Location: Fermentation Pilot Plant Laboratory (Building F)
Department of Applied Biotechnology and Food Science
Email: naron@f-labor.mkt.bme.hu
More topics & info: http://f-labor.mkt.bme.hu

Whey is the major byproduct of dairy industry, which has great biotechnological potential, but is still mainly transported to wastewater treatments. Many bacteria produces different art of molecules (like glycopeptides etc.) having biodetergent activity, so we focuse of investigation of such whey based biodetergent fermentation. In preliminary experiment we only followed the detergent effects with caplillary and stalagometer methods. Therfore only inorganic culture media can be used, becauce organic media ’s surface tension disturbe the above methods. In the next semester we should improve both analytical methods and culture conditions.

Location: Fermentation Pilot Plant Laboratory (Building F)
Department of Applied Biotechnology and Food Science
Email: naron@f-labor.mkt.bme.hu
More topics & info: http://f-labor.mkt.bme.hu

Succinic acid is a platform chemical, of which metabolism has the advantage of carbon-dioxid fixation. Most of the succinic acid producers are gram negative strict anaerobic bacteria. Bio-succinic acid is produced at industrial scale via genetically modified yeasts, but many bacteria like Mannheimia or Actinobacillus strains can compete in productivity. The carbon-fixation together with byproduct (like vinasse) utilization can provide great potential for developing fermentative succinic acid production. Initially in small scale parallel experiments should some optimization carried out, then scale up to bench top fermenters, later to larger ones.

Location: Computation driven chemistry group (Building Ch/1)
Department of Inorganic and Analytical Chemistry
Email: nyulaszi@mail.bme.hu

Polycyclic Aromatic Hydrocarbons (PAH) have beneficial properties for optoelectronic and other high tech. applications. Their delocalized π-electrons exhibit an aromaticity pattern, and the corresponding stabilization, which was tentatively described by Clar’s theory, furthermore, it was shown that the optical properties are also related to the Clar-aromaticity stabilization: the most stable structures exhibiting no visible absorption. Since heteroatom modification of the aromaticity is a well known phenomenon, we expect that by incorporating heteroatoms into certain PAH rings the local aromaticities and also the optical properties can be effectively tuned. We have shown recently on one example and phosphorus substitution that the idea is working. During the PhD project a systematic theoretical investigation should be carried out on the heteroatom substitution in different PAH systems, in relation with their local aromaticities. We expect that after a systematic study we’ll be able to give reliable predictions on the optical properties. It is possible that within an international cooperation the PhD student can be involved in the synthetic work, yielding in the production of the compounds.

Location: Ch. I. 123. (lab), Ch. I. 114. (office)
Department of Physical Chemistry and Materials Science
Email: imre.szilagyi@mail.bme.hu

Detection and decomposition of pollutants, preparation of novel and cheaper green catalysts, making novel materials for energy saving applications are environmental research priorities, and the project aims to obtain materials capable to perform these tasks. The research focuses on the synthesis of complex nanostructures based on semiconductor oxide (e.g. WO3, TiO2, ZnO, Al2O3 nanoparticles, nanotubes, nanofibers), and carbon nanostructures (e.g. carbon nanotubes, graphene oxide, carbon nanospheres). For this various techniques might be used, e.g. atomic layer deposition (ALD), annealing, hydrothermal, sol-gel and electrospinning synthesis methods. The as-obtained nanocomposites will be studied as gas sensors, photocatalysts and in heat exchanger nanofluids. The influence of the composition, morphology and structure of the nanostructures on the applications will be analyzed with the aim to program the properties to achieve the planned performance.

