Supplementary material for the article: Ristivojević, P.; Morlock, G. E. High-Performance Thin-Layer Chromatography Combined with Pattern Recognition Techniques as Tool to Distinguish Thickening Agents. Food Hydrocolloids 2017, 64, 78–84. https://doi.org/10.1016/j.foodhyd.2016.10.005

Supplementary material for: [https://doi.org/10.1016/j.foodhyd.2016.10.005 ]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2371]Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/3217

Fatty acids composition of the most common bivalves in Korean diet

Consumption of bivalve molluscs, such as oysters, mussels, clams and scallops, makes a significant part of the daily Korean diet. Bivalves provide high quality proteins with all the dietary-essential amino acids, lipids, vitamins, minerals and other bioactive nutrients, which offer a variety of health benefits to the consumer [1]. This food contains less than 5 percent of total fat, so it is considered a low-fat food. Beside the amount of total fat, the proportions of saturated, monounsaturated and polyunsaturated fatty acids (FA) (S, M and P, respectively), as well as ratio of n-3 (ω-3) and n-6 (ω-6) P in food are very important for the health diet [2]. Fourteen species of bivalves Anadara broughtonii (AB), Ruditapes philippinarum (Manila clam (RP)), Tegillarca granosa (TG), Pecten yessoensis (Yesso scallop (YS), Argopecten spp. (small scallop (SS), Chlamys farreri farreri (CF), Cyclina sinensis (CS), Leukoma jedoensis (LJ), Mytilus califorianus (MCa) Mytilus galloprovancialis (MG), Maretrix lusoria (ML), Mactra quadrangularis (MQ), Sinovacula constricta (SC) and Crassostrea gigas (Pacific oyster (PC)) were bought in two fish markets in Incheon, Korea, in order to determine FA composition using GC/EI-MS of fatty acid methyl esters (FAME). The FAME were identified by comparing their retention times with those of the FAME standards or by comparing their mass spectra with those stored in the NIST Mass Spectral Library. In the bivalve samples, 43 different FA were identified, of which 10 were S, 12 M and 13 P, other FA were 7 methyl-FA and 1 hydroxyl-FA. The P/S ratio and ω-6/ω-3 P ratio are the most significant markers of lipid composition in a healthy diet and both should be close to 1 [3]. Among analysed species, only YS and SS have P/S ratio close to 1 (1,20 and 1.16, respectively), while other species have value between 0.07 and 0.73. The obtained values for ω-6/ω-3 P ratio were from 0.008 to 0.55, which indicates that bivalve molluscs are the valuable source of ω-3 P (EPA and DHA). These ω-3 P play important roles in growth, development, and maintenance of health

Determination of chemical composition antioxidative and antimicrobial properties of poplar type propolis collected from different regions of Serbia.

Cilj ove doktorske disertacije je hemijska i funkcionalna karakterizacija propolisa topola tipa koji potiče iz različitih regiona Srbije primenom analitičkih i tehnika za određivanje antimikrobne aktivnosti u kombinaciji sa multivarijantnim hemometrijskim metodama. Fenolni profili srpskog propolisa je određen visokoefikasnom tankoslojnom hromatografijom (High Performance Thin-Layer Chromatography, HPTLC) da bi se uočile sličnosti, odnosno razlike između uzoraka različitog botaničkog i geografskog porekla. Ispitivani su fenolni profili propolisa iz regiona (Hrvatska, Slovenija) i nemačkog kao tipičnog zapadnoevropskog propolisa topola tipa u cilju poređenja sa srpskim. Na osnovu dobijenih rezultata srpski propolis je klasifikovan prema botaničkom poreklu na dva tipa. Analiza glavnih komponenata je primenjena u cilju određivanja fenola karakterističnih za srpski propolis i potvrde prisustva dva tipa propolisa. Primenom visokoefikasne tečne hromatografije u kombinaciji sa linearnim trapom i Orbitrapom MS/MS (Ultra Performance Liquid Chromatography (UPLC)-Lineartrap Orbitrap MS/MS) visoke rezolucije određen je sadržaj flavonoida karakterističnih za propolis topola tipa. Takođe, različite klase fenolnih jedinjenja su identifikovane u srpskom propolisu i određeni fenolni markeri za oba tipa propolisa. Analiza glavnih komponenata je primenjena na rezultate dobijene visokoefikasnom tečnom hromatografijom u kombinaciji sa linearnim trapom i Orbitrapom MS/MS da bi se klasifikovali uzorci srpskog propolisa i odredili fenolni markeri za oba tipa propolisa. Pored toga, analiza glavnih komponenata je primenjena na masene signale (dobijene direktnom analizom u realnom vremenu, DART) u cilju poređenja nemačkog propolisa sa srpskim. Fenolni profil ekstrakata smola pupoljaka topole kao potencijalnog botaničkog izvora je određen u cilju poređenja sa ekstraktima propolisa...The main goal of this PhD thesis was chemical and functional characterization of poplar type of propolis using different analytical and techniques for determination of antimicrobial activity in combination with multivariate chemomometric methods. Phenolic profile of Serbian propolis was determined using HPTLC (High Performance Thin-Layer Chromatography) technique in order to determine similarities and differences bewteen samples according to their geografical and botanical origin. From the obtained results, samples of Serbian propolis can be separated in two types according to their botanical origin. Further, phenolic profile of Slovenian, Croatian and German propolis, as typical representative of Western European type of propolis, were investigated in order to get comparation with Serbian propolis. Principal component analysis was applied in order to determine caractersitic phenol marker compounds in Serbian propolis. Powerful ultra high-performance liquid chromatography coupled with mass spectrometry (UPLC-Orbitrap MS/MS technique) was apllied for determination of phenolic profile of Serbian propolis, and quantification of caracteristic phenol marker compounds in Serbian propolis. Also, different classes of phenolic compounds were identified in Serbian propolis and detremined caracteristic phytochemical markers of both types of propolis. Principal component analysis was applied on quantified phenols in order to verify two types of propolis, and determine phenol marker compounds. Principal component analysis was applied on samples of German propolis and mass signals obtained from direct analysis in real time technique, were used as variables. UV/VIS spectra and cyclic voltammetry also conformed existence of two types of Serbian propolis. Results obtained from cyclic voltammetry show differences between phenol content and antioxidative capacity among these botanically different types of propolis. Multivariate analysis was applied on UV/VIS spectra of propolis, and those results confirmed presence of two types of propolis. Phenolic profille of polpar buds, as one of potential botanical source of propolis, were determined in order to compared them with propolis extracts..

