Dimethylamine Group Research Articles

A hapten design strategy to enhance the selectivity of monoclonal antibodies against malachite green

Malachite green (MG), a triphenylmethane dye, is used in the aquaculture industry as a disinfectant and insect repellent due to its potent bactericidal and pesticidal properties. However, its use poses potential environmental and health risks. This study analyzed and designed two haptens using computer simulation. Serum data confirmed the feasibility of introducing an arm at the dimethylamine group. Subsequently, a highly selective monoclonal antibody strain was successfully prepared based on the hapten. After optimizing the working conditions of indirect competitive enzyme-linked immunosorbent assay (IC-ELISA), the IC50 value was 0.83 ng/mL, with a detection limit (IC10) of 0.08 ng/mL and a linear range of 0.19–3.52 ng/mL. The developed monoclonal antibody exhibited a crossover rate of less than 0.1% with other similar structures and can be used to establish an immunoassay.

Phosphonium Iodide Featuring Blue Thermally Activated Delayed Fluorescence for Highly Efficient X‐Ray Scintillator

AbstractOrganic scintillators are praised for their abundant element reserves, facile preparation procedures, and rich structures. However, the weak X‐ray attenuation ability and low exciton utilization efficiency result in unsatisfactory scintillation performance. Herein, a new family of highly efficient organic phosphonium halide salts with thermally activated delayed fluorescence (TADF) are designed by innovatively adopting quaternary phosphonium as the electron acceptor, while dimethylamine group and halide anions (I−) serve as the electron donor. The prepared butyl(2‐[2‐(dimethylamino)phenyl]phenyl)diphenylphosphonium iodide (C4‐I) exhibits bright blue emission and an ultra‐high photoluminescence quantum yield (PLQY) of 100 %. Efficient charge transfer is realized through the unique n‐π and anion‐π stacking in solid‐state C4‐I. Photophysical studies of C4‐I suggest that the incorporation of I accounts for high intersystem crossing rate (kISC) and reverse intersystem crossing rate (kRISC), suppressing the intrinsic prompt fluorescence and enabling near‐pure TADF emission at room temperature. Benefitting from the large Stokes shift, high PLQY, efficient exciton utilization, and remarkable X‐ray attenuation ability endowed by I, C4‐I delivers an outstanding light yield of 80721 photons/MeV and a low limit of detection (LoD) of 22.79 nGy ⋅ s−1. This work would provide a rational design concept and open up an appealing road for developing efficient organic scintillators with tunable emission, strong X‐ray attenuation ability, and excellent scintillator performance.

Phosphonium Iodide Featuring Blue Thermally Activated Delayed Fluorescence for Highly Efficient X-Ray Scintillator.

Organic scintillators are praised for their abundant element reserves, facile preparation procedures, and rich structures. However, the weak X-ray attenuation ability and low exciton utilization efficiency result in unsatisfactory scintillation performance. Herein, a new family of highly efficient organic phosphonium halide salts with thermally activated delayed fluorescence (TADF) are designed by innovatively adopting quaternary phosphonium as the electron acceptor, while dimethylamine group and halide anions (I-) serve as the electron donor. The prepared butyl(2-[2-(dimethylamino)phenyl]phenyl)diphenylphosphonium iodide (C4-I) exhibits bright blue emission and an ultra-high photoluminescence quantum yield (PLQY) of 100 %. Efficient charge transfer is realized through the unique n-π and anion-π stacking in solid-state C4-I. Photophysical studies of C4-I suggest that the incorporation of I accounts for high intersystem crossing rate (kISC) and reverse intersystem crossing rate (kRISC), suppressing the intrinsic prompt fluorescence and enabling near-pure TADF emission at room temperature. Benefitting from the large Stokes shift, high PLQY, efficient exciton utilization, and remarkable X-ray attenuation ability endowed by I, C4-I delivers an outstanding light yield of 80721 photons/MeV and a low limit of detection (LoD) of 22.79 nGy ⋅ s-1. This work would provide a rational design concept and open up an appealing road for developing efficient organic scintillators with tunable emission, strong X-ray attenuation ability, and excellent scintillator performance.

