Division of Chemistry
The Division of Chemistry is part of the Department of Chemistry and Biotechnology at Tallinn University of Technology. The main research areas of the division include analytical, computational, industrial, organic, supramolecular, and wood chemistry. The Division of Chemistry is responsible for education in these fields at the bachelor's, master's, and doctoral levels, thus ensuring the ongoing cultivation of proficient specialists in chemistry. In our research and teaching, we put emphasis on the development and implementation of sustainable and green thinking.
The research and teaching facilities at the Division of Chemistry are furnished with modern equipment, supporting high-level research and education. A total of 10 research groups operates within our division, with approximately 80 academic staff members, including 4 professors and 25 doctoral students. Our researchers are engaged in international networks and cooperations, making their research worldwide visible.
Head of division
Analytical Chemistry
Analytical chemistry can be considered an inseparable part of many scientific disciplines and materials production. All methods that are concerned with the identification, quantification and characterization of substances in complex matrices are associated with the application of analytical chemistry.
Our research aims at the development and application of new, environmentally friendly and reliable analytical techniques for environmental, food, biomass, forensic and clinical analysis. For that we utilize a wide range of instrumentation tools and technology. This incorporate mass spectrometry, separation analysis, and hybrid technologies, such as HPLC/MS nad GC/MS. The varying analytical instruments and equipment solutions also available in our lab, include content analyzers, chromatographs, titrators, spectrometers and other specialties.
We strive to contribute to a safer and healthier world by promoting the Green Analytical Chemistry concept in our research. We develop analysis techniques and procedures to decrease or eliminate solvents, reagents, and other materials that are dangerous to the individual or the ecosystem and provide rapid and energy-saving methodologies. For that we apply statistical experimental design (DOE) to decrease the amount of experiments during process optimization stage and develop non-destructive (sample preparation minimized) cutting-edge analytical technologies, combined with chemometric tools (multidimensional data analysis and modelling), which are almost free of hazardous chemicals and waste, fast and provide accurate, reliable and consistent results.
We conduct multidisciplinary R&D projects in collaboration with other research groups and companies. For additional information visit our group website
If you are a student and interested in non-routine, specific analysis and method development, join our group!
Members
Principal Investigator: Dr. Maria Kulp, Senior Researcher
Scientists: Dr. Maria Kuhtinskaja (dotsent), Dr. Olga Bragina (Researcher)
PhD Students: Evelin Solomina, Tran Ho, Olivia-Stella Salm
MSc Students: Vyacheslav Shuvalov, Alisia Teras, Karl Romek Staškevitš, Fred Rainer Ränisoo, August Reila
BSc Students: Hanna-Martha Heinla, Brigitta Paasalu, Willem Thevis (Erasmus)
Catalysis
The main area of the research in professor Tõnis Kanger group is asymmetric organic synthesis. Various methods of catalysis (organo-, metal- and enzymatic catalysis) are used separately or in cooperative manner. Special attention is turned to the increase of efficiency of reactions by using selective catalysts, cascade or one-pot reactions. As a new method, a halogen bond donor catalyzed asymmetric reactions are studied. New reactions will be applied on the synthesis of biologically active compounds and their derivatives. A characteristic feature of the research is the application of the principles of sustainable and green chemistry in asymmetric synthesis. The synthesis is supported by spectroscopic and crystallographic experiments, chromatography and quantum chemical calculations.
Members
Group leader: Prof. Tõnis Kanger
Researchers: Kadri Kriis, Andrus Metsala, Kristin Erkman
PhD students: Kaarel Hunt, Harry Martõnov, Annette Miller, Kerli Tali
Students: Mia Peterson, Ott Velmet, Kristin Liias, Roman Mihhejev, Ivan Levenko
Cocatalysis
Research group is dedicated to pushing the boundaries of chemical reactivity, with a profound commitment to environmental stewardship and sustainability. The central challenge we address is the development of environmentally benign methods for synthesizing complex compounds, particularly those that are chiral. Our focus is on leveraging asymmetric organocatalysis. By harnessing the synergistic effects of different catalytic systems, we want to develop innovative processes that meet societal needs and align with the goals of sustainable chemistry.
