The aim of this study is investigating the transport mechanism of ibuprofen chiral isomers inside single wall carbon nano tube (SWCNT) using mathematical modeling. To achieve this goal, molecular dynamics simulation has been performed to evaluate the interactions of ibuprofen isomers with SWCNT in an aqueous solution. Results show that both chiral forms of ibuprofen molecules enter and remain i...

Carbon nanotubes (CNTs) are specific structures with valuable characteristics. In general, the structure of each nanotube is defined by a unique chiral vector. In this paper, different structures of short single-walled CNTs are simulated and their mechanical properties are determined using finite element method. For this aim, a simple algorithm is presented which is able to model the geometry o...

the high performance liquid chromatography (hplc) enantioseparation of four β-blocking agents metoprolol, bisoprolol, propranolol and atenolol was performed on amylose tris-(3,5-dimethylphenylcarbamate) chiral stationary phase using n-hexane-ethanol-diethylamine (dea) as the mobile phase and related chiral recognition mechanisms were discussed. enantiomeric separation of the fourβ-blockers was ...

Among the new generation photovoltaics, perovskite solar cell (PSC) technology reached top efficiencies in a few years. Currently, main objective to further develop PSCs is related fabrication of stable devices with cost-effective materials and reliable processes achieve possible industrialization pathway. In n-i-p device configuration, hole transporting material (HTM) used most highly doped or...

A new class of highly functionalized tetrahydroisoquinolines with a quaternary carbon stereocenter was synthesized starting from an easily accessible L-tartaric acid. Nine strains of bacteria (Staphylococcus aureus, Streptococcus pyogenes, Streptococcus mutans, Streptococcus salivarius, Bacillus subtilis, Enterococcus faecalis, Moraxella catarrhalis, Escherichia coli, Campylobacter jejuni) were...

Four high triplet organic semi-conductors based on the donor-spiro-acceptor design (D-spiro-A) have been synthesized. Their physicochemical and photophysical properties have been studied, compared and discussed in light of the nature of their respective donor/acceptor units. The four compounds have been used as host materials in efficient sky-blue (EQE 4 10% at 10 mA cm ) phosphorescent organic...

In the title spiro-indeno-quinoxaline compound, C(22)H(14)N(6)O·C(2)H(6)O, the five-membered ring of the indene unit and the pyran ring are perpendicular [89.11 (3)°]. In the crystal, N-H⋯N hydrogen bonds connect the spiro-indeno-quinoxaline mol-ecules, and the ethanol solvent mol-ecules complete the hydrogen-bond network via O-H⋯N and N-H⋯O inter-actions.

A series of functionalized spiro[indoline-3,2'-oxiran]-2-ones was efficiently synthesized by Darzens reaction of phenacyl bromides with isatins both with N-alkyl groups and without N-substituent in the presence of potassium carbonate as a base catalyst. When two equivalents phenacyl bromides were used in the reaction, the N-substitution reaction of isatin also finished with the formation of spi...