Moringa oleifera (drumstick tree)-nutraceutical, cosmetological and medicinal importance: a review.

Moringa oleifera Lam. (Moringaceae) is a species of tree with an increasing utility, occurring naturally mainly in Pakistan and northern India. M. oleifera is currently cultivated in Africa, South America, Asia and the Middle East. The usage of its leaves, seed oil, bark, fruits, flowers and roots has positive opinions of FDA (American Food and Drug Administration), EFSA (European Food Safety Authority) and CosIng (Cosmetic Ingredients database). The chemical composition of M. oleifera is dominated by: proteins (consisting mainly of amino acids such as arginine or serine), fatty acids (omega-3 and omega-6), vitamins (vitamin A, B and C and tocopherols), mineral salts (including several bioelements, such as calcium, magnesium, sodium, and potassium), valuable polyphenolic compounds from the group of phenolic acids (e.g., gallic acid, ferulic acid) and flavonoids (e.g., myricetin, rutoside, and kaempferol). The raw materials show antioxidant, hepatoprotective, anti-inflammatory and antimicrobial properties. Dietary supplements and alimentary products containing M. oleifera are recommended as health-promoting and "novel food" preparations. The main purpose of this work was a review of the latest scientific literature on M. oleifera, with particular emphasis on the studies focusing on its chemical composition, biological activity and safety. Moreover, the review tends to discuss the results of biotechnological studies using this material and the agronomical significance.

Chemical Studies of Multicomponent Kidney Stones Using the Modern Advanced Research Methods.

Defining the kidney stone composition is important for determining a treatment plan, understanding etiology and preventing recurrence of nephrolithiasis, which is considered as a common, civilization disease and a serious worldwide medical problem. The aim of this study was to investigate the morphology and chemical composition of multicomponent kidney stones. The identification methods such as infrared spectroscopy (FTIR), X-ray diffraction (XRD), and electron microscopy with the EDX detector were presented. The studies by the X-ray photoelectron spectroscopy (XPS) were also carried out for better understanding of their chemical structure. The chemical mapping by the FTIR microscopy was performed to show the distribution of individual chemical compounds that constitute the building blocks of kidney stones. The use of modern research methods with a particular emphasis on the spectroscopic methods allowed for a thorough examination of the subject of nephrolithiasis.

UV-C Seed Surface Sterilization and Fe, Zn, Mg, Cr Biofortification of Wheat Sprouts as an Effective Strategy of Bioelement Supplementation.

Metalloenzymes play an important role in the regulation of many biological functions. An effective way to prevent deficiencies of essential minerals in human diets is the biofortification of plant materials. The process of enriching crop sprouts under hydroponic conditions is the easiest and cheapest to conduct and control. In this study, the sprouts of the wheat (Triticum aestivum L.) varieties Arkadia and Tonacja underwent biofortification with Fe, Zn, Mg, and Cr solutions in hydroponic media at four concentrations (0, 50, 100, and 200 µg g-1) over four and seven days. Moreover, this study is the first to combine sprout biofortification with UV-C (λ = 254 nm) radiation treatment for seed surface sterilization. The results showed that UV-C radiation was effective in suppressing seed germination contamination by microorganisms. The seed germination energy was slightly affected by UV-C radiation but remained at a high level (79-95%). The influence of this non-chemical sterilization process on seeds was tested in an innovative manner using a scanning electron microscope (SEM) and EXAKT thin-section cutting. The applied sterilization process reduced neither the growth and development of sprouts nor nutrient bioassimilation. In general, wheat sprouts easily accumulate Fe, Zn, Mg, and Cr during the applied growth period. A very strong correlation between the ion concentration in the media and microelement assimilation in the plant tissues (R2 > 0.9) was detected. The results of the quantitative ion assays performed with atomic absorption spectrometry (AAS) using the flame atomization method were correlated with the morphological evaluation of sprouts in order to determine the optimum concentration of individual elements in the hydroponic solution. The best conditions were indicated for 7-day cultivation in 100 µg g-1 of solutions with Fe (218% and 322% better nutrient accumulation in comparison to the control condition) and Zn (19 and 29 times richer in zinc concentration compared to the sprouts without supplementation). The maximum plant product biofortification with magnesium did not exceed 40% in intensity compared to the control sample. The best-developed sprouts were grown in the solution with 50 µg g-1 of Cr. In contrast, the concentration of 200 µg g-1 was clearly toxic to the wheat sprouts.

