Spectral-Luminescent and Electroluminescent Properties of Charge-transfer Systems Based On Electron-donating Diphenylamine Derivatives and Acceptors of Dibenzothiophene Sulfone and Phenanthridine.

Spectral characteristics and luminescence under the photo- and electro-excitation of substituted dibenzthiophene sulfone and phenanthridine were studied in this paper. Diphenylamines are substituents introduced in the 2nd and 7th positions (linear configuration) or the 3rd and 6th positions (angular configuration) of dibenzthiophene sulfone or phenanthridine. All molecules show delayed fluorescence, both in solutions and films produced by thermal vacuum deposition.

Insight Into The Spin-Vibronic Problem of a Mixed Valence Magnetic Molecular Cell for Quantum Cellular Automata.

The effects of the vibronic coupling in quantum cellular automata (QCA) based on the square planar mixed valence (MV) molecular cells comprising four paramagnetic centers (spin cores) and two excess mobile electrons are analyzed in the important particular case when the Coulomb energy gap between the ground antipodal diagonal-type two-electron configurations and the excited side-type configurations considerably exceeds both the one-electron transfer parameter (strong U-limit) and the vibronic stabilization energy. Under such conditions the developed model involves the second-order double exchange, the Heisenberg-Dirac-Van Vleck (HDVV) exchange and the vibronic coupling of the excess electrons with the molecular B -vibration composed of four full-symmetric local vibrations. The latter interaction is shown to significant amplify the ability of the electric field produced by the driver-cell to polarize the excess electrons in the working cell, which can be termed "the effect of the vibronic enhancement of the cell-cell interaction".

Molecular and Ionic Diffusion in Ion Exchange Membranes and Biological Systems (Cells and Proteins) Studied by NMR.

The results of NMR, and especially pulsed field gradient NMR (PFG NMR) investigations, are summarized. Pulsed field gradient NMR technique makes it possible to investigate directly the partial self-diffusion processes in spatial scales from tenth micron to millimeters. Modern NMR spectrometer diffusive units enable to measure self-diffusion coefficients from 10 m/s to 10 m/s in different materials on H, H, Li, C, F, Na, P, Cs nuclei.

Antioxidant Potential of Aqueous Dispersions of Fullerenes C, C, and Gd@C.

The antioxidant potential (capacity and activity) of aqueous fullerene dispersions (AFD) of non-functionalized C, C, and Gd@C endofullerene (in micromolar concentration range) was estimated based on chemiluminescence measurements of the model of luminol and generation of organic radicals by 2,2'-azobis(2-amidinopropane) dihydrochloride (ABAP). The antioxidant capacity was estimated by the TRAP method, from the concentration of half-suppression, and from the suppression area in the initial period. All three approaches agree and show that the antioxidant capacity of AFDs increased in the order Gd@C < C < C.

Multiarm Star-Shaped Polydimethylsiloxanes with a Dendritic Branching Center.

New multiarm stars have been synthesized based on polylithium derivatives of high-generation carbosilane dendrimers. In the synthesis of multiarm stars based on the eighth-generation dendrimer, steric hindrances were observed even during the synthesis of a polylithium initiator. Subsequently, this led to chain transfer reactions between growing arms, as well as other side effects.

Fabrication, Microstructure and Colloidal Stability of Humic Acids Loaded FeO/APTES Nanosorbents for Environmental Applications.

Nowadays, numerous researches are being performed to formulate nontoxic multifunctional magnetic materials possessing both high colloidal stability and magnetization, but there is a demand in the prediction of chemical and colloidal stability in water solutions. Herein, a series of silica-coated magnetite nanoparticles (MNPs) has been synthesized via the sol-gel method with and without establishing an inert atmosphere, and then it was tested in terms of humic acids (HA) loading applied as a multifunctional coating agent. The influence of ambient conditions on the microstructure, colloidal stability and HA loading of different silica-coated MNPs has been established.