Students currently working on this project:

• Yao Kexin
• Chen Shuying
• Alkurdi Ahmed Qani Mohammed Saleh
• Chra Rasool
• Khasawneh Ban Nidal Hayel

Location: Inorganic Chemistry group, CH building
Department of Physical Chemistry and Materials Science
Email: zbenko@mail.bme.hu

Low-coordinated phosphorus compounds (phosphalkenes, phosphaalkynes, aromatic phosphorus heterocycles) have been the subject of fundamental research for long, but now also found applications as ligands in catalysis or materials in molecular engineering. The phosphaethynolate ion is one of the simplest phosphorus anions (OCP-) and is the heavier analogue of the well-known cyanate ion. The OCP- ion has gained the attention of both experimental and theoretical chemists in the last two years. The reason for this is the versatility of the reactions involving the phosphaethynolate ion as an anionic precursor. The main goal of the presented project is to gain a conceptual understanding of these reactions since based on the results the outcome of a reaction could be predicted in advance of expensive experimental procedures. Extending this subproject a new type of low-coordinated phosphorus compounds with foreseen synthetic applications can be achieved. Furthermore, the computations would deliver insights into the optical properties of a cyclic anionic system being accessible from the OCP- anion. The properties of these systems can easily be fine-tuned by substituent effects or coordination to transition metals. These materials may find applications in optical devices (e.g. solar cells, sensors, etc.).

Location: Inorganic Chemistry group, CH building
Department of Inorganic and Analytical Chemsitry
Email: denes.szieberth@mail.bme.hu

The Molnár János cave is located under the Rózsadomb. Its passages are filled with lukewarm, clear water, offering access to the waters of the Buda Thermal Karst System. The location of the cave under Budapest provides a unique opportunity for regular investigation of the cave without the need for costly and time consuming expeditions. The densely populated urban area above the cave however makes the cave vulnerable to anthropogenic contamination. The aim of this project is to assess the vulnerability of the cave, identify possible pollution routes by monitoring the chemistry of the drip waters entering the cave and finding correlation between the drip water chemistry, the dripping rates and the surface precipitation. The work involves the application of several classical and instrumental analytical techniques as well as advanced sampling and monitoring techniques both on the surface and below the water level.

Location: Building Ch/2.
Department of Organic Chemistry and Technology
Email: jkupai@mail.bme.hu

Enantioselectivity is when one enantiomer of a chiral product is preferentially produced in a chemical reaction. It is particularly important in the field of pharmaceuticals, and fine chemicals, as different enantiomers often have different biological activity. After the Contergan tragedy the number of pharmaceuticals containing only one enantiomer has increased significantly. Organocatalysis is a relatively new and popular field within the domain of enantioselective synthesis. It can be interpreted as the chemical processes in which the small metal free molecules are active and catalyse organic reactions. Asymmetric organocatalysis as a special case of organocatalysis operates with chiral organic molecules. Thioureas and squaramides, respectively bearing two N-H groups, acting as double hydrogen bonding donors, consequently became two of the most promising moieties that constitute the chiral organocatalysts. In fact, a variety of thiourea- and squaramide-based catalysts have been developed and successfully applied in a number of stereoselective reactions. In recent years cinchona derivatives found frequent applications in the design of various asymmetric organocatalysts, since cinchona structures are an attractive platform for catalyst development, particularly in the light of their bifunctional and chiral characteristic. In our research group new successful organocatalyts containing cinchona skeleton and thiourea or squaramide unit, respectively, were synthesized. Our aim is to develop these catalysts, and asymmetric reactions (for instance Michael additions, aldol reactions), as well, and to find possible ways to recycle these catalysts. Two different methods will be compared: immobilization to solid supports; and use of organic solvent nanofiltration (OSN).

