Chemistry

Topic title	Possible scientific supervisors	Source of funding
Studies of responsive biopolymeric derivatives	prof. dr. Ramunė Rutkaitė	state-funded	Research Topic Summary. Responsive natural or synthetic macromolecules are of great interest in various fields. Among these responsive macromolecules, amphiphiles containing natural blocks, such as polysaccharides, have attracted the most attention because they are non-toxic, non-immunogenic, biocompatible, biodegradable, and renewable. Polysaccharide based amphiphilic copolymers might represent a new class of biopolymeric materials with potential applications in different fields such as medicinal applications and pharmaceutics where the design of nano or microdevices carrying a polysaccharide chains can be also of interest for therapy, vaccination and diagnostic purposes. The aim of this research work – to obtain various modified polysaccharide structures having both hydrophilic and lipophilic groups and to explore their properties in the light of different potential applications. During the course of the project chemical and physical modification of natural polysaccharides will be performed to obtain the derivatives of different structure, amphiphilicity, charge density (either neutral or charged), molecular weight etc. The aggregation behavior of obtained amphiphilic polysaccharides in water in response to environmental conditions will be also assessed. The developed materials will be also tested in some applications such as controlled delivery of target compounds via stimuli responses e.g. pH, temperature, enzyme-degradation etc.
Synthesis of Biologically Active Heterocyclic N-Substituted Amino Acid Derivatives	m. d. dr. Ingrida Tumosienė	state-funded	Research Topic Summary. Heterocyclic compounds are important biologically active substances. One of the challenges of modern medicine is the growing resistance of pathogens to existing widely used drugs. The search for new functional materials involves both the modification of the structure of known compounds by their functionalization and the development of new original molecules, as well as study of their structure and properties. During the study, five- and six-membered heterocycles could be synthesized through condensation reactions with carboxylic acid derivatives. This approach enables development of compounds with specific biological activities, such as antibacterial, antifungal, anticancer, and other effects. Cyclization of N-substituted amino acids is an excellent method for incorporating a heterocyclic structure, adding bioactivity-enhancing fragments and allowing precise control over the properties of the final product. The planned research will contribute to the development of new compounds and could open pathways for creating pharmacologically significant substances. Such work is crucial for advancing innovation in the pharmaceutical field, as the search for new pharmaceutical substances is especially relevant today due to the diminishing efficacy of many conventional drugs.
Design and synthesis of high-efficiency organic emitters for organic light emitting diodes	vyresn. m. d. dr. Viktorija Andrulevičienė	state-funded	Research Topic Summary. Organic light-emitting diodes are one of the most advanced solutions for creating efficient and energy-saving displays and lighting systems. To achieve even higher performance, researchers are developing new organic emitters that operate on the principles of thermally activated delayed fluorescence, room temperature phosphorescence or doublet emission. These processes help to obtain efficient light emission, reducing energy losses and increasing the performance of devices. During the research, new highly efficient emitters for organic light-emitting diodes will be synthesized and investigated.
Synthesis and investigation of the electron-transporting materials for perovskite solar cells	vyresn. m. d. dr. Artiom Magomedov	state-funded	Research Topic Summary. The PhD project aims to address efficiency limitations in inverted perovskite solar cells due to the interface between fullerene C60 and perovskite, with a focus on sustainability. Inspired by recent breakthroughs with non-fullerene acceptors (NFA), the research involves synthesizing new electron-selective materials. Key objectives include optimizing synthesis conditions, analyzing optoelectronic properties, and testing applicability of materials in perovskite solar cells. It is expected, that this project will contribute to sustainable electricity production and expedite the commercialization of solar cells.
Molecular Engineering of Functional Heteroaromatic Compounds for Next-Generation OLED Technology	m. d. dr. Dovydas Blaževičius	state-funded	Research Topic Summary. New OLED materials are essential for enhancing the efficiency and lifespan of organic light-emitting diodes. As OLED technology evolves, there is an increasing need for materials that offer superior performance and durability. This research focuses on designing thermally and morphologically stable molecules for OLED technology. Quantum chemistry calculations will identify the most promising candidates, which will be synthesized and tested for their thermal and photophysical properties. New derivatives will be applied in OLED emissive layers to create highly efficient materials for next-generation OLEDs.