Novel Self-Healing Metallocopolymers with Pendent 4-Phenyl-2,2':6',2″-terpyridine Ligand: Kinetic Studies and Mechanical Properties.

We report here our successful attempt to obtain self-healing supramolecular hydrogels with new metal-containing monomers (MCMs) with pendent 4-phenyl-2,2':6',2″-terpyridine metal complexes as reversible moieties by free radical copolymerization of MCMs with vinyl monomers, such as acrylic acid and acrylamide. The resulting metal-polymer hydrogels demonstrate a developed system of hydrogen, coordination and electron-complementary π-π stacking interactions, which play a critical role in achieving self-healing. Kinetic data show that the addition of a third metal-containing comonomer to the system decreases the initial polymerization rate, which is due to the specific effect of the metal group located in close proximity of the active center on the growth of radicals.

Bicontinuous Gyroid Phase of a Water-Swollen Wedge-Shaped Amphiphile: Studies with In-Situ Grazing-Incidence X-ray Scattering and Atomic Force Microscopy.

We report on formation of a bicontinuous double gyroid phase by a wedge-shaped amphiphilic mesogen, pyridinium 4'-[3″,4″,5″-tris-(octyloxy)benzoyloxy]azobenzene-4-sulfonate. It is found that this compound can self-organize in zeolite-like structures adaptive to environmental conditions (e.g.

The Concentration of C() Atoms and Properties of an Activated Carbon with over 3000 m/g BET Surface Area.

The alkaline activation of a carbonized graphene oxide/dextrin mixture yielded a carbon-based nanoscale material (AC-TR) with a unique highly porous structure. The BET-estimated specific surface area of the material is 3167 m/g, which is higher than the specific surface area of a graphene layer. The material has a density of 0.

Nonlinear Optical Characterization of InP@ZnS Core-Shell Colloidal Quantum Dots Using 532 nm, 10 ns Pulses.

InP@ZnS core-shell colloidal quantum dots (CQDs) were synthesized and characterized using the z-scan technique. The nonlinear refraction and nonlinear absorption coefficients ( = -2 × 10 cm W, = 4 × 10 cm W) of these CQDs were determined using 10 ns, 532 nm pulses. The saturable absorption ( = -1.

2-D self-healable polyaniline-polypyrrole nanoflakes based triboelectric nanogenerator for self-powered solar light photo detector with DFT study.

This work demonstrates an easy and cost-effective synthesis of PANI-PPY conducting nanoflakes (NFs) with a self-healing capability. Scanning electron microscopic (SEM) analysis shows the minimum width of NFs as 30 nm, while HRTEM analysis confirms the shape, size, and semi-crystalline nature of the polymer. These PANI-PPY NFs were used to fabricate a contact separation mode triboelectric nanogenerator (TENG) based self-powered photosensor which gave the maximum output voltage (149 V), maximum output current (16 µA), current density 0.

Nanoparticles of water-soluble dyads based on amino acid fullerene C derivatives and pyropheophorbide: Synthesis, photophysical properties, and photodynamic activity.

Synthesis, spectral properties, and photodynamic activity of water-soluble amino acid fullerene C derivatives (AFD) and four original AFD-PPa dyads, obtained by covalent addition of dye pyropheophorbide (PPa) to AFD, were studied. In aqueous solution, these AFD-PPa dyads form nanoassociates as a result of self-assembly. In this case, a significant change in the absorption spectra and strong quenching of the dye fluorescence in the structure of the dyads were observed.

Changes in Surface Free Energy and Surface Conductivity of Carbon Nanotube/Polyimide Nanocomposite Films Induced by UV Irradiation.

Changes in surface energy and electrical conductivity of polyimide (PI)-based nanocomposite films filled with carbon nanotubes (CNTs) induced by UV exposure are gaining considerable interest in microelectronic, aeronautical, and aerospace applications. However, the underlying mechanism of PI photochemistry and oxidation reactions induced by UV irradiation upon the surface in the presence of CNTs is still not clear. Here, we probed the interplay between CNTs and PIs under UV exposure in the surface properties of CNT/PI nanocomposite films.