Synthesis and Biological Evaluation of Novel Biased Mu-Opioid Receptor Agonists.

This study explored the potential of a series of PZM21 analogues for pain treatment. Specifically, the hydroxyphenyl ring of PZM21 was replaced with a naphthyl ring, the thienyl ring was substituted with either a phenyl ring or furan rings, and the essential dimethylamine and urea groups were retained. These compounds aimed to enhance safety and minimize the adverse effects associated with opioid drugs. The research findings suggest that compound 6a does not induce β-arrestin recruitment at low-nanomolar concentrations but exhibits significant analgesic effects in established mouse models. Compared to morphine, 6a shows advantages in alleviating respiratory depression and minimizing physical dependence. Molecular docking studies underscore the pivotal role of the D147 amino acid residue in the analgesic mechanism of 6a. Consequently, 6a is a compelling candidate for the development of safer opioid analgesics and warrants further attention.

Synthesis and evaluation of modified polyhedral oligomeric silsesquioxane (POSS) derivatives with luminescent Side-chains having charge-transfer characters

Abstract We describe here a synthesis and evaluation of polyhedral oligomeric silsesquioxane (POSS) derivatives having luminescent charge-transfer molecules. The electron withdrawing groups (EWG), such as trifluoromethyl groups, and electron donating groups (EDG), such as methoxy and dimethylamine groups, were introduced into π-conjugated systems connected at each vertex of the silica cube, and their optical properties were evaluated in solution and solid states. It was shown that the POSS scaffold hardly influenced the electronic structures of each substituent, meanwhile there were significant differences in electronic interactions between EWGs and EDGs depending on the order of connections from the silica cube. Finally, we obtained heat resistant luminescent materials having intermolecular charge-transfer characteristics.

Chemical and photophysical properties of amine functionalized bis‐NHC‐pyridine‐RuII complexes

AbstractThe effects of backbone amine functionalization in three new homoleptic C^N^C type ruthenium(II) complexes bearing a tridentate bis‐imidazole‐2‐ylidene pyridine ligand framework are characterized and studied by single crystal diffraction, electrochemistry, optical spectroscopy and transient absorption spectroscopy in combination with ab initio DFT calculations. Functionalization by dimethylamine groups in 4‐position of the pyridine backbone significantly influences the properties of the complexes as revealed by comparison with the unfunctionalized references. As a result of the amine functionalization, a higher molar absorption coefficient of the MLCT bands, a decreased photoluminescence quantum yield at room temperature together with a shortened excited state lifetime but an improved photostability is observed. Introduction of electron donating and withdrawing groups at the NHC unit modifies the electronic and optical properties, such as the oxidation potential, absorption and emission properties, and the lifetimes of the excited states.

Structural, spectroscopical, electronic, non-linear optical characterization and antioxidant activity of 2-hidroxychalcones para-derivatives: An experimental and theoretical approach

The molecular structures of the chalcones were synthesized because of the crescent interest in the chemistry of chalcones, whose properties demonstrate a wide range of applications. This work aims to characterize the structural, spectroscopic, and electronic properties and propose the reaction mechanism for the antioxidant activity of the four chalcone derivatives. The results for the structural characterization showed that the experimental and theoretical data for the RMN (1H and 13C) and the Infrared are in excellent agreement. Furthermore, the nonlinear optical properties demonstrated that chalcones (1) and (4) had a higher NLO character. Hence, these chalcones can be used in optoelectronic devices due to their enhanced non-linear optical properties. The electronic properties of the four chalcones were fully characterized by the FMO, QCRD, Fukui functions, and the MEP: chalcone (1) showed a higher nucleophilic character, chalcones (2) and (3) a higher electrophilic character, and chalcone (4) demonstrated to have a balance between the nucleophilic and electrophilic character. Finally, the antioxidant assays exhibited that all four chalcones are weak antioxidants and the mechanism thermodynamically favorable is the Hydrogen Atom Transfer (HAT) with the phenolic hydroxyl target for chalcones (2) - (4) and the methyl from the dimethylamine group for chalcone (1).