Members
Principle investigator: Dr. Mikk Kaasik
Researcher: Dr. Aleksandra Murre
PhD student: Kirti
Students: Pille-Riin Varusk
Ongoing research projects
PSG951 "Merging Organocatalysis with Borane Catalysis in Asymmetric Synthesis (01.01.2024–31.12.2028)"
Computational Chemistry
Computational chemistry utilizes methods based on quantum physics and molecular mechanics in order to model chemically relevant systems and processes. In our research group we are using mainly density functional theory-based models for studying of reaction mechanisms and molecular structure. Our competencies include modelling of inorganic coordination compounds and weakly bound complexes. Recently we have added molecular mechanics, machine learning and computational fluid dynamics to our arsenal. We utilize a variety of computational chemistry software, eg Gaussian, Orca, Turbomole, CP2K, Amber, Gromacs, etc. In addition to an in-group compute cluster we have access to the ETAIS computing clusters, some of which are located on campus.
We have developed descriptions of molecular systems for machine learning models, which are invariant relative to molecular rotations as well as re-numbering of the atoms. At present, we are working on developing machine-learning models for dissolution of solid phosphates in strong acids. The models will allow us to optimize conditions of mineral processing in industrial settings.
In collaboration with the Department of Energy Technology of TalTech we are working on a fluid dynamics model of closed-loop fluidized bed oil shale combustor. This will allow for a detailed analysis of the processes occurring inside the combustor, eventually leading to combustion technologies free from CO2 emissions into the atmosphere.
Combination of machine learning, quantum mechanics, molecular mechanics and fluid dynamics approaches is showing promising results in modelling of processes with practical applications where descriptions at all levels – from molecular to reaction vessel size – need to be taken into account simultaneously.
Members
Head of the group: Toomas Tamm
PhD students: Aleksandra Zahharova, Hanna-Eliisa Luts, Arian Lopušanski.
Industrial Chemistry Laboratory
Technological further developing the use of oil shale is strategically important for Estonia both socially and economically. Due to the overproduction of oil in the world and the low oil prices, the establishment of an additional shale oil production plant is currently not reasonable and oil production will continue to depend on the price of oil on the world market, which is not stable.
The oil shale research group deals with the valorization of oil shale by its direct degradation to dicarboxylic acids (DCA) and their derivatives, which in turn are raw materials or components of polymers, paints, lubricants, construction chemical products (polyurethanes and construction foams) and many other special materials. At the market price, DCA is ~ 5-100 times more expensive than shale oil, but the products made from it are even more expensive.
Two new methods of chemical decomposition of oil shale – air oxidation (WAO) and nitric acid oxidation were studied within the project “New technological platform for oil shale kerogen enhancement: partial oxidation and further conversion to valuable dicarboxylic acid derivatives” (Smart Specialization Program). Oxidation with both WAO and nitric acid produces dicarboxylic acids from oil shale and its concentrates.
Currently, the work continues in the framework of the Smart Specialization Program. The aim of the project “Technological Platform for Processing Oil Shale Kerogen into Dicarboxylic Acids” is to promote the new oil shale processing technology and to identify product development opportunities. The project consists of two parts: research, which explores different possibilities for creating a continuous-flow technology, and the second part, which involves product development based on the first result.
Margus Lopp, professor, head research scientist
Jaan Mihkel Uustalu, PhD, chief officer
Kristiina Kaldas, PhD, senior reseacher
Tiina Kontson, PhD, chief officer
Andres Siirde, PhD, chief officer
Birgit Mets, PhD, senior reseacher
Estelle Silm, PhD, chief officer
Kati Muldma, engineer
Simm Aia, engineer
Galina Varlamova, PhD, project assistant
Villem Ödner Koern, engineer
Patent
Lopp, M.; Kaldas, K.; Preegel, G.; Muldma, K.; Niidu, A. Põlevkivi kerogeeni oksüdeeriva lahustamise meetod. Est. Pat. Appl. (2021), EE 2019000020 A 20210215.