Li-Nafion Membrane Plasticised with Ethylene Carbonate/Sulfolane: Influence of Mixing Temperature on the Physicochemical Properties.

The use of dipolar aprotic solvents to swell lithiated Nafion ionomer membranes simultaneously serving as electrolyte and separator is of great interest for lithium battery applications. This work attempts to gain an insight into the physicochemical nature of a Li-Nafion ionomer material whose phase-separated nanostructure has been enhanced with a binary plasticiser comprising non-volatile high-boiling ethylene carbonate (EC) and sulfolane (SL). Gravimetric studies evaluating the influence both of mixing temperature (25 to 80 °C) and plasticiser composition (EC/SL ratio) on the solvent uptake of Li-Nafion revealed a hysteresis between heating and cooling modes.

Synthesis and characterization of heteroleptic rare earth double-decker complexes involving tetradiazepinoporphyrazine and phthalocyanine macrocycles.

Reaction of (2,3,9,10,16,17,23,24-octabutylphthalocyaninato)lanthanide(iii) acetylacetonates (BuPcLn(acac), 1a-c, Ln = Lu (a), Eu (b), La (c)) with a tetrakis(5,7-bis(4-tert-butylphenyl)-6H-1,4-diazepino)[2,3-b,g,l,q]porphyrazine ligand (tBuPhDzPzH2, 2) produced sandwich compounds (tBuPhDzPz)Ln(BuPc) (3a-c), which represent the first heteroleptic double-deckers incorporating both Pc and DzPz decks. A combination of high-resolution mass spectrometry, UV-Vis/NIR, MCD, and 1H NMR spectroscopy, and square-wave voltammetry provided unambiguous characterization of target complexes 3 indicating that their spectral and electrochemical properties are generally intermediate with respect to their homoleptic relatives. Based on the data of solution-state 1H-1H NMR (COSY, NOESY) correlation spectroscopy supported by DFT calculations, a dimerization tendency of compounds 3 proportional to the Ln(iii) ion size was found.

Gapped magnetic ground state in quantum spin liquid candidate κ-(BEDT-TTF)Cu(CN).

Geometrical frustration, quantum entanglement, and disorder may prevent long-range ordering of localized spins with strong exchange interactions, resulting in an exotic state of matter. κ-(BEDT-TTF)Cu(CN) is considered the prime candidate for this elusive quantum spin liquid state, but its ground-state properties remain puzzling. We present a multifrequency electron spin resonance (ESR) study down to millikelvin temperatures, revealing a rapid drop of the spin susceptibility at 6 kelvin.

Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study.

Specific features of the crystal chemistry of lamprophyllite-group minerals (LGMs) are discussed using the available literature data and the results of the single-crystal X-ray diffraction and a Raman spectroscopic studies of several samples taken from the Murun alkaline complex (Russia), and Rocky Boy and Gordon Butte pegmatites (USA) presented here. The studied samples are unique in their chemical features and the distribution of cations over structural sites. In particular, the sample from the Gordon Butte pegmatite is a member of the barytolamprophyllite-emmerichite solid solution series, whereas the samples from the Murun alkaline complex and from the Rocky Boy pegmatite are intermediate members of the solid solution series formed by lamprophyllite and a hypothetical Sr analogue of emmerichite.

Novel potent bifunctional carboxylesterase inhibitors based on a polyfluoroalkyl-2-imino-1,3-dione scaffold.

An expanded series of alkyl 2-arylhydrazinylidene-3-oxo-3-polyfluoroalkylpropionates (HOPs) 3 was obtained via Cu(OAc)-catalyzed azo coupling. All were nanomolar inhibitors of carboxylesterase (CES), while moderate or weak inhibitors of acetylcholinesterase and butyrylcholinesterase. Steady-state kinetics studies showed that HOPs 3 are mixed type inhibitors of the three esterases.