Bioaccumulation Capacity of Onion (Allium cepa L.) Tested with Heavy Metals in Biofortification.

On a worldwide scale, A. cepa is among the most commonly consumed vegetables. In Europe, the leading onion producers are Russia, the Netherlands, Spain, Poland and Germany. In this study, the bioaccumulation of heavy metals (Cr, Cu, Zn, Ni, Fe, Mn, Co, Sr, Cd and Pb) by Allium cepa L. plants was followed under hydroponic conditions. The heavy metals were applied at six concentrations (0, 25, 50, 100, 200 and 400 mg L-1) over three weeks. The quantitative analysis of selected heavy metals in plant tissues (bulbs, roots and assimilation leaves) was performed using atomic absorption spectrometry with flame atomization (F-AAS). The accumulation of metal ions was strongly dependent on their concentrations in the solution and the analyzed parts of plants. The highest accumulation of metal ions was confirmed for the roots and ranged from 8.48 to 5912.34 µg g-1 DW (dry weight). All parts of A. cepa were characterized by the high accumulation of Mn2+. The lowest accumulation was confirmed for Co2+ in the roots, Pb2+ in the assimilation leaves and Cu2+ in the bulbs of onion. Moreover, the study showed that the highest concentrations of heavy metals decreased the growth of bulbs and even caused them to die off. In contrast, lower concentrations of some elements stimulated plant development.

Influence of Selective Extraction/Isolation of Heme/Hemoglobin with Hydrophobic Imidazolium Ionic Liquids on the Precision and Accuracy of Cotinine ELISA Test.

In this study, ionic liquids were used for the selective extraction/isolation of hemoglobin from human serum for cotinine determination using the ELISA Kit. The suitability of hydrophobic imidazolium-based ionic liquids was tested, of which OMIM BF4 (1-methyl-3-octylimidazolium tetrafluoroborate) turned out to be the most suitable for direct extraction of hemoglobin into an ionic liquid without the use of any additional reagent at one extraction step. Hemoglobin was separated quantitatively (95% recovery) from the remaining types of proteins remaining in the aqueous phase. Quantum mechanical calculations showed that the interaction of the iron atom in the heme group and the nitrogen atom of the ionic liquid cation is responsible for the transfer of hemoglobin whereas molecular dynamics simulations demonstrated that the non-covalent interactions between heme and solvent are more favorable in the case of OMIM BF4 in comparison to water. The opposite trend was found for cotinine. Selective isolation of the heme/hemoglobin improved the ELISA test's accuracy, depending on the cotinine level, from 15% to 30%.

Application of High-Performance Liquid Chromatography with Diode Array Detection to Simultaneous Analysis of Reference Antioxidants and 1,1-Diphenyl-2-picrylhydrazyl (DPPH) in Free Radical Scavenging Test.