Instrumental Analysis
The research group of instrumental analysis solves important societal problems by developing and applying modern analytical methods using instrumentation like gas and liquid chromatography, capillary electrophoresis, spectroscopy, mass spectrometry, etc. There are many areas of research that we are involved in, like identification of prohibited substances, food and environmental safety, bioactive compounds in food and medicinal plants, micro- and macroelements in food and other natural sources. An important part of this research is the development of novel extraction methods in accordance with the principles of green analytical chemistry utilizing environmentally friendly solvents (deep eutectic solvents, ionic liquids, supercritical fluids). Our research is focused on the isolation and analysis of plant phytochemicals, including the determination of their antioxidative, antibacterial, and anticancer activities. Our aim is to find novel lead compounds active against multidrug-resistant bacteria and/or Borrelia burgdorferi, the causative agent of Lyme disease, both of which are causes for global health concerns. Additionally, we work on the development of different novel materials like aerogels that are used as adsorbents, drug carriers, and catalysts in electrochemistry and water purification.
Members
Principal Investigator: Dr. Merike Vaher (Leading Scientist), CV
Scientist: Dr. Mihkel Kaljurand (Professor Emeritus, Senior Scientist), Dr. Mihkel Koel (Leading Scientist), Dr. Piia Jõul (Scientist), Dr. Olga Bragina (Scientist)
PhD Student: Pille-Riin Laanet (PhD Student-Early Stage Researcher)
MSc Students: Annabel Daniel, Eva-Liisa Tiru, Irina Petrova
BSc Students: Emma Victoria Talvik, Maian Reinkubjas, Paul Mitt
Ongoing projects
Evaluation of antioxidant and antibacterial activity of plant extracts Evaluation of antioxidant and antibacterial activity of plant extracts Evaluation of antioxidant and antibacterial activity of plant extracts
Estonian Center of Analytical Chemistry
SmartAGRO
Supramolecular Chemistry
Supramolecular Chemistry research group is studying intermolecular chemistry, encompassing methods of analytical, organic, and physical chemistry. We are engaged in the development of efficient and environmentally friendly synthetic methods and use them for the preparation of macrocyclic receptor molecules (such as hemicucurbiturils). Development on new mechanochemical synthesis methods is therefore in focus of our interest. Mechanochemistry allows reactions to be performed faster than in dilute solvents and helps to reduce the carbon footprint of chemical processes by avoiding organic solvents. We are studying the formation, structure and properties of nanometer sized macrocyclic molecules. Also, we look for their ability to form complexes and therefore we are routinely applying various quantitative and qualitative analysis methods. We are engaged in the creation of selective receptor molecules that could act as chemosensors for determination of analytes and pollutants, as well as selective absorbents. Since the building blocks of nature are chiral, we focus on chiral molecules. We also study the induction of chirality to molecules giving strong optical signal in low energy regon (e.g., metalloporphyrins). Selective host molecules like macrocycles are useful for development of sensors, sorbents, and regulators of activity of biomolecules.
We routinely perform analysis on following instrumentation (HPLC-UV, HPLC-MS, HRMS, NMR, UV-Vis, IR, FS, SC-XRD). In addition, we analyze the properties of chiral substances by circular dichroism (CD) and vibrational circular dichroism (VCD) spectroscopies.
If you are interested in doing an internship, dissertation or research in our group, please contact the head of the research group Professor Riina Aav (riina.aav@taltech.ee), see also our group page:
Group members: Dr. Dzmitry Kananovich, Dr. Victor Borovkov, Dr. Lukaš Ustrnul, Dr. Karin Valmsen, Dr. Marina Kudrjašova, Dr. Elena Prigorchenko (maternity leave), Nele Konrad, Tatsiana Nikonovich, Tatsiana Jarg, Mari-Liis Brük, Jevgenija Martõnova, Marko Šakarašvili, Kristjan Siilak, Jagadeesh Varma, Elina Suut-Tuule, Rauno Reitalu.
1. Dalidovich, T.; Mishra, K. A.; Shalima, T.; Kudrjasova, M.; Kananovich, D. G.; Aav, R. Mechanochemical Synthesis of Amides with Uronium-Based Coupling Reagents: A Method for Hexa-amidation of Biotin[6]uril. ACS Sustainable Chemistry & Engineering, 2020, 8 (41), 15703-15715. DOI: 10.1021/acssuschemeng.0c05558.
