5^th Global Chemistry Congress September 04-06, 2017 London, UK

Parvesh Singh received his PhD degree in Organic Chemistry from the Guru Nanak Dev University, India. Currently, he is working as a Senior Lecturer of Organic Chemistry at University of KwaZulu Natal (South Africa). His research interests involve the synthesis, biological evaluation and molecular modeling of heterocyclic scaffolds. He is primarily using hetero Diels-Alder methodology to synthesize heterocyclic rings of different sizes. He has published 60 research articles in peerreviewed journals of international repute including a book chapter and a book.

Thienopyrimidines are known to possess a wide-spectrum of medicinal activities including anti-TB, anti-cancer, antibacterial, anti-fungal, anti-oxidant, and anti-diabetic activities. Similarly 1, 2, 3-triazole nucleus has been exploited in the design of several medicinally and biologically active scaffolds including anti-oxidant compounds. Among different synthetic approaches being used in the drug discovery, molecular hybridization (MH) is gaining popularity owing to its ability to combine two or more bioactive scaffolds with different or novel mechanism of action. In view of the aforementioned significance of thienopyrimidine and 1,2,3-triazoline scaffolds, it was thought worthwhile to couple these two pharmacophores in a single molecular architecture to check the anti-oxidant effect of the resultant molecular hybrid. Accordingly, the desired molecular hybrids (5a-f and 6a-f) were prepared by copper catalyzed cycloaddition of alkynyl thienopyrimidine with various substituted aryl azides in the presence of CuSO4 and sodium ascorbate in THF/H2O (1:1). The synthesized compounds screened for their antioxidant activity using DPPH radical scavenging, NO and ABTS assays revealed several promising molecular conjugates with excellent antioxidant activity, even better than the standard drug (acarbose). The structure activity relationship studies further revealed the role of electron-donating (-CH3, Cl, I) groups in increasing the anti-oxidant activity of the compounds, whereas an opposite effect was observed for the electron-withdrawing substituents.

Aysha Mezoughi has an experience in organic synthesis, protein synthesis and purification and enzyme kinetics. She is working in chemical biolog, her project is based on antibiotic resistance. Her experience is based on her education, teaching and research in the university. Her qualifications are: MSc in organic chemistry, school of chemistr, Tripoli university (2005), lecturer in organic chemistry, school of chemistry, Tripoli university (2005-2013), PhD student at Cardiff university(2014- present), she has published five papers, three in organic chemistry journals and two in biochemistry journals

Lytic transglycosylases are bacterial enzymes that are responsible for creating space within the cell wall to insert new material during cell growth and division as well as making pores to allow transport of DNA and proteins across the cell wall. Due to these important roles, lytic transglycosylases may present an attractive new target for the development of broad-spectrum antibiotics. Different inhibitors have been synthesized using mimics for the intermediate species in the reaction catalysed by lytic transglycosylases. Herein we aimed to synthesis and evaluate a series of amidine derivatives as inhibitors of soluble lytic transglycosylases.

Soon Kwan Jeong received BS degree in Chemical Engineering and PhD degree in Chemical Engineering both from Korea University, South Korea, in 1993 and 2000, respectively. From 1992 to 1994, he was a Researcher at Honkook Tire Co., Seoul. From 2005 to 2006, he was a Postdoctoral Fellow with Pratim Biswas at Washington University. He is currently a Principal Researcher at Korea Institute of Energy Research, South Korea. His research interests include “Biomimetics, material science and engineering for CO2 capture and conversion”.

Anthropogenic carbon dioxide (CO2) is a major greenhouse gas that acts as a blanket to absorb thermal radiation emitted by the earth’s surface. Many studies have introduced new technologies for CO2 capture; however, the quest for feasible capture technologies continues. Amino acid salt solutions have distinguished features such as fast reaction kinetics, high cyclic loading capacity, and good stability towards oxygen, low vapor pressure and biodegradable property. In this study, the CO2 absorption capacity, absorption rate and heat of absorption of the aqueous potassium salts of amino acids were investigated using semibatch absorption system, wetted wall column and a differential reaction calorimeter (DRC). The results were compared to amine solvents. The CO2 loading capacity of amino-acids salts solutions showed higher than that of amine solutions. The CO2 loading capacities were found to be 0.50 and 0.68 mol of CO2/mol of solvent for aqueous MEA and potassium salt of L-alanine at 298 K, respectively. The heat of regeneration depends on the heat of absorption as well as sensible heat and latent heat. Therefore, the heat of absorption can be used as useful data for the continuous process. MEA and DEA showed 81.77 kJ/mol of CO2 and 67.06 kJ/mol of CO2, respectively. Among the amino-acids slats solutions, potassium salt of L-alanine showed the lowest heat of absorption of 53.26 kJ/mol CO2. Amino-acids salts solutions had the higher CO2 loading capacity and lower heat of absorption than those of MEA. Therefore, amino-acids salts solutions are deemed to be the potential CO2 absorbent to replace the existing system.