Antioxidant activity can be analyzed by various methods, both in vitro and in vivo. The widely used colorimetric method using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging reaction has many limitations, such as interference from photosynthetic pigments naturally found in plant extracts. The DPPH-HPLC eliminates these troubles by enabling the separation of the DPPH free radical (DPPH-R) peak and its reduced form (DPPH-H) from other extract components. However, simultaneous analysis of antioxidants and evaluation of their activity is more complicated. To date, a post-column reaction with DPPH has been used for this purpose. The aim of the current study was the elaboration on a DPPH-RP-HPLC in gradient elution mode for simultaneous evaluation of the antioxidant activity of standards on the basis of DPPH-R peak inhibition, together with the identification of standards, as well as the products of redox reactions. The following antioxidants (AOs) were used as standards: quercetin, resveratrol, Trolox, chlorogenic acid, hesperetin, and coumarin. Flavone was used as the control chemical without antioxidant activity. The separation of the DPPH-R/DPPH-H pair, together with standards and reaction products, was studied on a C18 column using a gradient of acetonitrile from 5 to 60% within 20 min. The stability of DPPH was evaluated with different gradient profiles. The influence of the addition of acetic acid in concentrations of 0.05 to 1%, the duration of the analysis, and the radiation emitted by the UV lamp of a diode array detector on the induction of DPPH decomposition processes were investigated. The most significant parameter affecting DPPH stability appeared to be the acidic environment and water content in the mobile phase. An increase in the water content from 70 to 95% worsened the LOD of DPPH-R from 31.64 nM to 107.31 nM, as measured at 517 nm, and from 189.41 to 1677.05 nM at 330 nm. Each gradient profile provided good linearity (R2 = 0.9790-0.9977) of the relationship between the DPPH-R as well as DPPH-H peak areas, and a wide concentration range from 0.5 to 2.5 mM for UV-vis detection. Free radical scavenging activity was expressed by the percentage of DPPH-R peak inhibition at 517 nm. This simple method is suitable for monitoring DPPH radical scavenging by AO standards.

Hemodialysis Effect on the Composition of the Eye Fluid of Cataract Patients.

Numerous reports have proven that dialysis patients experience disturbances in the levels of elements in biological fluids. Disturbances in the homeostasis of essential elements or the appearance of highly toxic elements are serious problems also in clinical ophthalmology. The purpose of this study was to investigate the influence of hemodialysis (HD) on the elemental composition of anterior chamber aqueous humor (AH) in patients undergoing cataract surgery. The study involved 22 patients. The control group enrolled 16 patients (age 75.68 ± 9.67, female 54.55%, male 45.45%) with cataract and normal kidney function (control), and the second group included six patients (age 70.33 ± 12.74, female 33.33%, male 66.67%) with cataract undergoing HD treatment. The elements quantification was established using an inductively coupled plasma optical emission spectrometer (ICP-MS). In the eye fluid of dialysis patients, there were increased levels of manganese (Mn) and mercury (Hg) and decreased levels of vanadium (V) and zinc (Zn). In addition, a statistically significant increase in the Hg/Zn and Hg/selenium (Se) ratios and a lowering of the iron (Fe)/Mn ratio were observed in the studied group in comparison to the control. The obtained results indicated the need for Zn and Se supplementation in order to eliminate the hazards caused by Hg toxicity. A lower level of V in the eye fluid of dialysis patients may have a positive effect on maintaining a calcium and phosphorus homeostasis. Our study gives a deep insight into changes of elements concentrations in AH induced by HD.

The Multi-Elemental Composition of the Aqueous Humor of Patients Undergoing Cataract Surgery, Suffering from Coexisting Diabetes, Hypertension, or Diabetic Retinopathy.

The aim of the study was the multi-elemental analysis of aqueous humor (AH) collected from patients undergoing cataract surgery. The study included: 16 patients with age-related macular degeneration AMD (99 controls), 10 patients with retinopathy (105 controls), 61 patients with hypertension (54 controls), and 33 patients with coexisting diabetes (82 controls). The control groups were recruited from patients with a lack of co-existing disease characterizing the specified studied group. The measurements were performed by the use of inductively coupled plasma optical emission spectrometry (ICP-OES). The statistical analysis was carried out using non-parametric testing (Mann-Whitney U). The level of significance was set at p = 0.05. The data obtained revealed substantial variations in elemental composition between the test groups in comparison to the controls. However, the significant variations concerned only a few elements. The phosphorous (P) level and the ratio of P/Ca were significant in retinopathy and diabetes, whereas cobalt (0.091 ± 0.107 mg/L vs. 0.031 ± 0.075 mg/L; p = 0.004) was significant in AMD. In co-existing hypertension, the levels of tin (0.293 ± 0.409 mg/L vs. 0.152 ± 0.3 mg/L; p = 0.031), titanium (0.096 ± 0.059 mg/L vs. 0.152 ± 0.192 mg/L; p = 0.045), and ruthenium (0.035 ± 0.109 mg/L vs. 0.002 ± 0.007 mg/L; p = 0.006) varied in comparison to the controls. The study revealed inter-elemental interactions. The correlation matrices demonstrated the domination of the positive correlations, whereas negative correlations mainly concerned sodium.