Green and rapid preparation of long-term stable aqueous dispersions of fullerenes and endohedral fullerenes: The pros and cons of an ultrasonic probe.

A green, scalable, and sustainable approach to prepare aqueous fullerene dispersions (AFD) C, C, endohedral metallofullerene Gd@C, and their derivatives CCl, CCl, and supramolecular and ester-like derivatives, 10 fullerene species total, is proposed. For the first time, an immersed ultrasonic probe was used to preparing dispersions for pristine fullerenes without addends. Both ultrasound-assisted solvent-exchange and direct sonication techniques for AFD preparation using an immersed probe were tested.

Fluorescence from 3,5-diphenyl-8-CF-BODIPYs with amino substituents on the phenyl rings: Quenching by aromatic molecules.

The photoluminescence from n-hexane solutions of the dyes obtained by the introduction of amino groups into the meta position of the phenyl rings of 3,5-diphenyl-8-CF-BODIPY was found to be strongly quenched by some aromatic molecules (benzene and toluene). On the contrary, the introduction of an amino group into the para position does not lead to significant quenching. The quenching of photoluminescence from the meta derivatives obeys the mixed static + dynamic mechanism.

Density Functional Theory Modeling of Reactions of Addition of H Molecules to Magnesium Clusters MgM Doped with Atoms M of Transition 3d Elements.

Density functional theory calculations of potential energy surface (PES) have been performed for elementary hydrogenation reactions MgM + H → MgMH of magnesium clusters MgM doped by transition 3d metals (M = Ti-Ni), and for consecutive reactions MgNi + H → MgNiH of addition of hydrogen molecules to Ni-doped clusters MgNi and MgNiH. Energetic, geometric, and spectroscopic features of intermediates and transition states along the minimum energy pathway have been found, and their trends were analyzed with dopants changing along the 3d series and with increasing number of atoms H attached to the surface positions of the magnesium backbone.

De Novo Transcriptome Profiling of Brain Tissue from the Annual Killifish .

is a genus of small annual killifish found in Africa. Due to the relatively short lifespan, as well as easy breeding and care, fish are becoming widely used as a vertebrate model system. Studying the genome and transcriptome of these fish is essential for advancing the field.

Pseudodimeric Complexes of an (18-Crown-6)stilbene with Styryl Dyes Containing an Ammonioalkyl Group: Synthesis, Structure, and Stereospecific [2 + 2] Cross-Photocycloaddition.

A new efficient method was proposed for the synthesis of (18-crown-6)stilbene; the structure of the product was confirmed by X-ray diffraction analysis. In MeCN, this compound forms pseudodimeric complexes with -(2-ammonioethyl)-4-styrylpyridinium and -(3-ammoniopropyl)-4-styrylpyridinium diperchlorates via hydrogen bonding between the ammonium group and the crown ether oxygen atoms. The ammonioethyl derivative was synthesized for the first time.

Oxygen Atom Transfer in the Oxidation of Dimethyl Sulfoxide by Oxoammonium Cations.

Cyclic oxoammonium salts and DMSO are known as important reagents for their diverse and unique reactivity. In the present work, we have studied the reaction of six- and five-membered oxoammonium salts with DMSO. The reaction includes ∼100% selective transfer of the O atom from the >N═O group to the S atom of DMSO and structural rearrangement of the remaining cationic framework, leading to the formation of hydrolytically unstable iminium salts.

Reduced Graphene Oxide Aerogel inside Melamine Sponge as an Electrocatalyst for the Oxygen Reduction Reaction.

A graphene oxide aerogel (GOA) was formed inside a melamine sponge (MS) framework. After reduction with hydrazine at 60 °C, the electrical conductive nitrogen-enriched rGOA-MS composite material with a specific density of 20.1 mg/cm was used to fabricate an electrode, which proved to be a promising electrocatalyst for the oxygen reduction reaction.