Modulation of intramolecular charge transfer in D-A functionalized pyrrolopyrazine and their application in luminescent solar concentrators

In this study, we fabricated LSCs using pyrrolopyrazine-based organic fluorophore (PP2) with an intramolecular charge transfer (ICT) function and aggregation-induced emission. PP2 incorporates unique features, including an intramolecular charge transfer (ICT) function and aggregation-induced emission. The pyrrolopyrazine core of PP2 is decorated with an electron-rich dimethylamine group and two electron-poor cyano groups, enhancing its potential for light harvesting in LSC applications. In the polymethylmethacrylate (PMMA) matrix, PP2 showed strong absorption near ultraviolet (395 nm–406 nm), emitted green-colored visible light (474 nm–478 nm), and exhibited a photoluminescence quantum efficiency (PLQY) of 67%. The external photon efficiency (ηext) and internal photon efficiency (ηint) of the fabricated LSC under AM 1.5G illumination (1 sun) were 3.36% and 39.1%, respectively. Subsequently, we conducted an analytical simulation to estimate the ηext and the ηint as the dimensions of the LSC were scaled up. In addition, the photovoltaic performance measurement under 1 sun showed a power conversion efficiency (ηPCE) of 1.074% with a scattering background and 0.633% without a scattering background. Thus, this research introduces PP2 as a novel fluorophore with promising prospects for advancing the field of LSC technology.

Synthesis and nitroxyl (HNO) donating properties of benzoxadiazole-based Piloty's acids

Developing functional nitroxyl (HNO) donors play a significant role in the further exploration of endogenous HNO in biochemistry and pharmacology. In this work, two novel Piloty's acids (SBD-D1 and SBD-D2) were proposed by incorporating benzoxadiazole-based fluorophores, in order to achieve the dual-function of releasing both HNO and a fluorophore in situ. Under physiological conditions, both SBD-D1 and SBD-D2 efficiently donated HNO (t1/2 = 10.96 and 8.18 min, respectively). The stoichiometric generation of HNO was determined by both Vitamin B12 and phosphine compound trap. Interestingly, due to the different substitution groups on the aromatic ring, SBD-D1 with the chlorine showed no fluorescence emission, but SBD-D2 was strongly fluorescent due to the presence of the dimethylamine group. Specifically, the fluorescent signal would decrease during the release process of HNO. Moreover, theoretical calculations were performed to understand the emission difference. A strong radiation derived from benzoxadiazole with dimethylamine group due to the large transition dipole moment (∼4.3 Debye), while the presence of intramolecular charge transfer process in the donor with chlorine group caused a small transition dipole moment (<0.1 Debye). Finally, these studies would contribute to the future design and application of novel functional HNO donors for the exploration of HNO biochemistry and pharmacology.

A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation.

Experiment and computation are used to develop a model to rapidly predict solution structures of macrocycles sharing the same Murcko framework. These 24-atom triazine macrocycles result from the quantitative dimerization of identical monomers presenting a hydrazine group and an acetal tethered to an amino acid linker. Monomers comprising glycine and the β-branched amino acids threonine, valine, and isoleucine yield macrocycles G-G, T-T, V-V, and I-I, respectively. Elements common to all members of the framework include the efficiency of macrocyclization (quantitative), the solution- and solid-state structures (folded), the site of protonation (opposite the auxiliary dimethylamine group), the geometry of the hydrazone (E), the C2 symmetry of the subunits (conserved), and the rotamer state adopted. In aggregate, the data reveal metrics predictive of the three-dimensional solution structure that derive from the fingerprint region of the 1D 1H spectrum and a network of rOes from a single resonance. The metrics also afford delineation of more nuanced structural features that allow subpopulations to be identified among the members of the framework. Well-tempered metadynamics provides free energy surfaces and population distributions of these macrocycles. The areas of the free energy surface decrease with increasing steric bulk (G-G > V-V ∼ T-T > I-I). In addition, the surfaces are increasingly isoenergetic with decreasing steric bulk (G-G > V-V ∼ T-T > I-I).