Polymers Sorption Properties towards Photosynthetic Pigments and Fungicides.

In the present work, extraction with a solvent (cold acetone) was used to extract the assimilation pigments from spinach leaves. Then, the sorption capacity of selected plastics granules (polyvinyl chloride-PVC, polypropylene-PP, polyethylene-PE of different densities) was tested for the selective isolation of chlorophylls. Quantification of chlorophylls by HPLC (Zorbax Eclipse XDB-C18 column, the mobile phase: Acetonitrile/methanol/ethyl acetate 6:2:2, v/v) was based on chlorophyll-a content as the most common chlorophyll. The performed experiments prove that PVC containing electronegative chlorine exhibits favorable interactions toward chlorophyll by creating stable molecular complexes. The Fourier Transform Raman Spectroscopy (FT-Raman) and the molecular modeling were used to elucidate the structure of the created complexes. The optimal extraction requirements, the mass of sorbent, water-acetone ratio, time, and the composition of the elution solvent were all established. The optimized extraction conditions ensured a maximum extraction yield of chlorophylls of 98%. The chlorophyll-rich sorbent was re-extracted by acetone, leading to the recovery of 91% of chlorophylls in one step, adding the possibility of its re-use. The proposed effective and ecological method of obtaining the green dye from plants is cheap, simple, and efficient, avoiding organic solvents, utilizing the most widely used synthetic polymers in the world, being products difficult for utilization. The possibility to remove chosen fungicides cyprodinil, chlorothalonil, and thiabendazone from plant extract by PVC was also examined. The described method proposes a new application of synthetic polymers, which meets the criteria of sustainable green chemistry, simultaneously reaching the growing demand for pure natural compounds in the pharmaceutical and food industries.

Chiral Ionic Liquids: Structural Diversity, Properties and Applications in Selected Separation Techniques.

Ionic liquids (ILs) are chemical compounds composed of ions with melting points below 100 °C exhibiting a design feature. ILs are commonly used as the so-called green solvents, reagents or highly efficient catalysts in varied chemical processes. The huge application potential of ionic liquids (IL) justifies the growing interest in these compounds. In the last decade, increasing attention has been devoted to the development of new methods in the synthesis of stable chiral ionic liquids (CILs) and their application in various separation techniques. The beginnings of the successful use of CILs to separate enantiomers date back to the 1990 s. Most chiral ILs are based on chiral cations or chiral anions. There is also a limited number of CILs possessing both a chiral cation and a chiral anion. Due to the high molecular diversity of both ions, of which at least one has a chiral center, we have the possibility to design a large variety of optically active structures, thus expanding the range of CIL applications. Research utilizing chiral ionic liquids only recently has become more popular. However, it is the area that still has great potential for future development. This review aimed to describe the diversity of structures, properties and examples of applications of chiral ionic liquids as new chiral solid materials and chiral components of the anisotropic environment, providing chiral recognition of enantiomeric analytes, which is useful in liquid chromatography, countercurrent chromatography and other various CIL-based extraction techniques including aqueous biphasic (ABS) extraction systems, solid-liquid two-phase systems, liquid-liquid extraction systems with hydrophilic CILs, liquid-liquid extraction systems with hydrophobic CILs, solid-phase extraction and induced-precipitation techniques developed in the recent years. The growing demand for pure enantiomers in the pharmaceutical and food industries sparks further development in the field of extraction and separation systems modified with CILs highlighting them as affordable and environmentally friendly both chiral selectors and solvents.

