This study investigates heterocyclic gamma-butyrobetaine (GBB) analogs as metabolic modulators through an integrated approach involving rational design, molecular docking, synthesis, and in vitro evaluation. The compounds synthesized demonstrated promising inhibitory potential toward carnitine acetyltransferase (CAT) presumably other enzymes within the transferase family, with IC50 values ranging from 2.24 to 43.6 mM. Notably, some superior activity reference drug Meldonium (IC50 = 11.39...

A series of new 3-alkyl substituted cis- and trans-(±)-3,4-dihydro-6,7-dimethoxy-1-oxo-1H-isochromene-4-carboxylic acids (cis-/trans-1-3) was synthesized through the reaction 6,7-dimethoxyhomophthalic anhydride with aliphatic aldehydes varying chain lengths. Their structure configuration were elucidated using spectral methods, including 1H-, 13C-, DEPT-135-NMR, HRMS analyses. deductive conformational analysis performed for determining preferred conformations in solution to explain observed...

A series of new 3-alkyl substituted cis- and trans-(±)-3,4-dihydro-6,7-dimethoxy-1-oxo-1H-isochromene-4-carboxylic acids (cis-/trans-1–3) was synthesized through the reaction 6,7-dimethoxyhomophthalic anhydride with aliphatic aldehydes varying chain lengths. Their structure configuration were elucidated using spectral methods, including 1H, 13C, DEPT-135 NMR, FTIR, UV-Vis, HRMS analyses. deductive conformational analysis performed for determining preferred conformations in solution to...

In order to examine the influence of alkyl chain length on some physical properties guanidinium salts, synthesis a homologous series new N″-n-alkylsubstituted N,N-diethyl-N′ ,N′- di-n-propyl-N″-n-hexyl ionic liquids (gILs), containing chloride (Cl), tetrafluoroborate (BF 4 ), acesulfamate (Ace), saccharinate (Sac), and tosylate (Tos) as anions, is reported. C n -gILAce, -gILSac, -gILBF were obtained by ion exchange reaction corresponding hexasubstituted chlorides (C -gCl, = 3, 4, 6, 8, 10),...

A new method for prediction of fundamental physical properties ionic liquids (ILs) is proposed. The Residual Volume Approach (RVA) allows the estimation density and viscosity unknown ILs, using a simple linear correlation between given property newly defined substituent parameter β X . proposed has been developed 50 n -alkyl-substituted imidazolium tetraalkylammonium salts in homologous series ILs extended viscosity, which also correlates linearly with corresponding In addition, parameters...

A series of aqueous solutions hydrophilic ionic liquids (ILs) were examined as extractive systems in the recovery galantamine from plant material Leucojum aestivum L. The extractions carried out both at room temperature and conventional heating conditions. influence various factors on extraction efficiency was comprehensively studied. conducted comparative analysis with methods showed higher ability ILs-based for significantly reduced times. results obtained implemented a new HPLC method...

The Residual Volume Approach (RVA), a recently developed method for the prediction of fundamental physical properties ionic liquids (ILs) is extended and now allows estimation conductivity unknown ILs, using simple linear correlation between previously defined substituent parameters - β x . proposed applied to correlations 61 n-alkyl substituted imidazolium, tetraalkylammonium, pyrrolidinium, piperidinium, sulfonium phosphonium homologous containing [BF 4 ]−, [Tf 2 N]−, [C F 5 PF]−, [CF 3 BF...

The polarity of a series 36 hexaalkylguanidinium-based room-temperature ionic liquids (RTILs), featuring different unbranched alkyl substituents in the cation and eight anions, has been determined by means Reichardt’s solvatochromic betaine dye; E T (30) corresponding normalized N values are presented. positively probe 5-dimethylamino-5´-nitro-2,2´-bithiophene was used to characterize unspecific solvent/solute interactions (effects dipolarity/polarizability) ten hexaalkylguanidinium and, for...

A series of sixteen polyhydroxylated trans-restricted 2-arylcinnamic acid analogues 3a–p were synthesized through a one-pot reaction between homophthalic anhydrides and various aromatic aldehydes, followed by treatment with BBr3. The structure the newly compounds was confirmed spectroscopic methods configuration around double bond unequivocally estimated means gated decoupling 13C-NMR spectra. It shown that trans-cinnamic fragment incorporated into target compounds’ ensures cis-configuration...

The possibility for simultaneous controlled partition of the biologically active alkaloid S-(+)-glaucine, presented in a crude ionic liquid-aqueous plant extract, and separation liquid (IL) employed by means liquid-based aqueous biphasic systems (IL-ABS) was investigated this study. ABS were formed addition inorganic salts with distinct water-structuring properties such as Na2CO3, MgSO4, (NH4)2SO4, NaH2PO4 to an enriched glaucine extract Glaucium flavum Cr. (Papaveraceae). influence salt...

The partition coefficients, Kmim, of N-methylimidazole (mim) in two-component systems composed ionic liquid (IL) and a series organic solvents immiscible with ILs (butyl acetate, ethyl tert-butyl methyl ether, diethyl ether cyclohexane) were determined by shake-flask method. influence different factors such as temperature, solvent polarity, mim concentration, water content on Kmim using 1-butyl-3-methylimidazolium chloride {[C4C1im]Cl} model compound was comprehensively studied. calculated...