Novel Alcohol-Soluble Nitroxide Radical Conjugated Polymer for Cathode Modifier of Efficient Organic Solar Cells with Enhanced Stability.

Alcohol-soluble conjugated polymers with polar side-chain components have been regarded as one of the most promising cathode interfacial modifers (CIMs) to achieve high-performance organic solar cells (OSCs). Herein, a novel alcohol-soluble nitrogen oxide radical conjugated polymer (PBN-NO) containing dimethylamine groups for regulating metal work function and the dangling of 2,2,6, 6-tetramethylpiperidine 1-oxy (TEMPO) radical side-chain groups for theoretically improving the conductivity, was prepared and characterized. As compared to the OSCs from PM6:Y6 blends with the most common CIMs of PFN, PDINO, and PDINN, the OSCs with PBN-NO as CIMs provide better or comparable power conversion efficiencies (PCEs) (16.19% vs 13.10%, 15.60%, and 16.15%), enhanced photostability, and thermal stability. Besides that, the reasons for the improving PCEs of the OSCs with PBN-NO modifier are systematically investigated and supported by a set of comparative experiments such as exciton dissociation, charge recombination, capacitance-voltage (C-V), etc. To the best of our knowledge, this is the first report of an alcohol-soluble nitroxide radical conjugated polymer that successfully integrates the interfacial modification of polar groups and improves conductivity by dangling radicals, therefore contributing to efficient OSCs with enhanced stability.

Two-Photon Absorption and Multiphoton Excited Fluorescence of Acetamide-Chalcone Derivatives: The Role of Dimethylamine Group on the Nonlinear Optical and Photophysical Properties.

This work studied the effect of different electron-withdrawing and electron-donating groups on the linear and nonlinear optical properties of acetamide-chalcone derivatives. The results showed that the addition of the dimethylamine group led to a large fluorescence emission (71% of fluorescence quantum yield in DMSO solution) that can be triggered by two and three-photon excitations, which is essential for biological applications. Furthermore, dimethylamine also red-shifts the lower energy state by approximately 90 nm, increasing the two-photon absorption cross-section of the lower energy band by more than 100% compared with the other studied compounds. All compounds presented two-electronic states observed through one and two-photon absorption spectroscopy and confirmed by Quantum Chemistry Calculations (QCCs). QCC results were also used to model the experimental two-photon absorption cross-sectional spectrum by the Sum-Over-States (SOS) approach, revealing a dependence between the coupling of the ground state with the first excited state and the transition dipole moment between these states.

Molecular Switch Cobalt Redox Shuttle with a Tunable Hexadentate Ligand.

Strong-field hexadentate ligands were synthesized and coordinated to cobalt metal centers to result in three new low-spin to low-spin Co(III/II) redox couples. The ligand backbone has been modified with dimethyl amine groups to result in redox potential tuning of the Co(III/II) redox couples from -200 to -430 mV versus Fc+/0. The redox couples surprisingly undergo a reversible molecular switch rearrangement from five-coordinate Co(II) to six-coordinate Co(III) despite the ligands being hexadentate. The complexes exhibit modestly faster electron self-exchange rate constants of 2.2-4.2 M-1 s-1 compared to the high-spin to low-spin redox couple [Co(bpy)3]3+/2+ at 0.27 M-1 s-1, which is attributed to the change in spin state being somewhat offset by this coordination switching behavior. The complexes were utilized as redox shuttles in dye-sensitized solar cells with the near-IR AP25 + D35 dye system and exhibited improved photocurrents over the [Co(bpy)3]3+/2+ redox shuttle (19.8 vs 18.0 mA/cm2). Future directions point toward pairing the low-spin to low-spin Co(II/III) tunable series to dyes with significantly more negative highest occupied molecular orbital potentials that absorb into the near-IR where outer sphere redox shuttles have failed to produce efficient dye regeneration.