Location: Laboratory of Hydrogenation (Building F I/2)
Department of Organic Chemistry and Technology
Email: lhegedus@mail.bme.hu

The liquid-phase heterogeneous catalytic hydrogenation is a typical reduction method in the fine chemical industry (e.g. pharmaceutical industry). However, selectivity problems can arise in case of more reducible functional groups. Moreover, the reduction of compounds having catalyst poisoning character (typically substances containing nitrogen, phosphorus or sulphur) should also be accomplished, because they are usually important and valuable pharmaceutical, plastic or agrochemical intermediates. However, the activity of a catalyst (typically supported palladium, platinum, ruthenium or rhodium catalysts) often decreases or ceases completely during the hydrogenation of such type compounds, i.e. the catalyst is poisoned. To avoid these problems, increased amounts of catalyst or auxiliary materials, such as acids which convert these substrates to a shielded form, should be used. However, these methods cannot always be applied (e.g. a reactant is sensitive to acids) and, therefore, other solutions must be found. During the research work, our aim is partly to carry out hydrogenations of some newer substances (e.g. nitriles to primary amines), which can be important and valuable pharmaceutical intermediates. On the other hand, we try to obtain more detailed information about the interactions between catalytic metals and substrates. We will examine how certain factors influence poisoning of the catalysts during the hydrogenation, what kind of relationship is between the structure of substrate and the activity, as well as that of the metal catalyst. To receive more thorough information about these phenomena, we will use quantum chemical calculation methods.

Students currently working on this project:

• Jamila Rzayeva
• Dana Atabekova
• Vusimuzi Nduli

Location: Bioorganic Chemistry Group (Building CH/2)
Department of Organic Chemistry and Technology
Email: poppe@mail.bme.hu

Selection of novel enzymes and microorganisms by bioinformatics tools, production and isolation of recombinant enzymes and whole-cell systems in cooperation with Fermentia Ltd. and Biocatalysis Group at UBB (shake vial fermentations, downstream processes, SDS-PAGE, UV-VIS test). Characterization of the biocatalysts in enantioselective biotransformations (UV-VIS, GC, HPLC measurements). Development of novel immobilization methods and micro- or nano carrier systems (microbeads, nanoparticles, nanofibers and nanoporous materials) based on selective covalent binding or entrapment techniques. Characterization of the immobilized systems by stability, reusability, storability and enzyme binding capacity tests and morphology analysis (SEM-EDAX, DLS and IR). Comparison studies of the developed biocatalyst with the commercial available forms. The main focus of the research is the efficient application of novel immobilized biocatalysts for selective production of enantiomerically pure compounds with pharmaceutical relevance (chiral alcohols, amines, carboxylic acids, amino acids and their analogues) in batch and continuous-flow systems.

Location: Bioorganic Chemistry Group (Building CH/2)
Department of Organic Chemistry and Technology
Email: poppe@mail.bme.hu

Mechanisms of enzymatic reactions using computer methods (homology modeling, ligand docking, QM / MM calculations) - Synthesis and enzyme kinetics of systematically designed ligands and inhibitors - Computer studies on chemical reactions in solution and within enzymes. The major aim of the research topic is to examine the function and selectivity of enzymes by computer methods. The mechanisms of ammonia-lyase-, aminomutase-, transaminase- and hydrolase-catalyzed reactions are primarily investigated at molecular level. In addition to the computer studies on enzymes, the research will be carried out with combined substrate or inhibitor synthesis, enzyme kinetics and enzyme structural investigations. International cooperation is mainly concerned with studying the mechanism of operation of ammonia-lyase and aminomutase enzymes.

Location: Building F II. laboratory 16A.
Department of Organic Chemistry and Technology
Email: ebalint@mail.bme.hu

Organophosphorus compounds play an important role in several fields of life; they have widespread use in organic and medicinal chemistry, as well as in agriculture and plastic industry. Over the last years, the chemistry of heterocyclic aminophosphonates has received an intensively growing interest. One of the most effective tools for the preparation of heterocyclic aminophosphonates is the synthesis via multicomponent reactions. These transformations have several benefits, such as high atom economy, fast and simple accomplishment, ability to save time and energy and being environment-friendly. Combining these features with the microwave (MW) technique provides new methods for the rapid and efficient synthesis of heterocyclic compounds. The research plan of this project covers the field of one-pot multicomponent synthesis, such as Biginelli reaction, Kabachnik-Fields reactions followed by cyclization and Hantzsch reaction for novel heterocyclic aminophosphonate and aminophosphine oxide derivatives. The reactions will be carried out mostly under MW conditions.