Manojkumar K Rathod completed his MSc, MPhil in Bioinformatics; BSc, MSc in Chemistry and; PhD in Chemistry at Sardar Vallabhbhai National Institute of Technology, Surat, India. At present, he works as an Assistant Professor in Department of Chemistry at Marwadi University, Gujarat, India. He has two years of experience as an Assistant Professor and Head of Department of Chemistry at S S Agrawal College of Commerce & Management, Gujarat, India. He received scientific awards by RSC (2014) and BTISNET, DBT (2012). He has published four research paper and presented research article in nine national & international conference.

A simple green synthetic approach was developed to synthesize medicinally important heterocyclic novel pyrimido[4,5-d] pyrimidine(PP) derivatives by using heterogeneous solid acid catalyst, through single reaction chamber. This green process offer high yields within short reaction time. In silico proficiency of Lipinski’s, DFT, docking and SAR study have been carried out in order to get target drug like novel PP molecules with desired activity through multidisciplinary green approach. Computer aided drug designing (CADD), molsoft and Osiris tool were used to predict PP structural parameters of Lipinski rule which meant to find molecular membrane permeability, oral bioavailability, drug-likeness and drug score. In addition, DFT method was employed to calculate the PP structural geometries, molecular stability and electronics structures using online tool. Moreover, the docking method was used to determine voltage-dependent calcium channel blockers receptor-PP ligand interactions and molecular surface bonding were performed by online tool. The synthesized products were characterized by FT-IR, 1H NMR and 13C NMR spectral analysis. The synthesized analogs have also been evaluated for their bioassay against bacterial and fungal strains. SAR study relates features of PP structure to a property, effect and biological activity associated within moiety. In this summery, theoretical and experimental approaches brought together in order to synthesize target PP molecules with desired activity will serve as vital aid for future researchers working in the area of drug design.

Neil Torres Figueredo completed his Engineering in Nuclear and Energetic Technologies at Higher Institute of Technology and Applied Sciences in Havana, Cuba in July 2008 and his Master of Advance Technology at Research Center for Applied Science and Advanced Technology (CICATA-Legaria) of IPN, Mexico in December 2014. At present, he is a Researcher at Center of Applied Technology and Nuclear Development in Havana, Cuba and a PhD student at Research Center for Applied Science and Advanced Technology of IPN, Legaria Unit, Mexico. He has published two research articles and participated in about 10 international scientific meetings held in Cuba, Mexico, Brazil, Argentina and EEUU and has done research on the synthesis, characterization and evaluation of the porous materials promising for storage and gases capture.

The search for materials with structural characteristics that allow for proper adsorption of either greenhouse gases (CO2, CH4) or energy carrier gases (H2) is nowadays one of the main research lines in the scientific community. This contribution reports a comparative study of the hydrogen storage in two metal organic frameworks (MOFs), Fe-BTC and Cu-BTC. Both materials were obtained by solvothermal technique and then characterized from XRD, FTIR, UV-vis, XPS, Mössbauer and magnetic measurements. A detailed analysis on the possible guest-host interactions for the hydrogen molecules in the porous framework of these materials is discussed. These frameworks present promising potential as storage materials due to large surface area (more than 103 m2/g), accessible pore volume between 45 and 55% of the total volume and high chemical and thermal stability. Adsorption isotherms were recorded in order to determine the H2 maximum adsorption capacities (Qmax) and to evaluate the adsorption heats (Hads) by the isosteric method. Results yielded good Qmax values (150-200 cm3/g) and intermediate Hads (7-9 kJ/mol), which make Fe-BTC and Cu-BTC promising candidates for H2 storage. With the obtained data, the nature of the adsorbate-adsorbent interactions is discussed.

