Impact of Alkyl Spacer and Side Chain on Antimicrobial Activity of Monocationic and Dicationic Imidazolium Surface-Active Ionic Liquids: Experimental and Theoretical Insights.

This study investigates a series of surface-active ionic liquids (SAILs), including both imidazolium monocationic and dicationic compounds. These compounds are promising candidates, as they combine unique surface properties with antimicrobial activity, aligning with modern trends in chemistry. The research encompasses synthesis, thermal analysis, and topographical assessment, focusing on the impact of the amphiphilic cationic moiety, alkyl chain length, and the spatial relationship between the imidazolium ring and the phenyl substituent on the compounds' physicochemical behavior.

Effect of hydrostatic pressure on charge carriers in a conducting pyrrole--poly(pyrrole-3-carboxylic) copolymer.

The charge carriers in conducting pyrrole--poly(pyrrole-3-carboxylic) were examined using high-pressure Raman spectroscopy. The molecular structure of the new copolymer was investigated using high-resolution C ssNMR, H-C 2D NMR correlation spectroscopy, and density functional theory (DFT) calculations. Bands in Raman spectra that showed the presence of polarons and bipolarons were studied.

Proton tautomerism and stereoisomerism in 5-[(dimethylamino)methylidene]-4-[3/4-(trifluoromethylphenyl)amino]-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.

5-[(Dimethylamino)methylidene]-4-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-2(5H)-one and the [4-(trifluoromethyl)phenyl]amino derivative, both CHFNOS, with the trifluoromethyl group substituted at the arene ring at the meta and para positions, were synthesized to study the structural changes associated with proton tautomerism of the amidine system. The studied compounds were found to be in the amine tautomeric form in both the solid and the liquid (dimethyl sulfoxide solutions) phase. In both isomers, the [(trifluoromethyl)phenyl]amino residue assumes a synperiplanar conformation with respect to the thiazolone system, while the 5-[(dimethylamino)methylidene] residue adopts the Z configuration.

Helical model of compression and thermal expansion.

A negative linear temperature expansion and a negative linear compressibility were observed for imidazolium benzoate salt. Its strongly anisotropic strain induced by the temperature and pressure changes has been explained by the mechanism of H-bonded helices deformed in the structure. X-ray diffraction and vibrational spectroscopy were used to analyze interactions in the crystal.

Proton tautomerism in 5-dimethylaminomethylidene-4-(o-,m-,p-hydroxyphenyl)amino-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.

Three new 5-dimethylaminomethylidene-4-phenylamino-1,3-thiazol-2(5H)-ones with an hydroxyl group in the ortho, meta and para positions on the phenyl ring were synthesized in order to deduce the structural changes occurring on prototropic tautomerism of the amidine system. The existence of all the title compounds solely in the amino tautomeric form has been established in the solid and liquid (dimethyl sulfoxide solution) phases. The title compounds are analyzed from the point of view of the electronic effects and conformational freedom of their molecules.

Spectroscopic and Structural Study of a New Conducting Pyrazolium Salt.

The increase in conductivity with temperature in 1-pyrazol-2-ium 2,6-dicarboxybenzoate monohydrate was analyzed, and the influence of the mobility of the water was discussed in this study. The electric properties of the salt were studied using the impedance spectroscopy method. WB97XD/6-311++G(d,p) calculations were performed, and the quantum theory of atoms in molecules (QTAiM) approach and the Hirshfeld surface method were applied to analyze the hydrogen bond interaction.

Toward a new type of proton conductor based on imidazole and aromatic acids.

A new approach towards achieving proton conducting materials based on aromatic acids and heterocyclic bases was proposed. It can lead to a new material in which all hydrogen bonding interactions are of medium or weak strength and rotations of the base and acid molecules are possible. If the above conditions are met, one can expect a high value of proton conductivity governed by the Grotthuss mechanism.

Proton conducting system (ImH)SeO·2HO investigated with vibrational spectroscopy.

Imidazolium selenate dihydrate (ImH)SeO·2HO crystals have been investigated using Raman and IR spectroscopy. Experimental data were supported by the quantum-chemical calculations (DFT), Hirshfield surfaces and fingerprint plots analysis, and Bader theory calculations. The imidazolium selenate dihydrate crystal exhibits high proton conductivity of the order of ~10S/m at T=333K.

Beam pen lithography as a new tool for spatially controlled photochemistry, and its utilization in the synthesis of multivalent glycan arrays.

Herein, we describe how cantilever-free scanning probes can be used to deposit precursor material and subsequently irradiate the precursor to initiate polymerization, resulting in a 3D lithographic method wherein the position, height and diameter of each feature can be tuned independently. Specifically, acrylate and methacrylate monomers were patterned onto thiol terminated glass and subsequently exposed to UV light produced brush polymers by a photoinduced radical acrylate polymerization reaction. Here, we report the first examples of glycan arrays, comprised of methacrylate brush polymers that are side-chain functionalized with α-glucose, by this new lithographic approach.