Fatty acids composition of the most common bivalves in Korean diet

Consumption of bivalve molluscs, such as oysters, mussels, clams and scallops, makes a significant part of the daily Korean diet. Bivalves provide high quality proteins with all the dietary-essential amino acids, lipids, vitamins, minerals and other bioactive nutrients, which offer a variety of health benefits to the consumer [1]. This food contains less than 5 percent of total fat, so it is considered a low-fat food. Beside the amount of total fat, the proportions of saturated, monounsaturated and polyunsaturated fatty acids (FA) (S, M and P, respectively), as well as ratio of n-3 (ω-3) and n-6 (ω-6) P in food are very important for the health diet [2]. Fourteen species of bivalves Anadara broughtonii (AB), Ruditapes philippinarum (Manila clam (RP)), Tegillarca granosa (TG), Pecten yessoensis (Yesso scallop (YS), Argopecten spp. (small scallop (SS), Chlamys farreri farreri (CF), Cyclina sinensis (CS), Leukoma jedoensis (LJ), Mytilus califorianus (MCa) Mytilus galloprovancialis (MG), Maretrix lusoria (ML), Mactra quadrangularis (MQ), Sinovacula constricta (SC) and Crassostrea gigas (Pacific oyster (PC)) were bought in two fish markets in Incheon, Korea, in order to determine FA composition using GC/EI-MS of fatty acid methyl esters (FAME). The FAME were identified by comparing their retention times with those of the FAME standards or by comparing their mass spectra with those stored in the NIST Mass Spectral Library. In the bivalve samples, 43 different FA were identified, of which 10 were S, 12 M and 13 P, other FA were 7 methyl-FA and 1 hydroxyl-FA. The P/S ratio and ω-6/ω-3 P ratio are the most significant markers of lipid composition in a healthy diet and both should be close to 1 [3]. Among analysed species, only YS and SS have P/S ratio close to 1 (1,20 and 1.16, respectively), while other species have value between 0.07 and 0.73. The obtained values for ω-6/ω-3 P ratio were from 0.008 to 0.55, which indicates that bivalve molluscs are the valuable source of ω-3 P (EPA and DHA). These ω-3 P play important roles in growth, development, and maintenance of health

Preparation of NiO supported carbon paste electrode for sensitive and selective determination of Gallic acid in plant samples

In this work, nickel oxide (NiO) nanoparticles were synthesized by the chemical coprecipitation method and used for modification of the carbon paste electrode for GA detection and determination. Morphological properties of prepared material were investigated using ICP-OES (inductively coupled plasma–optical emission spectrometry), XRD (X-ray diffraction), SEM and TEM (Scanning and Transmission Electron Microscopy). The electrochemical properties of the prepared electrode and the behavior of GA over the modified electrode were examined using CV (Cyclic Voltammetry), EIS (Electrochemical impedance spectroscopy), and SWV (Square Wave Voltammetry)

Effect-directed classification of biological, biochemical and chemical profiles of 50 German beers

Biological and biochemical fingerprints were investigated for the first time for the feasibility of effect-directed classification, and thus, to allow the choice of a distinct beer with regard to beneficial health effects. A high-performance thin-layer chromatography method was newly developed and combined with in situ effect-directed analysis for profiling 50 German beers for multipotent active compounds, and thus, their health-related potential. Discovered multipotent active zones were online eluted and characterized by high resolution mass spectrometry. For example, isoxanthohumol, iso-α-ad/n-humulone or its isomers, desdimethyl-octahydro-isocohumulone and ad/n-humulone were proven as antimicrobial compounds, isoxanthohumol as an acetylcholinesterase inhibitor, and isoxanthohumol and iso-α-ad/n-humulone or its isomers as radical scavengers. Investigating multivariate data analysis of effect-directed fingerprints for the first time, the pattern recognition and classification results showed the power of clustering non-alcoholic beers from other types of beer, or it showed the differentiation of dark and non-alcoholic beers. © 2018 Elsevier LtdThis is the peer-reviewed version of the following article: Ristivojević, P. M.; Morlock, G. E. Effect-Directed Classification of Biological, Biochemical and Chemical Profiles of 50 German Beers. Food Chemistry 2018, 260, 344–353. [https://doi.org/10.1016/j.foodchem.2018.03.127]Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/2915