Greter Ortega completed her Bachelor of Science in Chemistry and Master of Science in Chemistry at University of Havana, Cuba in 2012 and 2015, respectively. At present, she is a graduate teaching Assistant in Department of Inorganic Chemistry, Faculty of Chemistry, University of Havana and a PhD student at Center for Applied Science and Advanced Technology of IPN, Legaria Unit, Mexico. She has published two research articles and participated in 10 international scientific meetings held in Cuba, Mexico and Spain and has done research on the synthesis, functionalization and the use of the novel properties of metal, magnetic and semiconductor nanoparticles to design nanostructured biosensors.

In recent years, magnetic beads and nanoparticles (mainly magnetite) are reported, patented and commercialized as new platforms to improve ELISA (enzyme linked immunosorbent assay) performances. However, most of these technologies can be costly and impractical for the diagnosis of certain endemic and epidemic diseases in underdeveloped countries, where a considerable amount of patient samples must be studied. On the other hand, the most important application of paper (cellulose material) support of sensors by the scientific community has been the development of new paper-based analytical devices such as paper based ELISA assays. However, their sensitivity is currently more than ten times lower than that of traditional ELISA. This contribution reports a novel magnetic paper–based ELISA using core–shell magnetite@polydopamine nanoparticles supported on a Whatman paper-like new solid immunoassay platform specifically for IgM-dengue antibodies recognition as the proof-of-concept target for antibodies isotype IgM detection. Affordable procedures to deposit magnetite nanoparticles on cellulose paper sheets (Whatman type-1 and ss903) and to conjugate such nanoparticles with antihuman-IgM antibodies using polydopamine as linker are reported. Structural features, magnetic behavior, coating homogeneity, and the nanoparticles/ linked antibodies ratio were determined. Additionally, magnetic paper – based ELISA for IgM-dengue antibodies detection provides a system with improved analytical response (two orders more sensitive with a 700 times lower limit of detection (LOD) than traditional ELISA or using magnetic beads without depositing), appropriate accuracy for real sample detection, low cost, easy manufacturing, and effortless and easy handling. Finally, a novel transducer based on quantum dots contained in polymeric capsules is proposed to be coupled in the magnetic paper–based ELISA for enhancing analytical response.

Susel Del Sol Fernandez has expertise in the synthesis and characterization of nanomaterials and Medical Physics. She has completed her Master's degree at Center for Research in Applied Science and Advanced Technology (CICATA), Legaria Unit, National Polytechnic Institute, Mexico City, Mexico. Currently, she is a PhD student at CICATA, Legaria Unit. She worked on the synthesis and characterization of iron oxide nanoparticles (magnetite and mixed ferrites) for delivering anticancer drugs or contrast agents for cancer therapy and diagnosis.

The integrin αvβ3 plays an important role in angiogenesis. It is expressed on tumoral endothelial cells as well as on some tumor cells. RGD peptides are well-known to bind preferentially to the αvβ3 integrin. In this context, targeting tumor cells or tumor vasculature by RGD-based strategies is a promising approach for delivering anticancer drugs or contrast agents for cancer therapy and diagnosis. A key challenge in developing theranostic nano platform is to achieve an optimal pharmacokinetic profile to allow sufficient targeting and to avoid rapid clearance by the reticuloendothelial system (RES). Recently, multifunctional nanostructured materials have been applied to multimodal imaging and simultaneous diagnosis and therapy. In this context, the integration of mesoporous silica with superparamagnetic monodisperse nanocrystals to form uniform core–shell composite particles has great potential for simultaneous bio imaging and drug delivery. In the present study, mixed ferrite (MnFe2O4) were coated with a mesoporous silica and polyethylene glycol (PEG), making them water soluble and function-extendable for future bio-conjugation with RGD peptide. MnFe2O4@mSiO2-PEG particles were characterized by DRX, TEM, DLS and VMS. Results showed that a spherical, highly-ordered MnFe2O4 nanoparticles with a diameter of around 10 nm, and a narrow size distribution. Dynamic light scattering (DLS) analysis revealed that such MnFe2O4@mSiO2- PEG has a hydrodynamic size of ˜20 nm in aqueous solution. The field dependent magnetism of at 300 K shows no hysteresis, demonstrating a superparamagnetic behavior, which is a desirable characteristic for T2 MR contrast agents. The integrated capability of the core–shell NPs to be used as MR and fluorescence imaging agents, along with their potential use as a drug delivery vehicle, make them a novel candidate for future cancer diagnosis and therapy.

