Structural defects in periodic and quasicrystalline binary nanocrystal superlattices

Binary nanocrystal superlattices (BNSLs) emerge as an important class of man-made materials where components and functionalities can be added, tuned, or combined in a predictable manner. These amazingly complex structures spontaneously self-assemble from colloidal solutions containing binary mixtures of functional (semiconducting, magnetic, plasmonic, etc.) nanocrystals. Further developments of the BNSL-based materials require a deep understanding and control over BNSL formation and structural perfection. Like any solid, BNSL can contain different kinds of structural defects. It is well-known that defects can have a tremendous effect on the material's behavior. Defect engineering is used to modify and improve many of the mechanical, electrical, magnetic, and optical properties of conventional solids. In this work, we provide the first systematic analysis of structural defects in various BNSL structures. We used BNSLs as a platform for studying structural defects in both periodic (crystalline) and aperiodic (quasicrystalline) lattices, as well as for direct imaging of the interfaces between crystalline and quasicrystalline domains. Such direct observation of local imperfections in complex multicomponent lattices provides a unique insight into the fundamental aspects of crystal formation.     

Copolymerization of Metal Nanoparticles: A Route to Colloidal Plasmonic Copolymers

The resemblance between colloidal and molecular polymerization reactions is very useful in fundamental studies of polymerization reactions, as well as in the development of new nanoscale systems with desired properties. Future applications of colloidal polymers will require nanoparticle ensembles with a high degree of complexity that can be realized by hetero‐assembly of NPs with different dimensions, shapes, and compositions. A method has been developed to apply strategies from molecular copolymerization to the co‐assembly of gold nanorods with different dimensions into random and block copolymer structures (plasmonic copolymers). The approach was extended to the co‐assembly of random copolymers of gold and palladium nanorods. A kinetic model validated and further expanded the kinetic theories developed for molecular copolymerization reactions.     

Biocomputing security system: concatenated enzyme-based logic gates operating as a biomolecular keypad lock

A biomolecular security system mimicking a keypad lock device was developed using enzyme-based concatenated AND logic gates resulting in the implication logic network.     

Design of new imidazole derivatives with anti-HCMV activity: QSAR modeling,synthesis and biological testing

Journal of Computer-Aided Molecular Design - The problem of designing new antiviral drugs against Human Cytomegalovirus (HCMV) was addressed using the Online Chemical Modeling Environment (OCHEM)....     

Metal ion complexation in acetonitrile by di-ionized calix[4]arenes bearing two dansyl fluorophores

The influence of metal cations (Li⁺, Na⁺, K⁺, Rb⁺, Cs⁺, Mg²⁺, Ca²⁺, Sr²⁺, Ba²⁺, Ag⁺, Cd²⁺, Co²⁺, Fe²⁺, Hg²⁺, Mn²⁺, Pb²⁺, Zn²⁺ and Fe³⁺) on the spectroscopic properties of two dansyl (1-dimethylaminonaphthalene-5-sulfonyl) groups linked to the lower rims of a series of three, structurally related, di-ionized calix[4]arenes was investigated by means of absorption and emission spectrophotometry. Di(tetramethylammonium) salts of the di-ionized ligands, (TMA)₂L1, (TMA)₂L2 and (TMA)₂L3, which differ in having zero, two and four tert-butyl groups, respectively, on the upper rim of the calix[4]arene scaffold were utilized for the spectrofluorimetric titration experiments in acetonitrile. On complexation by alkaline earth metal cations, both the absorption and emission spectra undergo marked red shifts and quenching of the dansyl fluorescence. These effects are weaker with alkali metal cations. Transition metal cations interact strongly with the ligands. In particular, Fe³⁺, Hg²⁺ and Pb²⁺ cause greater than 97% quenching of the dansyl fluorescence in the di-ionized ligands.     

Syntheses of 2-substituted indoles and fused indoles by photostimulated reactions of o-iodoanilines with carbanions by the SRN1 mechanism

2-Substituted indoles (5a,b and 7) and fused indoles (9a-c, 11a,b, and 12) have been obtained by the S(RN)1 mechanism from photostimulated reactions of o-iodoaniline (1) and 1-halo-2-naphthalen-2-ylamines (3a,b) with enolate ions of acyclic (acetophenone (6), 2- (4a) and 4-acetylpyridine (4b)) and cyclic ketones (1- (8a) and 2-indanone (10a), 1- (8b) and 2-tetralone (10b) and 1-benzosuberone (8c)) in DMSO and liquid ammonia as solvents. The carbanions derived from 4a,b, 8a, and 10b are novel nucleophiles that form new C-C bonds by the S(RN)1 mechanism.     

Cytotoxicity of syringin and 4-methoxycinnamyl alcohol isolated from Foeniculum vulgare on selected human cell lines

This study was carried out to determine the cytotoxic effect of seven plant extracts and the isolated compounds – syringin and 4-methoxycinnamyl alcohol – on cancerous and non-cancerous cells. The ethanol extract of Foeniculum vulgare was found to exhibit the most significant toxicity with an IC₅₀ value of 19.97 μg/mL on HeLa cells. Bioassay-guided fractionation led to the isolation of two compounds, syringin (1) and 4-methoxycinnamyl alcohol (2). Both compounds showed toxicity against MCF-7, HeLa and DU145 cancer cell line. The results showed that compound 2 showed high toxicity against all the cancer cell lines with IC₅₀ values of 14.24, 7.82 and 22.10 μg/mL, respectively. 4-Methoxycinnamyl alcohol also showed no apoptotic effect in cell cycle analysis after 48 h at a concentration of 10 μg/mL. However, DNA fragmentation study revealed that necrosis took place at a concentration of 10 μg/mL after 48 h exposure.     

Features of switchable multicomponent heterocyclizations of salicylic aldehydes and 5-aminopyrazoles with pyruvic acids and antimicrobial activity of the reaction products

Three-component reactions of 5-aminopyrazoles and salicylic aldehydes with pyruvic acids were studied. The method of tuning of the selectivity of the heterocyclizations allowing to change its direction by variation of the reaction parameters was worked out. The treatment involving pyruvic acid can be selectively directed to the formation to either 3-aryl-10,11-dihydro-4,10-methano-pyrazolo[4,3-c][1,5]benzoxazocine-4-carboxylic acids or 3,6-diarylpyrazolo[3,4-b]pyridine-4-carboxylic acids, while the reaction involving arylpyruvic acid leads only to 7-hydroxy-2,5,6-triaryl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-7-carboxylic acids. Antimicrobial activity of the compounds obtained was also studied: Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus) were found sensitive to the substances tested, however, only in the highest concentration.