Supplementary material for the article: Ristivojević, P.; Morlock, G. E. High-Performance Thin-Layer Chromatography Combined with Pattern Recognition Techniques as Tool to Distinguish Thickening Agents. Food Hydrocolloids 2017, 64, 78–84. https://doi.org/10.1016/j.foodhyd.2016.10.005

Supplementary material for: [https://doi.org/10.1016/j.foodhyd.2016.10.005 ]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2371]Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/3217

Supplementary data for the article: Ristivojević, P. M.; Morlock, G. E. Effect-Directed Classification of Biological, Biochemical and Chemical Profiles of 50 German Beers. Food Chemistry 2018, 260, 344–353. https://doi.org/10.1016/j.foodchem.2018.03.127

Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/331]Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/2914]Supplementary material for: [https://doi.org/10.1016/j.foodchem.2018.03.127

Assessment of antibacterial activity of Sempervivum tectorum L. leaves extracts using HPTLC bioassays and chemometrics

Sempervivum tectorum L. is a perennial plant with succulent leaves arranged in a rosette. Despite its wide use in traditional medicine for the treatment of various changes on the skin, nervousness, anxiety, menstrual ailments, etc., it still does not have a biography in the European Pharmacopoeia¹. The antibacterial effect of juice squeezed from the leaves and tea made from dried leaves was tested against bacteria that cause inflammation of the ear and bladder². Direct bioautography on HPTLC plates for the investigation of antibacterial activity of the houseleek leaves extracts was done for the first time. Four HPTLC bioassays were developed for gram-positive bacteria (B. subtilis, M. lysodeikticus, MRSA, and S. aureus), and two for gramnegative bacteria (E. coli and K. pneumoniae). Antibacterial activity of grampositive bacteria comes from active compounds at RF 0.57 and 0.92. HPTLC bioassays show higher sensitivity for gram-negative bacteria, as numerous active bands were observed at RF 0.03, 0.38, 0.42, 0.56, 0.57, 0.86 and 0.92. By applying chemometrics and principal components analysis, the HPTLC bioassays of grampositive bacteria were separated into two groups on the scores plot graphic along PC1 axis. The bioassays for B. subtilis and M. lysodeikticus form a less uniform group in the upper left quadrant, while the bioassays for MRSA and S. aureus form a homogeneous group in the lower right quadrant. Presence or absence of the active bands at RF 0.57 and 0.92 affect these separations. The bioassays for the two gramnegative bacteria are separated along both axes on the scores plot graphic from each other but also from the other bioassays for the gram-positive bacteria. This separation is influenced by the presence of numerous active bands. For further investigation it is necessary to identify compounds responsible for the antibacterial activity of the houseleek leaves extracts

Four radical scavenging activity-HPTLC assays in combination with chemometrics for the assessment of antioxidant activity of Sempervivum tectorum L. leaf extracts

The houseleek (Sempervivum tectorum L.) has a wide application in traditional medicine for skin changes treatment, ear, throat and bladder infections, stomach ulcers. Recently, several studies confirmed antioxidative, antimicrobial and antiinflammatory effects of houseleek [1,2]. Several spectroscopic techniques have been proposed to measure the free radical scavenging capacity (RSC), regardless of the individual compounds which contribute to the total free RSC. On the other hand, high-performance thin-layer chromatography (HPTLC) hyphenated with biochemical detection allows identification of single compounds responsible for radical scavenging activity (RSA). The main aim of current study is to identify single radical scavengers using four HPTLC-based assays such as 2,2-Diphenyl-1picrylhydrazyl assay (DPPH), 2,2’-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) assay (ABTS), potassium hexacyanoferrate(III) total reducing power assay (TRP) and total antioxidant capacity by phosphomolybdenum assay (TAC) in combination with principal component analysis (PCA). The best of our knowledge, HPTLC-TRP and HPTLC-TAC were developed for the first time. PCA was used for the classification of samples with similar RSA and the identification of radical scavengers responsible for classification. HPTLC-DPPH, HPTLC-ABTS and HPTLC-TRP chromatograms showed similar bioactive profiles. Further, HPTLCTAC fingerprint differs from the others with observed numerous new zones with hRF at 73, 83, 89, and 98 values. Based on PCA, HPTLC-ABTS and HPTLC-TRP assays showed similar grouping of samples. Phenolic compounds such as gallic acid (hRF = 48), kaempferol (hRF = 69) and unknown compound at hRF = 18 are recognized as markers responsible for the separation between samples