Herlys Viltres Cobas has expertise in the synthesis and characterization of nanomaterials. She has completed her Master's degree at Center for Research in Applied Science and Advanced Technology (CICATA), Legaria Unit, National Polytechnic Institute, Mexico City, Mexico. Currently, she is a PhD student at CICATA, Legaria Unit. She worked on the synthesis and characterization of iron oxide nanoparticles (magnetite, hematite and goethite) to remove arsenic from the aqueous medium.

Arsenic is one of the most widespread inorganic pollutants worldwide and represents a significant potential risk to human health and the biosphere. It is well known that arsenic is highly toxic and carcinogenic; at present, there are reports of diverse countries with arsenic concentrations in drinking water higher than those proposed by the World Health Organization (10 μg/L). Nanomaterials and nanotechnologies inspire new possible solutions to major environmental issues nowadays. It has been reported that adsorption strategies using iron oxyhydroxide as goethite are very efficient for the removal of arsenic in drinking waters; the adsorption mechanism is not yet clear. In order to shed light on this subject, we attempt to study the interactions between arsenic species and α-FeOOH nanorods in aqueous medium. Goethite nanorods were prepared using a precipitation method with FeCl3 as metal source and KOH aqueous solution as precipitating agent. As-synthesized nanorods were put in contact with As2O3 solutions at room temperature at pH 4 and 7. Goethite particles were characterized by DRX, TEM, FT-IR and XPS. Results showed that goethite nanoparticles had 30 nm wide and 410 mm long, and a narrow size distribution. The presence of arsenic on particles surface was confirmed, which is more remarkable when pH=7 condition is employed. On the other hand, when As (III) species interact with the nanoparticle surface, oxidation to As (V) occurs, which produces the surface reduction. Besides, after adsorption experiment, it was evidenced from FTIR and XPS that once arsenic species interact with the nanoparticles, they form doubly protonated monodentate and simply protonated monodentate complex of As(III) at pH=4 and 7, respectively, and bidentate complex of As(V) after As(III) oxidation, in both conditions. The developed methodology could be implemented in the water treatment industries, reducing the costs of the processes and making them more environmental friendly.

Neha Manhas completed her Master’s degree in Chemistry from Durban University of Technology (South Africa), and currently pursuing her Doctorate in the School of Chemistry and Physics at University of Kwazulu-Natal (UKZN), Durban, South Africa. Her PhD research focuses on “The synthesis, biological evaluation and molecular modeling of novel quinazoline based heterocycles”. She has co-authored three research publications in the peer-reviewed journals.

Quinazoline nucleus is not only present in various therapeutic agents but also form an important structural component of natural products. The prazosin (anti-hypertensive), methaqualone (hypnotic), metolazone (diuretic), raltitrexed (anticancer) and (+)-febrifugine (anti-malarial) are few commonly used drugs that contains quinazoline ring as a core. Over the past few decades, the synthesis of quinazoline derivatives has attracted considerable attention of the synthetic chemists worldwide owing to its diverse medicinal activities including anticancer, anti-HIV, antibacterial, anti-inflammatory, anti-malarial, and anti-tubercular activities. The most established preparative methodologies for quinazoline synthesis involve its use. On the other hand, Schiff bases (>C=N), also known as imines or azomethines, are another widely explored intermediates in heterocyclic synthesis with various biological/medicinal applications such as anticancer, anti-tubercular and anti-inflammatory activities. Consequently, several research papers and review articles regarding the design and synthesis of new and promising quinazolines or Schiff bases or both as their hybrids have been documented in international peer-reviewed literature. In view of the above facts, we prepared a new series of quinazoline-tethered Schiff bases by condensation of 3-aminoquinazolinone with a variety of aldehydes. Predominantly, fluorinated Schiff bases were targeted owing to the property of fluorine atom to increase in metabolic stability and bioavailability of organic scaffolds. Additionally, the molecular hybrids of quinazoline with other pharmacophores such as quinolines, thiophene and indole were also prepared owing to their existence in biologically significant heterocycles and drug molecules.The full structure elucidation of all synthesized compounds was subsequently performed using 2D NMR (HMBC, HSQC, COSY, and NOESY) techniques followed by the extensive analysis of the chemicals shifts and splitting patterns of all compounds. The 19F being NMR active splitted both the proton and carbon nuclei of the compounds, and played a significant role in characterization process.