Student working on this thesis: Javad Iskandarov (SW6M0J)

Location: Department of Surface Technology- Bay Zoltan Nonprofit Ltd. ( Budapest, Kondorfa street 1)
E-mail: eva.fazakas@bayzoltan.hu.

Some plastic materials such as fluoropolymers are inherently UV stable and can be readily used in outdoor applications. However, most unmodified plastics will eventually become brittle and exhibit changes in appearance when used outdoors. Due to advances in polymer technology, it is now possible to modify plastics that would otherwise quickly degrade in outdoor environments with additives, coatings, and/or coextruded surfaces to extend their outdoor life. These enhanced plastic materials have excellent weatherability and will often provide many years of service in outdoor applications.

The service life of a plastic part in an outdoor environment will depend on a number of factors including:

• • Climate (the operating temperature range and the presence or absence of humidity)
• • Orientation of the part in relation to the sun
• • Part geometry
• • The color of the material
• • Mechanical stresses on the part

The main goal of this project is to discuss the influence of the primary environmental parameters, i.e., light, heat and the polymer structure and chemical make-up of the polymeric composites on the fundamental degradation processes.

Location: Spectroscopy Laboratory (Building F)
Department of Physical Chemistry and Materials Science
Email: kubinyi@mail.bme.hu

In a cooperative project with synthetic chemists, the Spectroscopy Group of the Department develops novel fluorescent synthetic receptors for the optical detection of biomolecules. Recent examples for such sensors have been our fluorescent indicator displacement assays for the detection of amino acids, nucleotides and neurotransmitters. The student joining our team will perform spectroscopic experiments in order to characterize the selectivity and sensitivity of the fluorescent sensors, to determine the equilibrium constants and rates of the complex formation reactions, to describe the photophysical and photochemical properties of the dyes in their free state and bound to the target molecules. The main experimental techniques applied in our project are stationary and time-resolved fluorescence spectroscopy and NMR spectroscopy. The observed behavior of the sensors will be explained on the basis of theoretical calculations.

Location: Laboratory of Plastics and Rubber Technology (Building H/1)
Department of Physical Chemistry and Materials Science
Email: ecsiszar@mail.bme.hu, nagy.sebestyen@mail.bme.hu

One of the most abundant polymers of biomass is cellulose, a linear macromolecule that forms fibrillar structure with high crystallinity. Recently, the most promising research area in the field of cellulosic materials is aiming to recover the crystalline units and investigate the properties and possible application areas of these so called cellulose nanocrystals (CNCs). The rod-like nanoparticles combine the excellent properties of cellulose with fascinating characteristics of the nano-sized materials. A promising application of CNCs is the production of thin films. Properties of these films are to be improved, for instance by adding plasticizer and cross-linking agents to nanocrystal suspensions during film casting. Cross-linking of nanocrystals causes a tough network structure, in which crystals are chemically linked. Different cross-linking agents are about to be tested in the frame of the project.

Location: Laboratory of Plastics and Rubber Technology (Building H/1)
Department of Physical Chemistry and Materials Science
Email: kirschweng.balazs@mail.bme.hu, bpukanszky@mail.bme.hu

Stabilizers must be used in order to protect polyolefins during processing. Because of the possible physiological effects of the degradation products of synthetic phenolic antioxidants, the interest is focused more and more on the use of natural antioxidants. Earlier we characterized and compared different flavonoid type, natural substances and found a wide range of stabilizing efficiency. We concluded that there are correlations between the applied concentrations and chemical structures of the additives, interactions between primary and secondary stabilizers and their stabilizing efficiency. In our current work we characterize the protective effect of silymarin, the main antioxidant component of milk thistle, on Phillips type polyethylene during its processing.

