Rodovičius, Hiliaras

Tea (Camellia sinensis L.) is one of the most popular beverages around the world. Green tea (unfermented) and black tea (fully fermented) are produced from the leaves of the Camellia sinensis plant. Tea possesses antimicrobial, antioxidative, antihypertensive and anti-inflammatory properties [1]. Green tea leaves contain secondary metabolite such as catechins and its derivatives [2]. The aim of this work is to identify secondary metabolites and to determinate metabolic profile differences between green and black tea. The commercially available green and black teas leaves (Camellia sinensis L.) were grounded into powder and 30 mg of each tea powder were mixed with 1.5 ml of methanol, ethanol and acetonitrile solutions (v/v) by vortexing for 20 seconds. The mixture was then ultrasonicated for 10 minutes followed by centrifugation at 10,000 rpm for 10 minutes. The collected supernatant with the major tea metabolome were passed through a 0.22 μm membrane filter for LC/Q-TOF/MS (Agilent 1260 and Agilent 6530B) analysis [3]. Twentytwo green and black teas samples (n=3) with different concentration of methanol, ethanol and acetonitrile were analysed. Based on the received PCA data analysis, for further secondary metabolites identification and metabolic profile differences, aqueous methanol solutions (3:1) were used. PC1 variance (%) 36.99; cumulative variance (%) 36.99; PC2 variance (%) 25.80; cumulative variance (%) 62.79. The optimized black and green teas extracts are compared and some compounds are identified, for example: theasinensin A (green tea 915.1624; -1.04 ppm; black tea 915.1622; -0,82 ppm; 915,1614; log2(ZA/JA)=1,24); theasinensin B (green tea 763,1512; -0,93 ppm; black tea 763,1509; -0,54 ppm; 763,1505; log2A(ZA/JA)=1,4) and other compounds groups, such as kaempferol, catechin and quercetin derivatives and oxidation products. Aqueous methanol teas extracts (3:1) showed largest amount of extracted seco[...].

Young plants of clover (Trifolium pratense L. and T. medium L.), medick (Medicago sativa L. and M. lupulina L.), sainfoin (Onobry- chis viciifolia Scop.) and milkvetch (Astragalus glycyphyllos L. and A. cicer L.), were investigated for total contents of phenolics, flavonoids, isoflavones, condensed tannins and triterpene saponins as well as their extracts for antiradical and ferrous ion chelating activity. The impact of two sample drying methods on the aforementioned characters was compared. The phytochemical concentrations were higher in the freeze-dried legumes; however, antioxidant activities were generally higher of oven-dried samples. Both the composition of health promoting phytochemicals and antioxidant properties were strongly species-dependent. Among the species tested, Trifolium spp. were most abundant in isoflavones, Medicago spp. – in saponins and O. viciifolia – in tannins. Plants of T. medium and O. viciifolia were rich in TPC. The extracts of T. pratense, O. viciifolia and A. cicer possessed significant antiradical activity; the extracts from Astragalus spp. proved to be promising chelators of ferrous ion. We concluded that young perennial legumes could be considered as potential candidates for the development of nutraceuticals and functional food ingredients to accommodate the need for a particular bioactive component or property.

Naturally derived bioactive compounds with antioxidant activity and mineral component have a positive effect on human health. Consequently, legumes, including perennial species, have been used as healthy food or medicinal plants. Red clover (Trifolium pratense) and lucerne (Medicago sativa) have been researched more thoroughly for food components and supplements than zigzag clover (T. medium), black medick (M. lupulina), liquorice milkvetch (Astragalus glycyphyllos), cicer milkvetch (A. cicer) and sainfoin (Onobrychis viciifolia.) However, information is scarce about the distribution of mineral elements and phenolics in plants of these species as well as the antioxidant capacity of their extracts. In this study, we determined mineral composition and total phenolic concentration in seeds and whole aerial plant parts and morphological fractions of these perennial legumes, as well as antioxidant activity of extracts of the above-mentioned plant parts. The legume accessions chosen for this study were rich in potassium (K), calcium (Ca), magnesium (Mg), phosphorus (P), zinc (Zn) and iron (Fe), especially at branching growth stage, and thus could be used for mineral fortification of staple foods. Astragalus species, particularly seeds of A. glycyphyllos, were the richest source of Fe. Trifolium pratense, T. medium, O. viciifolia and A. cicer were valuable source of total phenolics and antioxidants. The flower and leaf extracts of red clover exhibited very strong 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity. In general, the tested perennial legumes and their plant parts have rich mineral composition and bioactive properties and they can be used as functional ingredients to accommodate the need for a particular mineral element or a bioactive property.