2. Mishra, K.; Adamson, J.; Öeren, M.; Kaabel, S.; Fomitšenko, M.; Aav, R. Dynamic chiral cyclohexanohemicucurbit[12]uril, Chemical Communications, 2020, 56, 14645-14648 , DOI: 10.1039/D0CC06817A
3. Kaabel, S.; Stein, R. S.; Fomitsenko, M. Jarving, I.; Friscic, T.; Aav, R. Size-Control by Anion Templating in Mechanochemical Synthesis of Hemicucurbiturils in the Solid State. Angewandte Chemie International Edition. 2019, 58, (19) 6230-6234. DOI: 10.1002/ anie.201813431. Featured on cover
4. Ustrnul, L.; Kaabel, S.; Burankova, T.; Martõnova, J.; Adamson, J.; Konrad, N.; Burk, P.; Borovkov, V.; Aav, R. Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n]urils (n = 6, 8) Chemical Communications, 2019, 55, 14434-14437, DOI: 10.1039/C9CC07150D
5. Kaabel, S.; Adamson, J.; Topic, F.; Kiesila, A.; Kalenius, E.; Oeren, M.; Reimund, M.; Prigorchenko, E.; Lookene, A.; Reich, H. J.; Rissanen, K.; Aav, R. Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution. Chemical Science, 2017, 8 (3), 2184-2190. DOI: 10.1039/C6SC05058A.
Sustainable Chemistry and Engineering
Our research activities are focused on designing efficient, safe, and environmentally benign chemicals, formulations, and processes. We target chemical transformations in accordance with the concept of sustainability and the principles of green chemistry. Greener organic chemistry is applied to the development of more sustainable organic synthesis methods to obtain small molecules and functional materials for biomedical, environmental, or industrial applications. We explore rational design of (i) antidotes-reactivators of AChE inhibited by toxic organophosphorous compounds and (ii) potential anticancer agents using methods and practices of medicinal chemistry. We develop innovative formulations for drug delivery based on functionalized carbon nanoparticles (nanodiamonds and nanodots) and biocompatible and biodegradable platforms. Renewable feedstock in chemistry principle is fulfilled through inventing new more sustainable protocols for biomass valorization and designing novel lignin-based materials for catalysis, biomedical application, and climate-resilient construction, following principles of circular bioeconomy. Design for degradation is supported by study of biodegradability via OECD 301D Closed Bottle Test facility installed by the team to identify low-toxic and mineralizable transformation products, targeting “benign-by-design” approach. Risk management of technogenic accidents includes improvement of (i) antidotal and decontamination formulations for more sustainable kits for the first responders and volunteers; (ii) more sustainable disinfectant formulations, and (iii) prevention and reduction of chemical and biological threats with support of Artificial Intelligence (AI) and Deep Learning (DL) techniques to enable distinguishing of toxic industrial compounds, bacteria, fungi and viruses based on their unique fingerprints within a complex environment.
Main research topics
- Greener methods for organic synthesis and medicinal chemistry
- Renewable feedstock in chemistry via chemical valorisation - lignin and peat
- Design for degradation via biodegradability study and “benigh-by-design” approach
- Technogenic risks mitigation via novel formulations for first responders and via reconnaissance and prevention of chemical and biological threats.
Members
Principal investigator: Dr. Yevgen Karpichev , Senior researcher
Scientists: Dr. Denys Bondar (Researcher), Dr. Olga Bragina (Researcher)
PhD students: Mahendra Kothottil Mohan, Nandish Nagappa, Nadiia Shevchenko
BSc students: Janari Olev, Sofija Mosjakina, Daria Maljuk
Collaborations
Research group has a broad international network for academic exchange and short-term scientific missions for staff members and students of all levels abroad and for hosting visiting trainees from Germany, France, Ukraine, Algeria, India, etc. in TalTech. The team is a core group at School of Science for training of European Master in Biological and Chemical Engineering for a Sustainable Bioeconomy (Bioceb) students. The team has installed collaboration with industrial partners in Estonia and abroad, e.g. with Gemini PharmChem Mannheim GmbH (GER)/Synbias Pharma AG (CHE) group, to develop new prospective systems based on anticancer anthracycline drugs.
Contact
Dr. Yevgen Karpichev, Senior researcher
Email: yevgen.karpichev@taltech.ee
Address: Loodusteaduste building, Akadeemia tee 15, room 408
CV: Yevgen Karpichev | CV
KIK21045 “Uute energiamaterjalide arendamine ringmajanduse tehnoloogiate jaoks’ / “Novel energy materials for circular economy technologies” (01.07.2021–01.09.2023)
Contact: Yevgen Karpichev
The project achieved significant results in various aspects of the circular economy:
- Developed materials with a high Chemical Element Sustainability Index in the context of the circular economy. This includes the creation of a Bi-containing metal-organic material and the successful demonstration of CO2 conversion into high-demand chemicals like formate and formic acid using a novel electrocatalyst. This involved preparation, optimization of catalytic performance and selectivity, enhanced CO2 electroreduction, and scaling up for a CO2 capture pilot setup.