Evaluation of various microalgal strains as sources of edible protein and bioactive peptides	doc. dr. Michail Syrpas	state-funded	Research Topic Summary. Marine algae produce various bioactive molecules, which can be further developed as nutraceuticals and pharmaceuticals for human nutrition supplementation and disease therapy. Over the last years, various microalgae strains have attracted scientific attention as potential sources of edible proteins and bioactive peptides due to their high-protein content. However, various parameters must be evaluated and optimized before utilizing microalgae as sustainable sources of dietary proteins and bioactive peptides. Therefore, this project aims to evaluate the potential of various microalgal strains as sustainable protein and bioactive peptide sources. Towards this: (1) total protein content, amino acid profile, and protein digestibility of microalgal-derived proteins will be evaluated; (2) to assess the efficiency of various techniques (e.g. enzymatic hydrolysis, and microbial fermentation) to release bioactive peptides from microalgae (3) the obtained fractions will be screened for their functional properties (i.e., antioxidant, enzyme inhibiting activity) with various bioassays; (4) based on bioassay-guided fractionation, active extracts will be further fractionated, purified, and characterized by various techniques to identify and/ or synthesize target active peptide(s). Results from this research are expected to lead to at least three scientific publications in international peer-reviewed journals, which will also be presented at national and international conferences. Moreover, it is highly anticipated that besides the scientific value and outputs of the planned project, successful implementation of this project's activities may lead to practical applications with commercialization potential. Overall, this research is expected to attract interest from various stakeholders and empower future collaborations with academic and industrial partners.
Formation and study of metal chalcogenide layers on the surface of various substrates	doc. dr. Remigijus Ivanauskas	state-funded
Metal sulphide composites for photocatalysis and antibacterial studies	prof. dr. Ingrida Ancutienė	state-funded	Research Topic Summary. The aim of the work is to prepare metal sulfide composites by a simple and easily controlled method, used as photocatalysts for environmental pollution reduction, efficient water splitting and antibacterial applications. Metal sulfides are considered to be prime photocatalysts for the degradation of pollutants in an environmentally friendly way, they have a high photothermal conversion capacity and are effective bactericides. Metal sulfide-based composites are excellent catalysts for the hydrogen formation reaction due to their strong absorption of visible light and appropriate photo redox potential. The synthesis of metal sulfide composites with visible light absorption, good stability, and excellent photocatalytic properties is an important area of research.
Synthesis and characterization of nanostructured nitride and oxide coatings for electrochemical ammonia production	prof. dr. Eugenijus Valatka	state-funded
Synthesis and investigation of N-aryl substituted amino acids and their derivatives with azole and azine moiety	prof. habil. dr. Vytautas Mickevičius	state-funded	Research Topic Summary. Recently, a lot of attention has been paid to heterocyclic compounds with antimicrobial, fungicidal, analgesic, sedative, anticancer, etc. properties. The most stable and common ones are five- and six-membered heterocycles with oxygen, nitrogen and sulfur atoms in nature. Carboxylic acid hydrazides and hydrazones are widely used in synthetic and analytical chemistry, known as plasticizers, polymer stabilizers or polymerization initiators. Herbicides, insecticides, fungicides, growth regulators, medicinal substances with antituberculosis, antitumor, antibacterial, antispasmodic effects were also found among them. In addition, they are used in the synthesis of five-, six-membered nitrogen-containing heterocyclic compounds with one, two or three nitrogen atoms in the ring. One of the methods for obtaining these compounds is various cyclocondensation reactions of carboxylic acids and their hydrazides. N-aryl substituted amino acids, their cyclization products in which salts, amides, hydrazides, esters, thioesters and nitriles stimulate the growth of outdoor plants, some substituted pyrrolidinones are used as medicinal products and are used in the treatment of cancer, atherosclerosis, diabetes, mental disorders. The essence of the planned work is to synthesize potentially biologically active variously substituted pyrrole, thiazole, pyrazole, oxadiazole, thiadiazole, triazole and azine heterocyclic systems, to determine their structure and to study their chemical and biological properties. The practical significance of the work will be described by the investigation of the antibacterial properties of some synthesized compounds and the evaluation of the dependence of their activity on the chemical structure. Based on the obtained data, it will be possible to develop a methodology for targeted synthesis of antimicrobial agents and intermediates for organic synthesis.