Introduction. Compounds containing 1,2,4-triazole and 1,2,3,4-thiatriazole moieties are an important class of heterocycle which possess diverse biological and pharmacological activities, including, anticancer, antibacterial, antitubercular and antifungal. Furthermore, broad activity of 1,2,4-triazole and 1,2,3,4-thiatriazole derivatives particularly against S. aureus could help to confirm and validate intracellular targets by tracing metabolites with LC-MS Q– TOF technique [1]. Aim. The main aim of this work is to synthesize various five membered heterocyclic compounds, which have antistaphylococcal properties and to evaluate the metabolomic profile of S. aureus Rosenbach subsp. aureus (ATCC® 25923TM). Methods. In order to obtain products with the triazole and 1,2,3,4-thiatriazole scaffolds the following reactions were performed: the cyclization of aminoguanidine oxalate and sodium hydrocarbonate in water; the recyclization of rhodanine with hydrazine in water; the diazotization reaction of thiosemicarbazide with sodium nitrite and hydrochloric acid in water. Thin layer chromatography (TLC) was used to monitor the rate of reaction. These compounds were determined by the means of melting point, FT–IR spectroscopy. Furthermore, for clarifying the chemical structures of derivatives used LC-MS (Q–TOF) technique [2]. Likewise, the whole metabolome profile evaluated of a microbial pathogen in the late growing phase. This procedure disposed after five membered heterocyclic compounds influence 10 µM vs 109 CFU S. aureus Rosenbach subsp. aureus (ATCC® 25923TM) [3]. Results. 3-amino-1H-1,2,4-triazole-5-carboxylic acid synthesized by cyclization reaction. Yield 77.3%, orange crystals (recryst. from a water), mp 182–183 oC. The structure of 1,2,4-triazole derivative determined by the means of FT–IR and MS spectral data respectively: 3231 (N–H), 2987 (C–H), 2893 (OH), 1677 (C=O), 1637 (N–H), 1447 (COOH); MS (E

Introduction Isatin, is a precursor for a large number of pharmacologically active compounds. The substitution of 3rd and 5th position of an isatin aromatic ring has been reported to be associated with antimicrobial properties (1). Although isatin derivatives mechanism against Staphylococcus aureus Rosenbach subsp. aureus (ATCC® 25923TM) is not clear, but using LC-MS (QTOF) technique we could identify intracellular targets by tracking metabolites, such as folate, DNA biological pathways. Aim The aim of this work is to synthesize 3rd and 5th substituted isatin compounds, which have antibacterial properties and to identify it metabolomic profile of S. aureus. Methods. In order to obtain the isatin derivatives the following reactions were performed: the chlorsulphonation reaction of isatin (2); the recyclization from boiling water. These compounds were determined by the means of melting point, FT–IR spectroscopy. Additionally for identifying the chemical structures of compounds LC-MS (Q–TOF) technique was used (3). Also, the whole metabolome profile of a microbial pathogen in the stationary phase was evaluated. This procedure was disposed after isatin derivatives influence 10 µM vs 109 CFU S. aureus Rosenbach subsp. aureus (ATCC® 25923TM) (3). Results. 2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonylchloride synthesized by nucleophilic substitution reaction. Yield 95 %, yellow powder (recryst. from a water), mp 150-152oC. The structure of 5-chlorsulfonisatin determined by the means of FT–IR and MS spectral data respectively: 1669,72; 1731,6 (C=O), 1616,92 (C=C), 1376,08 (S=O); 552 (S-Cl); MS (ESI): calcd mass 243,0311 Da for C8H4ClNO4S [M+Na] +; found 243,0304 Da. The treated and untreated samples of S. aureus Rosenbach subsp. aureus (ATCC® 25923TM) were prepared by lysation and injected in LC-MS (Q–TOF). Preliminary screening results showed, that the synthetic 5-chlorsulphonylisatin derivative inhibit the DNA synthesis pathway.The1,2-fold upexpression ch

Derivatives bearing tetrazole scaffold posses broad pharmacological activity. Due to the unique polyazo structure, mimicking many functional groups, tetrazole has specific bioisosteric properties, which are a useful tool in the drug R&D. Furthermore, tetrazole derivatives, particularly active against S. aureus, could help to identify intracellular targets by tracing metabolites with the LC-MS (QTOF) technique. [1] Aim The main aim of this work is to evaluate the metabolomic profile vs. S. aureus searching for potential intracellular targets by treating them with synthesized tetrazole derivatives. Methods In order to obtain derivatives with the tetrazole ring, cyclization or diazotization reactions were performed. The structure of synthetic compounds was determined by the means of FTIR and MS spectral data. Likewise, the metabolites of the S. aureus determinated in the late stationary phases after treatment with 10 µM of the synthetic tetrazole compound vs 109 CFU of the bacterium. [2] Results 5-Aminotetrazole synthesized by diazotization reaction yields 40%. The structure of tetrazole derivative determined by the means of FTIR and MS spectral data respectively: IR ʋ max /cm −1 : 3331 (NH), 1637(C=N), 1045(C-N), 997(NH2); HRMS (ESI+ ): calcd mass 86,0461 for CH3N5 [M+H]+ ; found 86,0454. The treated and untreated samples of S. aureus were prepared by lysation and injected in LC-MS (QTOF). Primary screening results showed, that the synthetic tetrazole derivative acts upon the RNA and the DNA synthesis pathway. The 3,5-fold change (log2(A1/A2) = 1,79) of S. aureus deoxycytidine diphosphate (dCDP) metabolite was observed suggesting that the tetrazole derivative could potentially target DNA polymerase, ribonucleotide reductase and nucleoside-diphosphate kinase (NDPK). This research is currently continued in order to evaluate more potential S. aureus intracellular targets. Conclusions The metabolomic profiling of the.