Maleic and Methacrylic Homopolymers with Pendant Dibutylamine or Dibutylamine Oxide Groups as Kinetic Hydrate Inhibitors.

Kinetic hydrate inhibitors (KHIs) are applied in oil and gas fields to prevent gas hydrate formation, most often in cold subsea flow lines. The main component in industrial KHI formulations is a water-soluble polymer with many amphiphilic groups of which the hydrophilic part is most commonly the amide functional group. In the last decade, we have investigated polyamine oxides as alternatives to polyamides due to the strong hydrogen bonding of the amine oxide group. Here, we report the KHI performance of maleic and methacrylic homopolymers with dialkylamine and dialkylamine oxide pendant groups. Performance screening experiments were conducted under high pressure with a Structure II-forming natural gas mixture in steel rocking cells using the slow (1 °C/h) constant cooling test method. Polymers with dibutylamine groups gave much better KHI performance than polymers with dimethylamine or diethylamine groups. Polyamines formed from polymaleic anhydride reacted with 3-(dibutylamino)-1-propylamine (DBAPA) or 2-(dibutylamino)-ethanol (DBAE) gave good water solubility and good KHI performance, probably due to self-ionization between the dibutylamino and carboxylic acid groups. The lack of self-ionization for the methacryl homopolymers of DBAPA and DBAE explains why these polymers are not water-soluble. Oxidation of the maleic or methacryl polyamines to polyamine oxides gave water-soluble polymers with good compatibility with brines (0.5-7.0 wt % NaCl), but only the DBAPA-based polyamine oxides gave improved KHI performance compared to the polyamines. Poly(3-(dibutylamino oxide)-1-propyl methacrylamide) gave a similar performance to commercial N-vinyl pyrrolidone:N-vinyl caprolactam 1:1 copolymer and without a cloud point in deionized water up to +95 °C.

A Novel Shift in the Absorbance Maxima of Methyl Orange with Calcination Temperature of Green Tin Dioxide Nanoparticle-Induced Photocatalytic Activity

Background: The photocatalytic degradation of toxic organic compounds has received great attention for the past several years. Dyes, such as methyl orange (MO), are one of the major pollutants which create environmental hazards in the hydrosphere, living organisms and human beings. During photocatalytic degradation, NPs are activated in the presence of UV–Vis radiation which in turn creates a redox environment in the system and behaves as a sensitizer for light-induced redox mechanisms. Tin oxide (SnO2) is one of the prominent, but less investigated, nanomaterials compared to titanium oxide (TiO2) and Zinc oxide (ZnO) nanoparticles (NPs). Methods: Herein, Buxus wallichiana (B. wallichiana) leaf extract was utilized as a reducing and capping agent for the biosynthesis of SnO2 NPs. The effects of the calcination temperature on their photocatalytic, structure and surface properties were then examined. The degree of crystallinity and the crystallite size were determined through X-ray diffraction (XRD) analysis. The pore size and surface area were calculated by Burnett–Emmitt–Teller (BET) and Barrett–Joyner–Halenda (BJH) methods based on nitrogen desorption data. Morphological changes were assessed by scanning electron microscopy (SEM). The optical behavior was analyzed through UV–Vis diffuse reflectance spectroscopy (DRS) data and the band gap subsequently calculated. The photocatalytic efficiency of SnO2 NPs was evaluated by double beam UV–Vis spectrophotometry under the influence of initial MO concentration, catalyst dose and pH of MO solution. The surface functional moieties were identified using Fourier transform infrared (FTIR) spectroscopy. All the calcined SnO2 NPs were used as photocatalysts for the mineralization of MO in aqueous media. Results: The degree of crystallinity and the crystallite size increased with the calcination temperature. The transmittance edge obtained for all the calcined SnO2 NPs shows a maximum absorbance in the visible range (λ-max = 464 nm). Moving toward higher wavelengths, a sudden intense red shift (from 464 nm to 500 nm), attributed to the incorporation of a hydroxyl radical at the ortho-position in the benzene ring associated with the dimethylamine group of MO, was observed in the absorbance of the samples calcined up to 300 °C. The percentage degradation of MO was found to decrease with increasing calcination temperatures. The optimal photocatalytic activity toward MO (15 ppm) in a solution of pH = 6 was obtained with 15 mg SnO2 NPs calcined at 100 °C. Conclusions: UV–Vis absorption spectroscopy demonstrates that the absorption spectra of MO are strongly modified by the calcination temperature. This work opens new avenues for the use of SnO2 NPs as photocatalysts against the degradation of industrial effluents enriched with different dyes.