Location: Centre for Colloid Chemistry (Building F I/mezzanine floor)
Department of Physical Chemistry and Materials Science
Email: zhorvolgyi@mail.bme.hu, emokealbert@mail.bme.hu

Semiconductor materials have a great importance e.g. in wastewater and air purification, due to their photocatalytic property. The aim of this work is the development of various (ZnO, TiO2, SnO2) semiconductor sol-gel coatings, as well as their composites with photocatalytic property under UV and visible light. Coatings will be deposited on glass and polycarbonate surfaces by dip-coating and spin-coating techniques. Both compact and mesoporous coatings will be prepared. Layer thickness and refractive index of the coatings will be studied by UV-Vis spectroscopy. Their porosity will be estimated, in view of the effective refractive index, applying the Lorentz-Lorenz equation. Pore radius distribution of the developed coatings will be determined by ellipsometric porosimetry. Surface morphology and pore structure will be investigated by TEM and SEM measurements. Photoactivity of the developed samples against different organic dye molecules (e.g. Rhodamine 6G, methylene blue, methyl orange) under UV and visible light will be studied and compared thoroughly.

Location: Spectroscopy Laboratory (Building F, Staircase I, 1st floor)
Department of Physical Chemistry and Materials Science
E-mail: kallay@mail.bme.hu

Modern quantum chemistry enables the theoretical determination of numerous molecular properties. The theoretical results, because of the approximations invoked, are frequently inaccurate, and even today, quantum chemical calculations with experimental accuracy are only feasible for small molecules. The main purpose of this project is to develop new quantum chemical methods that are applicable to large molecules and simultaneously provide results sufficiently close to the experimental data. The existing accurate methods are currently practical for molecules of up to a couple of dozens of atoms since their computational expenses are high, that is, a calculation takes for a long time and requires high-performance computers. The considerable computational cost can be explained by the fact that these models are based on the solution of large systems of equation, frequently including several billions of variables. In general, the more accurate a methods is, the more variables are required and the higher the computational expenses are. The accuracy goal will be achieved, on the one hand, through the reduction of the computational cost of accurate quantum chemical calculations, without sacrificing accuracy. On the other hand, approximations based on the electron density will be used, which can be parametrized by a smaller number of variables. In addition, models will be developed that describe the chemically important part of a molecule using an accurate but expensive method, while a lower-level but cheaper approach is employed for the rest of the system. The developed methods will be applied to real-life problems in various fields of chemistry.

Location: Laboratory of Plastics and Rubber Technology (Building H/1)
Department of Physical Chemistry and Materials Science
Email: amenyhard@mail.bme.hu

Semicrystalline polymers are used in our everyday life as commodity polymers, because of their advantageous properties and usually due to their low costs. The properties of these polymers, however are strongly dependent on their complex crystalline structure. Isotactic polypropylene is a very good example for this, since it is a cheap polymer and its properties can be varied within a wide range throughout the targeted manipulation of its crystalline structure. Recently this polymer is used as transparent baby bottle or as car bumper as well. A special additive called nucleating agents is used in the industrial practice in order to change the crystalline structure and consequently the properties. Although, the basics of crystallization and nucleation are well-known in the literature every single material has its own characteristics, thus the development of general structure-property correlations, which can be used for designing better products is complicated and consequently their number is limited. The main goal of this project is to develop such general correlations between the structure and the mechanical and/or optical properties of semicrystalline polymers as well as the designing of unique structures with expectedly unique properties.