Anna K Przybył completed her Graduation in Chemistry at Adam Mickiewicz University in Poznań, Poland. In 2000, she received her PhD degree from the same institution under the supervision of Prof. Waleria Wysocka. She was a Post-doctoral fellow at National Institutes of Health, NIDDK, Laboratory of Medicinal Chemistry, Bethesda, MD, USA (2001–2003), under the supervision of Dr. Kenner C Rice. In 2015, she obtained her Habilitation degree. She is currently an Associate Professor at Adam Mickiewicz University, Poznań. Her scientific interests include natural products, especially alkaloids, modern organic synthesis and medicinal chemistry. Her research focuses on modification of quinolizidine alkaloids, in particular transformations into conjugated systems, enantiomer separation and structure analysis

Statement of the Problem: (-)-Cytisine (1, Scheme 1) is an alkaloid, naturally occurring in plants of the Leguminosae family. It interacts with nAChRs and has been applied in investigation of the central nervous system. Moreover, cytisine derivatives have been tested for their use in the treatment of Alzheimer’s and Parkinson’s diseases. This alkaloid has been found to moderately increase the concentration of dopamine alleviating the symptoms of nicotine deprivation. Therefore, cytisine and its derivative (varenicline) have been employed in nicotine withdrawal therapy. Some N-derivatives of (-)-cytisine show analgesic, antidepressant, anti-inflammatory, hypoglycemic and hypertension reducing properties. Methodology & Theoretical Orientation: (-)-Cytisine was isolated from the seeds of Laburnum anagyroides. The modifications were made with alkane dibromide or BTC/amines/diamines. The products were separated by flash chromatography. Structural data were collected using Rigaku diffractometers: Supernova with Atlas detector and Excalibur E. The NMR spectra were measured on NMR Bruker Advance II 600 MHz. Findings: Biological activity of (-)-cytisine is related to the presence of pyridone ring A and piperidine ring C. Such structure also permits obtaining a number of derivatives with biological activity even greater than that of cytisine itself. It has been found that modifications of the molecular structure change the pharmacological properties including the affinity to certain nAChR subtypes. We decided to use the high-resolution X-ray diffraction method which allows for experimental determination of the details of the electron density distribution in molecular crystals and brings the details of e.g. electrostatic potential and dipole moments that are the features underlying the biological action. Conclusion & Significance: (-)-Cytisine is an excellent substrate in syntheses of the adducts in which other molecules can be bonded to cytisine through N-12 of piperidine ring C (Scheme 1). The hybrid compounds of this type often show much better therapeutic properties than the parent ones. Additionally basing on the relation of the electronic/energetic features with the biological activity, it should be in future possible to design more potent compounds and even to build the pharmacophore model.

Entesar Al-Hetlani is Lecturer at Kuwait University and currently pursuing her PhD in Chemistry at University of Hull, UK. Her research interest includes “Forensic analytical chemistry, organic and inorganic monolith columns, chemiluminescence and electro chemiluminescence, and synthesis of magnetic nanoparticles.

TiO2 photocatalysis is commonly utilized in diverse applications such as environmental waste management, biomedical and energy fields. The present study demonstrates the effect of temperature on the characteristics of TiO2 nanoparticles using XRD, XPS, DLS, UV-Vis, N2 sorpometry and TEM techniques. The optimum surface area of the photocatalyst was obtained when it was prepared at 60ºC. Additionally, the TEM images showed semi-spherical morphology. Afterwards, rapid photo-degradation of rhodamine 6G dye (R6G) with efficiency of 92.5% at pH=9.17 was accomplished using the optimized nanoparticles. The main focus of this study is to establish a new avenue that can be used to separate the photocatalyst from the reaction medium after the photo-degradation experiment is completed. In this study, the photocatalyst was completely detached from the reaction medium in 3 minutes without utilization of coagulant agents or magnetic nanoparticles. This was lucratively accomplished by adjusting the pH of the medium to match the isoelectric point (pHPZC) of the photocatalyst and annulling its surface charge, hence rapid sedimentation was observed, Figure 1. This new method has proven to be simple, rapid, and applicable to all types of photocatalysts on the industrial scale.

