Molecular adduct of amantadine ferulate presents a pathway for slowing in vitro/vivo releases and raising synergistic antiviral effects via dual optimization salification strategy

The first synthesized antiviral drug-nutriment molecular salt demonstrating simultaneous slowed-release and synergistically enhanced antiviral effects is studied theoretically and experimentally.

Spectral investigations of some piperidin-4-one molecular addition compounds

In the present study, some 2- and 3-substituted piperidin-4-ones (A1-A3) were chosen as proton acceptor and maleic anhydride was chosen as proton donor. Piperidin-4-ones (A1, A2 ---amp--- A3) were mixed with maleic anhydride in ether medium and the corresponding molecular adduct products (B1, B2 ---amp--- B3) thus obtained were collected and purified. The 1H and 13C NMR spectra were recorded for piperidine-4-one and their addition compounds. The 1H and 13C NMR chemical shifts of products (B1, B2 ---amp--- B3) are analyzed and compared with those of the corresponding piperidine-4-ones (A1, A2 ---amp--- A3). In order to confirm the formation of molecular addition compounds the GC-Mass spectrum was recorded for all adducts B1-B3 and the fragmentations patterns were analyzed.

Physical chemistry CeF4 complexes in organic solvents

The first complexes of cerium tetrafluoride in solutions were investigated by 19F NMR and IR spectroscopy. The temperature dependence of the 19F NMR spectra was, studied and it was concluded that mobile equilibrium exists between the molecular adduct and singly charged ionic forms, including geometric isomers. The static probability of stereoisomer formation [CeF4(dmso)4] was calculated using the square antiprism configuration and, based on the relative intensity of the 19F NMR resonance signals, they were assigned to possible stereoisomers. Quantum-chemical calculations of the structure of the isomer [CeF4(dmso)4], the isomer [CeF3(dmso)5]+ and [CeF5(dmso)3]-, showing their thermodynamic stability, were performed.

TTF derivative of 2,5-aromatic disubstituted pyrroles, experimental and theoretical study

ABSTRACTIn the last decades the interest in organic conductors has growth, so they have become the object of study of many research groups that are interested in developing new materials with important conducting properties. The charge transfer complexes (CTC) represent an important kind of organic conductors, because they exhibit high conductivity values, as well as versatility for their design.In this work, the charge transfer complex (CTC) formed by substituted pyrrole and tetrathiofulvalene (TTF) was obtained by means electrochemical synthesis, the resultant colored mix was characterized by Mass spectrometry, NMR and EPR studies, its intrinsic electronic behavior was measured by a four point probe method, besides theoretical calculations were carried out on the possible structures of the resultant molecular adduct. All the results show that there is a net transfer of an electron between both organic moieties in a solution giving place to a semiconductor species.

Lifetimes and stabilities of familiar explosive molecular adduct complexes during ion mobility measurements

The capability of TIMS-MS to measure explosives from complex mixtures via molecular adduct complexes and to measure relative stabilities and lifetimes is shown.