Levels of Trace Elements in the Aqueous Humor of Cataract Patients Measured by the Inductively Coupled Plasma Optical Emission Spectrometry.

Trace elements play an important role in the pathogenesis of several serious ophthalmological disorders, such as glaucoma, age-related macular degeneration (AMD), diabetic retinopathy, cataract, etc. This study aimed to measure alterations of chemical elements' (67) levels in the aqueous humor of patients undergoing cataract surgery. The pilot study included 115 patients, (age 74 ± 7.27, female 64.35%, male 35.65%). The aqueous levels of elements were measured by the use of the inductively coupled plasma optical emission spectrometry (ICP-OES), quality controlled with certified standards. The classification of elements based on their concentration was achieved by hierarchical cluster analysis. This is the first screening study that quantifies over 60 elements which are present in the fluid from the anterior chamber of the eye of cataract patients. The obtained results can be suitable for understanding and identifying the causes that may play a role in the initiation and progression of lens opacity.

Levels of the Thiocyanate in the Saliva of Tobacco Smokers in Comparison to e-Cigarette Smokers and Nonsmokers Measured by HPLC on a Phosphatidylcholine Column.

The aim of the study was to estimate the thiocyanate levels in saliva of cigarette smokers in comparison to e-cigarette smokers and nonsmokers. To improve our understanding of the influence of smoking on the oral level of thiocyanate, we conducted an assessment of human saliva, in 24 individuals (eight tobacco smokers, eight e-cigarette smokers, and eight nonsmokers). High-Performance Liquid Chromatography with ultraviolet detection (HPLC-UV) using a unique phosphatidylcholine column was applied in this assay. Thiocyanate ion was detected directly by its absorbance at 210 nm. The method presents a new application of the IAM (Immobilized Artificial Membrane) column for quantification of inorganic anions. The whole process meets the criteria of green chemistry because it was carried out without the use of organic solvents. For compensating matrix effects, an eight-point standard addition protocol was used to quantify the thiocyanate level in saliva samples. The calibration graphs were linear in the range of 5-100 mg L-1 with a correlation coefficient higher than 0.99. The thiocyanate concentrations in the saliva of tobacco smokers, e-cigarette smokers, and nonsmokers were found in the range of 121.25-187.54 mg L-1, 121.24-244.11 mg L-1, 33.03-79.49 mg L-1, respectively. The present study indicates an obvious statistically significant elevation in salivary thiocyanate level in tobacco smokers in comparison to nonsmokers. The phosphatidylcholine-based stationary phase proved to be suitable for the detection and quantification of the thiocyanate ion. The salivary thiocyanate levels in e-cigarette smokers were not significantly different in comparison to tobacco smokers but higher if compared to nonsmokers. The criterion for statistical significance was p < 0.05.

HPLC-DAD Determination of Nitrite and Nitrate in Human Saliva Utilizing a Phosphatidylcholine Column.

The aim of this research was to optimize the separation and quantitative determination of nitrites and nitrates in human saliva. HPLC with UV absorption (HPLC/DAD) using a phosphatidylcholine column (IAM.PC.DD2 Regis HPLC) was applied in this assay. Nitrates were detected directly by their absorbance at 210 nm, whereas nitrites were detected after oxidation to nitrates by potassium permanganate at acidic conditions. The kinetics of the permanganate-nitrite reaction was measured chromatographically. The calibration graph for nitrates was linear in the range of 0.5-35 µg mL-1 with a correlation coefficient of 0.9999. The limit of detection was 4.56 ng mL-1. The calibration graph for nitrites (after oxidation to nitrates) was linear in the range of 0.5-15 µg mL-1 with a correlation coefficient of 0.9972. The limit of detection was 4.21 ng mL-1. The nitrate concentrations in the saliva samples were found in the range of 8.98-18.52 µg mL-1, whereas nitrite was in the range of 3.50-5.34 µg mL-1.