Front Cover: (ChemistryOpen 7/2022)

The Front Cover shows a core-substituted naphthalene diimide with dimethylamine (DDPT) groups which has been used as a reversible acid-base sensor. The color-changing tides of the sea represent the acid-base-mediated colorimetric changes the DDPT probe exhibits, switching from blue to violet. DDPT could be an efficient alternative to overcome the irreversibility of commonly used pH paper, as it also works when immobilized on paper. More information can be found in the Research Article Vishal G. More et al.

(V)UV degradation of the antibiotic tetracycline: Kinetics, transformation products and pathway

Tetracycline (TETR) is an antibiotic drug that is widely used in both human and veterinary medicine. It is frequently detected in activated sludge, wastewater effluent, river and lake water or sediment, usually in the pg/L – µg/L concentration range, but sometimes above the mg/L level. Conventional wastewater treatment plants have low removal efficiency for a large number of small organic molecules including TETR. Their efficiency can be increased by applying e.g., an advanced oxidation method for the post-treatment of the wastewater effluent. One possibility is the use of (V)UV lamps for simultaneous disinfection and micropollutant removal. In this paper, the degradation of TETR by UV (λ = 254 nm) and (V)UV (λ = 185 nm and 254 nm) light was studied, focusing on kinetics, mineralization, transformation products and degradation pathways. The effect of dissolved oxygen during irradiation was also examined. As expected, the degradation rate of TETR drastically increased in (V)UV irradiation compared to the conventional UV light. The degradation rates increased by 9% and 16% in UV and (V)UV experiments in the presence of dissolved oxygen possibly due to the generation of additional oxidative radical species. Total organic carbon removal was generally 15%, high TOC removal could only be achieved with greatly increased photon flux in (V)UV photooxidation. In total, eleven aromatic transformation products (TPs) were identified during the irradiation experiments. Three TPs (TP 418, TP 398 and TP 383) were described for the first time. The main degradation pathways include loss of water, CO, methyl or dimethylamine groups. Based on the kinetic profiles, (V)UV irradiation could effectively degrade all aromatic transformation products.

Synthesis, crystal structure, ATR-FTIR, FT-Raman and UV spectra, structural and spectroscopic analysis of (3E)‐4‐[4‐(dimethylamine)phenyl]but‐3‐en‐2‐one