Introduction Rhodanines exhibiting broad range of significant biological and pharmacological activities such as: antidiabetic, anti-inflamatory, antiapoptotic, antiviral, antifungal, antibacterial. Recent data shows that rhodanine compounds bearing 5-arylidene moieties are active against both Staphylococcus aureus and MRSA (1). There are few methods to evaluate metabolic processes of pathogens: NMR, LC-MS, LC-MS Q-TOF, MALDI TOF, DESI, SIMS, NIMS. Aim. To synthesize new rhodanine derivatives with substituents in 5 position with possible antimicrobial activity against S.aureus by evaluating metabolomics profile. Methods. Modifications of a rhodanine ring were performed in a 5 position by the Knoevenagel condensation reaction using various aromatic aldehydes. The rate of reaction was monitorised using FT-IR spectroscopy and TLC methods. Moreover, metabolic profiling of S.aureus metabolites to precisely determine enzymatic targets was performed using LC-MS (Q–TOF) technique (2). The whole metabolome profile evaluated of a microbial pathogen in the stationary phase. This procedure disposed after rhodanine derivatives influence 10 µM vs 109 CFU S. aureus Rosenbach subsp. aureus (ATCC® 25923TM) (2). Results. (5Z)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one synthesized by Knoevenagel condensation reaction. Yield 67.2%, orange crystals (pur: flash column chromatography CHCl3:C6H6 ratio 9:1). The structure of Rhodanine derivative determined by the means of FT–IR and MS spectral data respectively: 1702,28 (C=O), 1603,90 (C=C), 1503,19 (N=O); MS (ESI): calcd mass 266.9830 Da for C10H6N2O3S2 [M+H] +; found 266.9813 Da. The treated and untreated samples of S. aureus Rosenbach subsp. aureus (ATCC® 25923TM) were prepared by lysation and injected in LC-MS (Q–TOF). Preliminary screening results showed, that the synthetic rhodanine derivative acts upon the DNA synthesis pathway and adenosyl tetraphos

Exposure to cadmium (Cd) is known to alter immune responses. Acanthopanax senticosus (Rupr. et Maxim.) Harms (AS) extract, an antioxidant-containing complex of phenolic compounds, tetracyclic triterpenoids/steroids, and polysaccharides, is known to produce Cd mobilization and excretion in vivo. Building upon earlier findings, the aim of the study was to evaluate the effects of an AS extract on Cd accumulation and changes in the presence of splenic immune cells in hosts during a chronic metal exposure. Chronic Cd exposure of BALB/c mice was induced by providing them solutions containing different levels of CdCl2 (25 or 250 mg/L) in double-distilled water, with/without a concurrent presence of AS root extract (approximately 151 g material/L), for 8 wk. At the study end, Cd levels in spleen were measured. Levels of key splenic immune cells, including macrophages, T-lymphocytes, and B-lymphocytes, were determined by immunohistochemistry using, respectively, CD68, CD3, and CD20 antibodies. The results indicated that chronic consumption of AS extract in the presence of the high dose of CdCl2 led to a significant decrease in Cd levels in mouse spleen. The effects of AS on the lower CdCl2 dose were less apparent. In addition, the presence of AS and Cd increased the amount of macrophages and both B and T lymphocytes in mouse spleen relative to concentrations that were lowered as a result of chronic metal only intake.

This study was undertaken on the basis of several reports in the literature that 4-Thiazolidinone derivatives are multipurpose compounds. 4-Thiazolidinone derivatives are a big and important cluster of heterocyclic compounds that beased on type and position of right substituent possesses miscellaneous biological activities including antifungal, antimicrobial, anti-inflammatory, anticonvulsant, antiviral, antibacterial, antitumor and even anti-diabetic (hypolipidaemic). Since there is a lot of information and assays on various 4-thiazolidinone derivatives but 3-Aminorhodanine, it was chosen as a fundamental pharmacophore based on its ability to act against fungus without any alterations of the molecule. 3-Aminorhodanine was combined with other pharmacophores and a series of 3-Aminorhodanine derivatives were synthesized in order to evaluate how the biological activity changes, depending on which position is substituted. It was interesting to examine whether structure – activity relationships verified for other 4-thiazolidinones are the same for 3-aminorhodanine. Also, as long as 3-aminorhodanine is known to have antimicrobial activity on its own, we were looking for a possibility to enhance it. Antimicrobial and antifungal activities of synthesized compounds were evaluated in vitro. Our results showed that biological activity actually depends on the substituent's position.