido complex of ruthenium (IV) Li(RuNCl·2HO) was synthesized. Using UV spectroscopy and voltammetry, we studied complex behavior in aqueous solutions. It was found that in dilute solutions of this compound, Cl ions are replaced by HO molecules, and the intra-sphere redox reaction between Ru (IV) and HO, as well as the oxidation of water with the formation of oxygen and the acidic dissociation of coordinated water molecules also have been taking place.

Visible to near-IR molecular switches based on photochromic indoline spiropyrans with a conjugated cationic fragment.

Photochromic molecules which can absorb and emit light within the "biological window" (650-1450 nm) are of great interest for using in various important biomedical applications such as bio-imaging, photopharmacology, targeted drug delivery, etc. Here we present three new indoline spiropyrans containing conjugated cationic fragments and halogen substituents in the 2H-chromene moiety which were synthesized by a simple one-pot method. The molecular structure of the obtained compounds was confirmed by FT-IR, H and C NMR spectroscopy (including 2D methods), HRMS, elemental and single crystal X-ray analysis.

Synthesis and study of -substituted methylthio derivatives of cobalt bis(dicarbollide).

The -methylthio derivatives of cobalt bis(dicarbollide) were synthesized by reaction of anhydrous CoCl with -carborane [7-MeS-7,8-CBH] and isolated as a mixture of -[1,1'-(MeS)-3,3'-Co(1,2-CBH)] and -[1,2'-(MeS)-3,3'-Co(1,2-CBH)] isomers. The structures of both isomers were studied using DFT quantum chemical calculations. The most preferable geometry of rotamers and the stabilization energy of -methylthio derivatives of cobalt bis(dicarbolide) were calculated.

The Effect of Nitroxyalkyl Succinimides on Activity of Cyclic Guanosine Monophosphate Phosphodiesterase.

The effect of N-nitroxymethyl succinimide (1), N-(2-nitroxyethyl) succinimide (2) and N-(3-nitroxypropyl) succinimide (3) on enzymatic activity of cyclic guanosine monophosphate (cGMP) phosphodiesterase was studied and crystal structure of compound (2) was determined. It was shown that all studied N-nitroxy succinimides inhibited cGMP phosphodiesterase in a concentration range of 0.1-0.

Cleavage of the C-H Bond in BuMeP by Zinc Porphyrin Dianions: Formation of {Zn(CHPBu)(TPyPH)} Containing Zn-C(ylide) Bond and the (TPyPH) Macrocycle Showing Strong NIR Absorption.

Reduction of {Zn(TPyP)} to the {Zn(TPyP)} dianions (TPyP: tetra(4-pyridyl)porphyrin) in the presence of BuMeP allows one to observe the C-H bond cleavage in the methyl group of BuMeP to form (BuMeP){Zn(CHPBu)(TPyPH)}·0.337CHCH (). Salt is the first coordination complex of neutral CHPBu ylide and metalloporphyrin.

Photolysis of 3-(1-acyl-5-aryl-3-pyrazolinyl)coumarins-Effective Fluorescence Decay.

Photophysical characteristics of new 3-(1-acyl-5-aryl-3-pyrazolinyl)coumarins have been measured. These coumarin derivatives are found to be effective fluorophores and show high values of quantum yields of fluorescence both in nonpolar and in polar solvents. The 3-(1-acyl-5-aryl-3-pyrazolinyl)coumarins turned to be photosensitive compounds and undergo photolysis under irradiation in the range of 310-465 nm.

Solvation of anions in acetonitrile solutions: FTIR and quantum chemical study for Br, ClO, AsF, and CFSO.

Anion solvation in acetonitrile solutions was comparatively studied using FTIR spectroscopy and quantum chemical calculations at the RTF + MP2/6-311G** level of theory with solvation model density (SMD) corrections. Infrared spectra for all stable anionic complexes X(CHCN) (where X = Br (monatomic halide), ClO (polyatomic tetrahedral), AsF (polyatomic octahedral), CFSO (polyatomic ethane-like) and n = 1-8) were calculated and subsequently used in the analysis of the FTIR spectra of (BuN)X and LiX acetonitrile solutions across a wide range of concentrations. Spectroscopic manifestations of solvation were established for all X examined.

Random to Chaotic Statistic Transformation in Low-Field Fano-Feshbach Resonances of Cold Thulium Atoms.

Here, we report on the observation of a random to chaotic temperature transformation in the statistics of nearest-neighbor spacings of Fano-Feshbach resonances in the ultracold polarized gas of thulium-169 atoms. We associate this transformation to the appearance of so-called d resonances as well as the shift of other resonances with the temperature. In addition to this statistical change, it has been observed that the characters of s- and d-resonance temperature shifts are quite different: s resonances experience almost no shift or even negative shift with the temperature, while d resonances experience an obvious positive shift.

Crown- and phosphoryl-containing metal phthalocyanines in solutions of poly(N-vinylpyrrolidone): Supramolecular organization, accumulation in cells, photo-induced generation of reactive oxygen species, and cytotoxicity.

Nowadays, the study of well-known sensitizers for photodynamic therapy and search for new ones are intensively conducted. In the present work supramolecular organization of crown-ether and phosphoryl-containing phthalocyanines ({MgcrPc, I, and М[RPc] (M = Zn, R = -OPhP(O)(OH)(OCH), II; M = 2H, R = -OPhP(O)(OH)(OCH), III; M = 2H, -OPhP(O)(OH)), IIIa}, respectively) was studied in microheterogeneous media. The role of a metal ion of a macrocycle in monomerization of phosphoryl-containing Pc in the presence of water-soluble poly(N-vinylpyrrolidone) was revealed.