HPLC-DAD Determination of Iodide in Mineral Waters on Phosphatidylcholine Column.

Iodine is an essential nutrient necessary for the production of thyroid hormones. A valuable source of iodide, which is the bio-available iodine form could be mineral waters offered by different spas. In this work, the method capable of direct determination of iodide in mineral water samples based on IAM liquid chromatography on the phosphatidylcholine column (IAM.PC.DD2 Regis HPLC) with DAD detection without sample pretreatment or any pre-concentration steps is presented. The calibration graph for iodide was linear in the range of 0.5⁻10.0 mg L-1 with a correlation coefficient of 0.9996. The limit of detection was 22.84 ng mL-1. The relative recoveries were in the interval of 98.5⁻100.2% and the repeatability, expressed as a relative standard deviation (RSD) was less than 5%. The RSA (Response Surface Analysis) investigated the effect of the sample concentration and the injection volume. The iodide concentrations in the mineral water samples ranged from 0.58 to 2.88 mg L-1. The accuracy of the method was assessed through independent analysis by ICP-MS. Iodide levels measured by these two procedures did not significantly differ. The effects of interfering ions like HCO3-, Cl-, SO42-, F-, and Br- were also tested. The analysis has shown insignificant differences in the values of the iodide peak area and its height measured in multicomponent mixtures with an error smaller than 5%.

Solid-phase extraction using octadecyl-bonded silica modified with photosynthetic pigments from Spinacia oleracea L. for the preconcentration of lead(II) ions from aqueous samples.

Spinacia oleracea L. extract was immobilized on an octadecyl-bonded silica surface to produce a new sorbent for the solid-phase extraction of trace amounts of metal ions from aqueous neutral samples. A measurement of the metal content has been performed by using graphite furnace atomic absorption spectroscopy. The affinity of the investigated bivalent metal cations for the modified sorbent are in the order: Pb(II) > Cu(II) > Ni(II) > Zn(II) ≈ Cd(II) ≈ Co(II). The quantum-chemically calculated chlorophyll-a-metal ion binding energies were consistent with the measured affinities of the corresponding metal ions to the investigated sorbent. The maximum sorption capacity obtained for Pb(II) was equal to 1.44 µmol/g. The value of lead uptake was significantly higher in comparison to the one reported for other sorbents and biosorbents. Immobilized chlorophyll a is responsible for a chelation process with stoichiometry 1:1 owing to the porphyrin rings, which was confirmed by the quantitative analysis performed by reversed-phase high-performance liquid chromatography with diode array detection. The Toth adsorption isotherm model was applicable to the description of the adsorption process of either chlorophyll a or Pb(II). The structural analysis of sorbent was done using Fourier-transform Raman spectroscopy and scanning electron microscopy with an energy dispersive X-ray detector.

Effective phospholipid removal from plasma samples by solid phase extraction with the use of copper (II) modified silica gel cartridges.

The new sorbent for solid phase extraction (SPE), based on silica gel modified with a copper (II), was obtained and its application for phospholipids removal from the human plasma was tested. SPE column conditioning requirements, the volume of the plasma, the composition of the elution solvent were all established. The efficacy of the removal of phospholipids was compared for different methods such as standard protein precipitation or HybridSPE Phospholipid Ultra and HybridSPE-PPT. The sample clean-up was verified by mass spectrometry (MS) and by monitoring of chromatograms in the region between 190nm and 400nm. The Fourier Transform Infrared Spectroscopy FT-IR and confocal Raman microscopy were used to evaluating the silica gel modifications and to show the structure of lipids confined in the silica pores.

Natural terpene derivatives as new structural task-specific ionic liquids to enhance the enantiorecognition of acidic enantiomers on teicoplanin-based stationary phase by high-performance liquid chromatography.