Rima D Alharthy is an Organic Synthetic Chemist. During her Post-doctoral research, she was working on the synthesis of attractive bioactive compounds and consequently evaluating their activity. This includes the synthesis of hetrocycles such as Pyrido[2,3-b]pyrazines, polyphenols, pyrazolo pyrimidine scaffolds and hybrid acridine-HSP90 ligand conjugates

The CuI catalysed (3+2) azide–alkyne cycloaddition (CuAAC) has been used to construct modified inter nucleotide linkages, to prepare nucleic acid conjugates, and as a strand ligation tool. In particular, the artificial triazole-linked DNA TLDNA 1 retains good aqueous solubility, is stable towards enzymatic degradation, and can be read by polymerases. As part of our own research aimed at developing therapeutic nucleic acids, we decided to examine triazole-linked morpholino (TLMO) hybrid structures 2 (Fig. 1) as they could combine the ease of synthesis of the TLDNAs 1 with the increased melting temperatures associated with morpholino drug candidates. Thus, triazole-linked morpholino (TLMO) oligonucleic acids were synthesized using the CuAAC reaction. The TLMO hybrid 2 can be disconnected to reveal the azide 4 and the alkyne-substituted morpholine 3 as potential precursors for the proposed CuAAC reaction (Fig. 1). Synthesis strategy involved oxidative cleavage of ribose, reductive amination treatment with sodium cyanoborohydride/AcOH to build the propargylamine partner. The azido thymidine building block was accessed via a two-step sequence involving mesylate formation and displacement with sodium azide. Next, CuAAC was successfully applicable to obtain TLMO. A range of catalysts and solvents were initially screened, and it was quickly found that the use of copper(I) iodide in THF:tBuOH:H2O (3:2:1) with microwave heating (80°C) was optimal. Under these conditions, cycloaddition of the acetylene with the TBS-protected azide gave the TLMO dimer in good yield, and TBAF de-protection gave the desired alcohol in good yield. The modified DNA analogues were incorporated into 13-mer sequences via solid phase synthesis. UV melting experiments showed that the TLMO modification gives higher Tm values than the corresponding TLDNA modification. Thus, addition of the morpholine modification can regain half of the Tm lost by incorporating the triazole inter nucleotide linkage.

Hye Soon Kang is an Assistant Director at Gyeongin Regional Food and Drug Safety of Ministry of Food and Drug Safety in Korea.

Ministry of food and drug safety makes an effort in monitoring the contaminated pesticides in commercial agricultural products. The monitoring of pesticides in food is nowadays a major objective in order to get extensive evaluation of food quality and to avoid possible risks to human health. Gas chromatography-mass spectrometry (GC-MS/MS) is rapidly becoming an accepted technique in pesticides for regulatory monitoring purpose. An analytical method for the simultaneous target analysis of 344 pesticides in agricultural products by GC-MS/MS has been developed. We developed an accurate, simple, rapid and simultaneous analytical method of 344 pesticides in agricultural products. The monitoring analysis was aimed to establish for determination of an analytical method for 344 pesticides by GC-MS/MS. Recovery, precision, accuracy, linearity, and limit of quantitation (LOQ) in the analytical method were validated in different matrices. The recoveries obtained at fortified levels of 0.01~0.5 mg/kg were 60~130% for pesticides, with relative standard deviations (RSDs) of ≤30%. The proposed method has possibility to be applied successfully in Korean Food Standards Codex for the residue determination of 344 pesticides in agricultural products. The proposed method was applied successfully for the residue determination of 344 pesticides in agricultural commodities.

Sanjeev Dhawan is a PhD candidate at University of KwaZulu-Natal, School of Physics and Chemistry, Westville, Durban, South Africa. He was awarded the NRFTWAS fellowship in 2016, to complete his PhD research in Medicinal Chemistry. He completed his B Pharmacy at Punjab Technical University, India. He completed his M Pharmacy in Medicinal Chemistry from Lovely Professional University, Punjab in 2013. He has worked as Research Associate in Jubilant Chemsys, Noida, India.

Coumarins are an important class of heterocyclic compounds with natural and synthetic origins. It has a unique benzo- α-pyrone which has demonstrated proliferative biological activity. Similarly, the 1,3,4-oxadiazole heterocycles exhibit remarkable pharmacological and biological properties, e.g., antibacterial, anti-viral, anti-cancer, anti-coagulation and antiinflammatory activities. The 1,3,4-oxadiazole ring is highly lipophilic thus improving drug permeability across cell membranes, ensuring the drug reaches the biological target. Both classes of compounds form valuable leads in drug discovery i.e. coumarin fused 1,3,4-oxadiazole and their derivatives. Molecular hybridization techniques have been used in drug design and discovery. The method involves the combination of two or more bioactive pharmacophores to generate a single molecular scaffold with improved affinity and bioactivity, in comparison to the parent molecules. Accordingly, a series of novel 7-((5-mercapto-1,3,4- oxadiazol-2-yl)methoxy)-4,5-dimethyl-2H-chromen-2-one derivatives was synthesized. Using commercially available orcinol as the starting material, the key intermediate 7-((5-mercapto-1,3,4-oxadiazol-2-yl)methoxy)-4,5-dimethyl-2H-chromen-2- one was synthesized in four steps: condensation; esterification; hydrazidation and; cyclization; followed by alkylation and benzylation.