Location: Laboratory of Catalysis (Building DCs, Catalysis Research Laboratory)
Email: laszlo.t.mika@mail.bme.hu

The chemical industry uses enormous amounts of solvents for many chemical transformations and processes. Since these usually indispensable auxiliary materials could provide one or more liquid phase for the reactions, reduce density and viscosity, regulate temperatures, assist separation etc., a “solvent friendly chemical thinking” has evolved from laboratory to industrial operations. Even common organic solvents having high toxicity, flammability with high vapor pressure could raise serious environmental concerns by uses at low temperatures. For example, over 6 Mt of volatile organic compounds including conventional organic solvents was released in EU28 in 2015. Consequently, the replacement of these usually fossil-based organic solvents with greener alternatives having low vapor pressure even at high temperature, low or no toxicity, and low flammability is a crucial part in the development of greener and cleaner chemical technologies. The main goal of this project is to develop the synthetically important cross-coupling reactions in alternative reaction media (bioliquids and ionic liquids) including investigation of catalyst precursors, optimization of reaction conditions, and functional group tolerance.

Location: Laboratory of Catalysis (Building DCs, Catalysis Research Laboratory)
Email: laszlo.t.mika@mail.bme.hu

The utilization of biomass as one of the preferred alternatives to fossil resources to produce building block of chemical industry and/or fuel additves has drawn researchers’ attention to novel platform molecules, such as levulinic acid and its esters and -valerolactone (GVL). Although, the synthesis of these substances have been widely investigated, only few data are available their separation from the crude reaction mixture. The main goal of this project is to measure and model the vapor-liquid equilibrium of selected binary mixtures, which is crucial for subsequent design and development of large scale manufacture of these biomass-based platform chemicals.

Location: Laboratory of Extraction Research Group (DCS building main lab)
Email: evagi@mail.bme.hu

Agricultural by-products, side streams and wastes contain several bioactive compounds, which are usually not identified and quantified, therefore these side streams are ended up on landfills or used as animal feed. The skin and seeds of vegetables and fruits are rich in natural colorants, antioxidant and antimicrobial active compounds and these by-products are available in large quantities at any food processing industries. With identification and quantification of these bioactives the waste stream can be reduced and high valued products can be obtained from these streams. Our research team aims to develop techniques and procedures for extracting and concentrating these high valued compounds and produce them in clean, stabile forms being able to use them in food-, cosmetic- or nutraceutical products. Firstly traditional solvent extraction and / or steam-distillation techniques are used in laboratory and pilot-plant scales then the bioactives in the extracts are qualified by different analytical techniques (spectrophotometric methods, in vitro antioxidant tests and GC or HPLC). Identified bioactives can be also extracted by supercritical carbon-dioxide extraction, which is an environmentally benign technology using carbon-dioxide as a solvent obtaining solvent-free, thermally un-damaged extracts. 2 students may select this topic, they are going to work with different raw materials.

Location: F building II. 201,
Email: sz-edit@mail.bme.hu

In order to be able to design a separation or reaction process it is essential to know the phase equilibrium behavior of the compounds involved. The tasks is to perform systematic cloud point measurements and evaluate the data. The student selecting the topic will learn how to handle, assemble, disassemble a top quality high pressure phase equilibrium measurement unit and to use suitable softwares for fitting models to the measured data. The topic is open to students (max 2 in each semesters) able to perform laboratory work with high accuracy and in a reliable manner. The results are going to be used to design separation or reaction setups and in international journal publications, where the student is a coauthor, if the results are of high quality.

Location: F building II. 203.
Email: gresits@mail.bme.hu

X-ray fluorescence (XRF) is the emission of characteristic "secondary" (or fluorescent) X-rays from a material that has been excited with high-energy X-rays or gamma rays. The phenomenon is widely used for elemental analysis and chemical analysis. The major advantages of the method are being non-destructive and very sensitive. The student will study how to perform and evaluate XRF analysis.

Email: csikor@eik.bme.hu

The purpose of the study is to investigate the effect of several factors (pH, T, yeast type etc.) on methanol and higher alcohol content of fermented fruit pulps, used in brandy (pálinka) production. The student will have to work at the laboratory of the National Food Chain Safety Office, so only diligent student will be accepted with some experience in analytical chemistry (and preferably some biology, biotechnology, or food chemistry).