Chalcones are a large and promising source of molecules that can be used for drug development, as they have a wide variety of pharmacological activities associated with their structural diversity. In this work, the chalcone named (3E)‐4‐[4‐(dimethylamine)phenyl]but‐3‐en‐2‐one (DMAP) was synthesized, crystallized, and characterized by single-crystal X-Ray Diffraction (XRD), Fourier Transform Raman (FT-Raman), Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR), and Ultraviolet-visible (UV–Vis) spectroscopy. Theoretical calculations of quantum chemistry were performed to obtain data regarding normal vibration modes, dipole moment, frontier molecular orbitals, quantum chemical parameters, molecular electrostatic potential map, Hirshfeld surfaces, and theoretical UV–vis spectrum. In contrast to most chalcones which are formed by two aromatic rings, the DMAP is formed by only one aromatic ring. The crystal of DMAP at 300 K has orthorhombic symmetry with space group P212121 with four molecules per unit cell. The crystalline structure is stabilized by two intermolecular short contacts, both involving the dimethylamine group. In the direction of the crystallographic a-axis, the molecules are arranged to form layers.

Symmetric vs. asymmetric: Which one is the better molecular configuration for achieving robust NLO response?

The current study reports a comparative investigation for the nonlinear optical (NLO) response for some symmetric and asymmetric molecular configurations. The designed compounds are featuring a similar 2,7-bis(phenyl ethynyl)cyclopentaaceanthrylene core connected to different terminal donor and acceptor moieties such as dimethylamine, methoxy, nitro and ethene-tricarbonitrile groups based on three topologies, “D-π-D” (1–2), “A-π-A” (3–4) and “D-π-A” (5–8). A comparative analysis of these symmetrically and asymmetrically substituted chromophores is done to investigate the effect of different terminal groups on their NLO response, optical and charge transfer properties. The asymmetric compounds display larger first hyperpolarizability amplitudes (β//) than those of the symmetric compounds where a β// amplitude as large as 1851 × 10−30 esu is calculated for asymmetric compound 6. Interestingly, the average second hyperpolarizabilities (γ) for symmetric compound 4 have been calculated to be 16, 096 × 10−36 esu and for asymmetric counterpart compound 6 it is found to be 23, 162 × 10−36 esu using M06/6-311G* methodology. Our findings were also inline with experimental observations of Mathews et al. (Mathews, S.J., et al., 2007. Optics Communications, 280, 206–212), where they also experimentally determined the larger third-order susiptibility for asymmetric phthalocyanine (Pc3) than their symmetric counterparts. Additionally, the NLO polarizabilities of all the compounds have also been compared with a typical donor-acceptor molecule of p-NA to specify the comparison of designed compounds. TD-DFT studies have shown that the higher β and γ values were found for asymmetric compounds owing to their lower transition energies and larger trasition dipole moments. The depiction of molecular orbitals and electrostatic potentials have shown more efficient intramolecular charge transfer (ICT) for asymmetric compounds leading to the robust NLO response. Thus, a systematic comparison of the NLO polarizabilities and other electronic properties of our designed symmetric and asymmetric compounds shows that symmetry based designing of NLO compounds are very crucial to get robust NLO response properties.

Studies of the rate of gold sorption by the AM-2B anionite from cyanide-alkaline solutions

The paper presents the results of studies on the sorption leaching of gold-containing ore of the Vasilkovskoye deposit. Kinetic dependences of the sorption of gold and associated metals from cyanide-alkali solutions under different physical and chemical factors were obtained. It was found that gold on the AM-2B resin sorbed at a higher rate than, for example, copper and zinc. The solutions were analyzed using modern devices of a new generation: FT-IR spectrometer "Avatar 370". Laboratory studies were performed to determine the gold sorption rate by the AM-2B anionite from cyanide-alkaline solutions. It was found in the process of sorption of gold from multicomponent cyanide-alkali solutions on AM-2B anionite of mixed basicity, with the macroporous structure containing benzyl dimethylamine and dibenzyl dimethyl ammonium functional groups, that an important factor of qualitative and quantitative separation of gold and impurity metals is the concentration of cyanide and hydroxyl ions in solution. The temperature effect on the sorption rate of gold from cyanide-alkali solutions was studied with the temperature dependences F of t, Bt, of t, ln (l - F) of t, and D of t that show that the sorption process of dicyanoaurate ions is controlled by mixed diffusion.