Se-Jong Park is a Scientific Officer in Food Safety Evaluation department at Ministry of Food and Drug Safety (MFDS), South Korea. Her research focuses on food packaging safety. She has led projects involving development analytical methods, risk assessment and migration of hazardous substances from food packaging materials.

Polyethylene (PE) is used in greater volume worldwide than any other plastic as food packaging. This might be due to PE is cheap, durable, flexible and easy to use. The polyethylene is manufactured by polymerizing ethylene with α-olefin monomers such as 1-butene, 1-hexene and 1-octene. Food contact materials may contain trace amounts of residual monomers during the formulation or manufacturing process. However, ethylene and 1-butene are very volatile and easily lost from processed PE polymer. 1-hexene and 1-octene could be migrated into the food when PE food packaging is used for cooking and storing. Therefore, it is necessary to determine migration levels of 1-hexene and 1-octene from food contact materials for food safety. The aim of this study was to determine 1-hexene and 1-octene from PE food contact materials by head space-gas chromatography-mass spectrometry (HS-GC-MS). Migration tests with three food simulants, deionized water, 4% acetic acid and 50% ethanol were examined at 70oC and 100oC for 30 min under the Korea regulation. Analysis of migration amounts of 1-hexene and 1-octene from samples was performed by HS-GC-MS (selected ion monitoring mode, HP-1 column). The method was validated by measuring the limit of detections (LODs), the limit of quantifications (LOQs), recovery, precision and uncertainty. Based on the optimized method, we monitored the migration of 1-hexene and 1-octene from PE food packaging materials such as food packaging films, wraps, bags and containers, All the samples were collected from manufactures and retailed stores. The result of this study can be used as valuable data for the safety control of the PE food contact materials in Korea.

Eman Alghamdi completed her Master degree in Natural Products Chemistry in 2008 and became an Administrator in Department of Chemistry at King Abdul Aziz University up to 2012. After that, she has become a full-time PhD student at University of Leicester. Currently, she is pursuing her third-year research in the lab of biotechnology group under supervision of Dr. Piletska and Prof. Piletsky. She is interested in Optimization of the protocols for purification, separation and quantification of natural and synthetic compounds from different natural sources.Eman Alghamdi completed her Master degree in Natural Products Chemistry in 2008 and became an Administrator in Department of Chemistry at King Abdul Aziz University up to 2012. After that, she has become a full-time PhD student at University of Leicester. Currently, she is pursuing her third-year research in the lab of biotechnology group under supervision of Dr. Piletska and Prof. Piletsky. She is interested in Optimization of the protocols for purification, separation and quantification of natural and synthetic compounds from different natural sources.

α-tocopherol is a valuable compound in terms of its therapeutic and industrial applications. There is an increasing focus on the natural sources of this compound, such as wheat germ, sunflower oil, vegetable oil and vegetables, because its bioactivity is observed only if it is extracted from natural resources that have not been synthesized. Since α-tocopherol is one of the minor components in the edible oil, it is essential to pay attention to the selectivity, efficiency and precision of the extraction method. The aim of this research is to develop rationally-designed polymers (RDPs) for the extraction and purification of α-tocopherol from sunflower oil as a natural source. RDPs were prepared based on the molecular imprinting principles, and then used as an adsorbent in the solid phase extraction (SPE) in order to extract and purify α-tocopherol. RDPs were synthesized using meth-acrylic acid (MAA) as a functional monomer and ethylene glycol dimethacrylate (EGDMA) as a crosslinking agent using a thermo-polymerization procedure. RDP demonstrated the recoveries of tocopherol from model solution of 94%. UV spectroscopy was used for the optimization of the solid phase extraction of α-tocopherol from the model samples. 60% ethanol was found that the best washing solution and better eluting solution was 5% acetic acid with methanol. GC separation was applied to detect and quantify the α-tocopherol in the natural sample (sunflower oil).

