Abstract
Chemotherapy is one of the main treatment options for cancer, but it is usually accompanied with negative side effects. The classical drugs combination with synergistic adjuvants can be the ...solution to this problem, allowing reducing therapeutic dose. Elucidating the mechanism of adjuvant action is of key importance for the selection of the optimal agent. Here we examine the system drug-adjuvant to explain the observed effect in practice. We used the first line drug cisplatin. Morpholinium and 4-methylpiperazinium 4,5-dichloro isothiazol-3-carboxylates were selected as adjuvants. The study of the cisplatin-adjuvant system was carried out by quantum chemical modeling using DFT. It turned out that adjuvants form conjugates with cisplatin that lead to the relocation of frontier molecular orbitals as well as increase of conjugate’s dipole moment. It resulted in change of the interaction character with DNA and increase of the bioactivity of the system. The data obtained are the basis for expanding the studies to include other drugs and adjuvants. Oncologists will have opportunity to use “classical” chemotherapy drugs in combination with synergists for those patients who have not been previously recommended to such a treatment because of pronounced toxic side effects.
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•Synthesis of hitherto unavailable chalcone sulfonyl halides was achieved.•For every condensation case the optimal reaction conditions were developed.•The halogen type and ...substituents impact the reactivity of the sulfonyl halides.
A library of 4′-chloro- and 4′-fluorosulfonyl-substituted chalcones was prepared via the aldol-type condensation reactions of 4-acetylbenzene-1-sulfonyl halides with various aromatic aldehydes, either in absolute ethanol or glacial acetic acid, in the presence of dry HCl. This represents the first examples of chalcone sulfonyl halides in which the phenone ring bears one of these functional groups. The reactivity of the chalcone sulfonyl halides were strongly dependent on the styrene ring substituents; sulfonyl chlorides reacted with most nucleophiles (e.g. amines, alcohols), while sulfonyl fluorides reacted only with charged nucleophiles (e.g. phenolates).
In this work, 1,4-dioxane-mediated hydroxylhydrative aza-cyclization of 2-alkynylbenzamide is developed for the synthesis of 3-hydroxylisoindolin-1-ones. The transformation proceeds smoothly in water ...with good yields and a broad reaction scope. Mechanistic studies show that regioselective brimonative 5-exo-dig aza-cyclization, bromohydration of the resulting alkene groups, and hydrolysis of dibromo compounds are involved. Compared to the traditional methodologies, the synthetic procedure reported herein represents a cleaner route toward 3-hydroxylisoindolin-1-ones.
•Optimization of new azomethine dyes by DFT calculations.•Investigation of electronic spectra and electronic properties of new dyes.•FMO, MEP and NBO analysis of the new compounds.•Study of ...polarization properties of PVA-films containing new compounds.•Investigation of anisotropy of thermal and electrical conductivity of PVA-films.
In the present work, the quantum chemical calculations of the molecular structures of the two newly synthesized dichroic dyes:
2-methoxy-4-((1E)-((4-(phenyldiazenyl)phenyl)imino)methyl)phenyl isonicotinate (IN-1);
2-methoxy-5-((1E)-((4-(phenyldiazenyl)phenyl)imino)methyl)phenyl isonicotinate (IN-2) have been predicted using Density Functional Theory (DFT) in solvent dimethylformamide (DMF). The geometries of the dichroic dyes were optimized using the B3LYP/6-311+G* level of the theory. In addition, the electronic spectra of these compounds in solvent DMF were carried out using the same method. After quantum-chemical calculations dichroic dyes for optoelectronic applications were synthesized. Based on polyvinyl alcohol (PVA) and the new synthesized azomethine dyes polarizing films for UV/Vis regions of the spectrum were developed. The main optical parameters of polarizing PVA-films (Transmittance and Polarization Efficiency) have been measured and discussed.
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To increase the in vivo stability of cationic gene carriers and avoid the adverse effects of their positive charge, we synthesized a new shielding material by conjugating low molecular weight ...polyethylene glycol (PEG) to a hyaluronic acid (HA) core. The HA-PEG conjugate assembled with the positively charged complex, forming a protective layer through electrostatic interactions. DNA/polyetherimide/HA-PEG (DNA/PEI/HA-PEG) nanoparticles had higher stability than both DNA/polyethyleneimine (DNA/PEI) and DNA/PEI/HA complexes. Furthermore, DNA/PEI/HA-PEG nanoparticles also showed a diminished nonspecific response toward serum proteins in vivo . The in vivo transfection efficiency was also enhanced by the low cytotoxicity and the improved stability; therefore, this material might be promising for use in gene delivery applications.
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•2D covalent organic films of calix4arenes were created via Langmuir-Blodgett method.•Photoactive groups: naphthyls, chalcones and azides, were used for crosslinking.•Film thickness ...of 1–1.5 nm and wetting angles up to 100° were achieved.
A series of 14 macromolecular derivatives of resorcinarenes and thiacalix4arenes bearing alkyl chains (up to -C11H23) and different photoreactive groups (chalcone sulfonyl, naphthyl (Np), alkyl azide (Alk-N3)) was synthesized. The obtained compounds were used to design monomolecular 2D films by the Langmuir-Blodgett method at the air/water interface using ultraviolet-assisted covalent crosslinking. It was found that the alkyl azide derivatives can effectively form cross-copolymerized two-dimensional films with the thickness of 0.8-1.5 nm, which was revealed with the help of atomic force topography. A controversial effect of UV irradiation on the film topography, namely, ordering and disordering of the film structure, was observed. The effect of donor and acceptor substituents in styrene ring of chalcone sulfonyl (carbonyl) chlorides on the wetting angle of the films and its dependence on concentration of voids in a coating, were also studied. It was found that the most ordered 2D structures are formed for compounds with a sterically balanced set of substituents.
Abstract To increase the in vivo stability of cationic gene carriers and avoid the adverse effects of their positive charge, we synthesized a new shielding material by conjugating low molecular ...weight polyethylene glycol (PEG) to a hyaluronic acid (HA) core. The HA-PEG
conjugate assembled with the positively charged complex, forming a protective layer through electrostatic interactions. DNA/polyetherimide/HA-PEG (DNA/PEI/HA-PEG) nanoparticles had higher stability than both DNA/polyethyleneimine (DNA/PEI) and DNA/PEI/HA complexes. Furthermore, DNA/PEI/HA-PEG
nanoparticles also showed a diminished nonspecific response toward serum proteins in vivo. The in vivo transfection efficiency was also enhanced by the low cytotoxicity and the improved stability; therefore, this material might be promising for use in gene delivery applications.
Time-resolved luminescence as well as excitation and reflectivity spectra of the oriented lead and barium molybdate single crystals were studied using synchrotron radiation. Features in reflectivity ...spectra in the fundamental absorption region were analyzed. The contribution of electronic states of lead cation to the formation of the bandgap in PbMoO4 is supposed. The role of lead states in the intrinsic luminescence of PbMoO4 is discussed.
Reaction between 4-formyl-2-methoxyphenyl 4,5-dichloroisothiazole-3-carboxylate with various aromatic amines led to azomethins 2-7 formation. By treatment of azomethins 2-7 with sodium ...triacetoxyborohydride corresponding amines 8-11 were obtained. During the bioassays of new vanillin derivatives in mixtures with insecticides remarkable synergetic effect was discovered.
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