We present the specific cooperative effect of a semisynthetic glycopeptide antibiotic teicoplanin and chiral ionic liquids containing the (1R,2S,5R)-(-)-menthol moiety on the chiral recognition of enantiomers of mandelic acid, vanilmandelic acid, and phenyllactic acid. Experiments were performed chromatographically on an Astec Chirobiotic T chiral stationary phase applying the mobile phase with the addition of the chiral ionic liquids. The stereoselective binding of enantiomers to teicoplanin in presence of new chiral ionic liquids were evaluated applying thermodynamic measurements and the docking simulations. Both the experimental and theoretical methods revealed that the chiral recognition of enantiomers in the presence of new chiral ionic liquids was enthalpy driven. The changes of the teicoplanin conformation occurring upon binding of the chiral ionic liquids are responsible for the differences in the standard changes in Gibbs energy (ΔG0 ) values obtained for complexes formed by the R and S enantiomers and teicoplanin. Docking simulations revealed the steric adjustment between the chiral ionic liquids cyclohexane ring (chair conformation) and the ß-d-glucosamine ring of teicoplanin and additionally hydrophobic interactions between the decanoic aliphatic chain of teicoplanin and the alkyl group of the tested salts. The obtained terpene derivatives can be considered as "structural task-specific ionic liquids" responsible for enhancing the chiral resolution in synergistic systems with two chiral selectors.

Adsorption Kinetics at Silica Gel/Ionic Liquid Solution Interface.

A series of imidazolium and pyridinium ionic liquids with different anions (Cl(-), Br(-), BF4(-), PF6(-)) has been evaluated for their adsorption activity on silica gel. Quantification of the ionic liquids has been performed by the use of RP-HPLC with organic-aqueous eluents containing an acidic buffer and a chaotropic salt. Pseudo-second order kinetic models were applied to the experimental data in order to investigate the kinetics of the adsorption process. The experimental data showed good fitting with this model, confirmed by considerably high correlation coefficients. The adsorption kinetic parameters were determined and analyzed. The relative error between the calculated and experimental amount of ionic liquid adsorbed at equilibrium was within 7%. The effect of various factors such as initial ionic liquid concentration, temperature, kind of solvent, kind of ionic liquid anion and cation on adsorption efficiency were all examined in a lab-scale study. Consequently, silica gel showed better adsorptive characteristics for imidazolium-based ionic liquids with chaotropic anions from aqueous solutions in comparison to pyridinium ionic liquids. The adsorption was found to decrease with the addition of organic solvents (methanol, acetonitrile) but it was not sensitive to the change of temperature in the range of 5-40 °C.

RP-HPLC analysis and in vitro identification of antimycobacterial activity of novel thiosemicarbazides and 1,2,4-triazole derivatives.

It has been widely recognized that chromatography can be applied to derive parameters useful for anticipation of the pharmacological properties of xenobiotics. The purpose of this study was to evaluate the use of C18 stationary phase in chromatographic experiments as to assess antimycobacterial activity of series of novel thiosemicarbazides and their cyclization products: 1,2,4-triazole derivatives. Chromatographically determined lipophilicity descriptors log k(w), S and φ0 and computer generated molecular descriptors were obtained for 32 compounds and Rifampicin as a representative anti-tuberculosis drug. As experimental parameters were not significantly related to the calculated values, the data were analyzed by the principal component analysis PCA allowing for the extraction of "dipole moment" and "energy due to solvation" as the most powerful parameters from large set of diverse data. The approach ranked the examined analytes as active and inactive against Mycobacterium strains. More significant clustering of examined compounds was achieved by construction of 3D graph relating computational (dipole moment, energy due to solvation) and experimental log k(w) (MeOH) descriptors. It was proved that lack of substituent in the C5 position in the triazole ring appears to be characteristic for active derivatives. Provided conclusions can be taken into account in planning further synthesis of new derivatives with antimycobacterial activity.