Jun Zhang has his expertise in designing and synthesizing small fluorescent ligands for the identification of protein aggregates, the common pathological hallmark of many neurodegenerative diseases such as Alzheimer’s and Parkinson’s disease (AD and PD). These novel ligands will expand the tool box of fluorescent ligands for in vitro monitoring of amyloid fibril formation and in vivo monitoring of progression and deposition of various disease-associate proteins.

Statement of the Problem: Alzheimer’s disease (AD) is the most common neurodegenerative disorder of the brain and a leading cause of dementia. Aβ plaques consisting of Aβ peptides and Neurofibrillary Tangles (NFTs) consisting of hyperphosphorylated Tau has been recognized as the main two pathological hallmarks of AD. Investigation of Congo red led to the discovery of bisstyrylbenzenes as a class of compounds with strong Aβ plaque binding properties. Methodology & Theoretical Orientation: Starting from the amyloid ligand X-34, Aβ-fibril and Tau fibril binding affinities and specificities for the four fluorescent derivatives of X-34 were determined by means of fluorescence titrations with Aβ1-42 and Tau fibrils, respectively and a fluorescence assay using human AD brain sections. Findings: The five ligands can bind to Aβ1-42 and Tau fibrils with augmented intensities, respectively, but with very weak fluorescence changes in the presence of Aβ1-42 oligomer and monomer. Benzene and naphthalene derivatives upon binding to Aβ1-42 fibrils showed significantly increased quantum yields (QY). The thiophene derivative in buffer displayed high QY compared with the other probes, while quinoxaline and benzo[c][1,2,5]thiadiazole derivatives showed very low QY in the absence/presence of Aβ1-42 fibrils. The two pathological hallmarks, Aβ plaques and NFTs, could be readily identified due to bright fluorescence especially quinoxaline derivative, specifically stain Aβ plaques. Conclusion & Significance: The central benzene motif of X-34 can be replaced with other heterocyclic moieties without reducing the ligands’ selectivity. However, the quinoxaline derivative can selectively detect Aβ plaques and not NFTs. We foresee that these ligands will be useful candidate markers for monitoring the formation and progression of a variety of diseaseassociated protein aggregates.

Aleksandr Kozhushkevich is a Senior Scientist at All-Russian State Center for Quality and Standardization of Veterinary Drugs and Feed (VGNKI), Department of POPs Control in Feedstock and Feeds. He has many years of experience in the analysis of persistent organic pollutants in food and feed.

Introduction: Polybrominated diphenyl ethers (PBDEs) are massively used as flame retardants. They are chemically and biologically persistent, lipophilic, and able to bio-accumulate in fatty tissues and biomagnify throughout food chains. Similarly to dioxins, PBDEs may be transferred from animal feed to lipid-containing food such as milk and eggs. Therefore, there is a need for developing efficient methods of PBDE determination in animal feed matrices. With animal feed matrices, an automated Power Prep system (FMS Inc., USA) has previously been used for PBDE clean-up following manual column extraction and shaking with concentrated sulfuric acid. Our goal was to optimize PBDE extraction and clean-up from a typical feed matrix (fish meal) using a more advanced Total-Rapid-Prep system (FMS, USA) which includes a pressurized liquid extraction module (PLE), multi-column sample cleanup module (Power-Prep) and evaporation/solvent exchange module (SuperVap). Materials & Method: About 10 g of feed were mixed with diatomaceous earth, and then spiked with 100 μl mixtures of masslabeled PBDE congeners and 100 μl mass-labeled PBDE internal standard solutions to monitor recoveries. Extraction was performed on PLE with n-hexane at 1200C and 15 MPa (two static cycles of 20 min each, the purge time 120 s). The extracts were evaporated on SuperVap to 10 ml and subjected to automated cleanup on silica and alumina columns. Elution parameters were optimized (Fig. 1). Elution by 40 ml 20% DCM/Hex followed by 120 ml 50% DCM/Hex gave the best recovery values for all congeners including di-brominated BDE-15 (Fig. 2). The purified extracts were concentrated on SuperVap and analysed on a TSQ 8000 Evo GC-MS/MS (Thermo, USA). Results & Discussion: Compared to the semi-automated method, we obtained better recoveries for di- to tetra-brominated congeners (Fig. 2) in a fully automated setup which saves time and solvents.