- Improved the performance of Zn-air batteries, which offer a potentially cheaper and safer alternative to lithium-ion batteries, by incorporating non-critical elements as mineral additives, thereby enhancing the valorization of mineral resources.
- Explored the extraction of rare-earth metals and water treatment using Metal-Organic Frameworks (MOF) as prospective adsorbents. This research focused on optimizing the composition and porosity of MOFs, assessing their performance, regeneration, and reusability in the context of rare-earth metal extraction and water treatment.
Collaboration on this project was conducted in partnership with Prof. Nadezda Kongi from Institute of Chemistry, University of Tartu (www.kongilab.com).
In memory of Pavel Starkov, our colleague and friend
Synthetic Flow Chemistry Group
The research in the group is focused on the development of new electro- and photochemical transformation in continuous-flow. Our research is multidisciplinary, as we combine modern organic synthesis techniques with chemical engineering in order to achieve high efficiency and sustainability. In electro- and photochemical reactions, electricity or light are used as traceless and green reagents to generate highly reactive species under mild reaction conditions, which gives access to the new reaction pathways. Moreover, the potential to harvest sustainable electricity from solar or wind energy and using daylight directly to perform reactions makes electro- and photochemistry highly attractive. In our group, we perform such transformation not in conventional chemical flask or test tubes, but in specially designed flow photo- and electromicroreactors, where solution of chemicals is continuously pumped through the active reactor zone. Due to the continuous nature of the process, such transformations are easy to scale up merging the gap between academia and chemical industry.
Members
Group leader: Prof. Maksim Ošeka
Scientists: Dr. Mariliis Kimm
PhD students: Anastasiya Krech, Marharyta Laktsevich-Iskryk, Biswadeep Manna, Pallav Suman
Students: Rasmus Käsper, Mihhail Fokin, Nora Deil
Wood Chemistry
The core laboratory of wood chemistry and biomass valorization technologies unites the laboratories of instrumental analysis, structural biology and lignin biochemistry and the laboratory of sustainable chemistry and technologies under one umbrella with topics related to the development of technologies and strategies for wood and plant biomass valorization. The external collaborative partners of the core lab are Tartu University, Estonian University of Life Sciences as well as the National Institute of Chemical Physics and Biophysics. Additionally, the core group actively collaborates with the Department of Materials and Environmental Technology (Prof. Krumme and Prof. Kers). The research activities of the core lab are coordinated by Dr. Tiit Lukk.
The core laboratory of wood chemistry and biomass valorization technologies carries out interdisciplinary work in the following research areas:
Fractionation and analytical chemistry of wood polymers:
Dr. Maria Kulp – group leader
Evelin Solomina
Tran Ho
Olivia-Stella Salm
Violetta Umerenkova
Alisia Teras
Karl Romek Staškevitš
Functional materials from wood polymers:
Dr. Mihkel Koel ja Dr. Yevgen Karpichev – group leaders
Dr. Piia Jõul
Mahendra Kothottil Mohan
Jose Morales
Daniel Sööt
Biochemical valorization of biomass:
Dr. Tiit Lukk – group leader
Dr. Eve-Ly Ojangu
Dr. Kairit Zovo
Hegne Pupart
Kannan Thirumalmuthu
Maarja Lipp
Marcel Mäger
Ander Erik
Epp Väli
Valorization of secondary biomass sources:
Dr. Maria Kuhtinskaja ja Dr. Merike Vaher – group leaders
Dr. Tiit Lukk
Marlen Leemet
Annabel Taniel
Funding:
MOBTT60 - The role of actinomycete metalloproteins in lignin depolymerization and soil chemistry
RESTA11 - Development of chemical and biochemical valorization technologies for bleached chemithermomechanical pulps (BCTMP) and secondary woody biomass sources.
KIK21023 - Development of technologies for the valorization of mandarin pomace waste with the goal of alleviating the environmental impact of Georgian fruit juice industry while utilizing the principles of circular economy