New electroactive materials for increasing the efficiency of organic light-emitting diodes	vyresn. m. d. dr. Gintarė Kručaitė	state-funded	Research Topic Summary. Recent advances in organic optoelectronics, particularly in efficient organic light-emitting devices (OLED), have called for new electro-active organic materials as well as for new device technologies. Small OLED-based displays already generate hundreds of millions of dollars. Larger OLED displays will penetrate the television market in the not-too-distant future. Nowadays white displays play important role in lightening. Further advances of these devices substantially rely on development and studying of high-performance organic charge-transporting emitting materials, theoretical understanding of charge and energy transport in the organic systems and their well-balanced application in OLED devices.
New structure electroactive materials for second and third generation organic light emitting diodes	doc. dr. Daiva Tavgenienė	state-funded	Research Topic Summary. In order to improve and develop new OLED technologies, various classes of electroactive materials and devices made from them are being studied in many laboratories around the world. During this research, the student will synthesize and characterize carbazole, indole or fluorene-based hosts with high triplet state energy and related triplet dopants, which are intended for thermally activated delayed fluorescence devices and also for electrophosphorescent OLEDs. It is planned that both acceptor and donor fragments will be used in the structure of the materials. We plan to create phosphorescent OLED devices of a new structure after using the synthesized materials, which will have an optimal complex of electronic and film-forming properties, for the formation of multilayer devices.
Synthesis of new electroactive materials for organic light emitting diodes	prof. dr. Saulius Grigalevičius	state-funded
Synthesis of novel functional materials and application in perovskite solar cells	vyresn. m. d. dr. Kasparas Rakštys	state-funded	Research Topic Summary. The main field of proposed PhD research is the synthesis and characterization of functional materials intended for use in solar cells. This position requires multi-step synthesis skills related to charge generation and/or transport materials, novel hybrid perovskite compositions, etc. Candidates are expected to be able to carry out research independently, to be motivated, focused on high results, and hardworking. We offer excellent working conditions and an environment conducive to academic research.
Design, synthesis of new heterocyclic derivatives, containing nitrogen atom, and investigation of structure and properties	doc. dr. Vilija Kederienė	state-funded
Synthesis, structure and properties of new aza-heterocyclic compounds	prof. habil. dr. Algirdas Šačkus	state-funded
Design, synthesis and investigation of novel pyrazole-containing compounds	prof. dr. Eglė Arbačiauskienė	state-funded
Synthesis, Characterization, and Photostability Enhancement of Pyrazole-Derived Photosensitizers in Nanofibrous Polymer-Based Delivery Systems for Photodynamic Cancer Therapy	vyr. m. d. dr. Tadas Prasauskas	state-funded
Development and research of polymeric platform prototype for cancer research	vyr. m. d. dr. Edvinas Krugly	state-funded	Research Topic Summary. Tumor-on-chip (Tumor-on-chip) is a modern principle of cancer research that allows growing a tumor in an artificial microenvironment from the cells of a tumor takenfrom a human biopsy. This principle makes it possible to simulate various stages of tumor growth and its effect on drugs. During the research, the development andproduction of the chip platform will be carried out by 3D stereolithography and different methods of the electrohydrohymanic process. The chemical properties of thecreated chip are studied, the chemical modification of the surface is carried out in order to increase the biocompatibility of the starting materials, the properties ofbiocompatibility and cytotoxicity, and the formation of tumor tissue are studied.
Synthesis and investigation of potentially biologically active substances from amino acids and their derivatives	doc. dr. Birutė Grybaitė	state-funded
Characterization of the phytochemical composition and functional properties of rosebay willowherb (Chamaenerion angustifolium) extracts	prof. dr. Vaida Kitrytė-Syrpa	state-funded	Research Topic Summary. Currently, phytopreparations for prophylaxis and targeted treatment are very popular among health-conscious consumers, as modern analytical methods allow to determine the phytochemical composition of various plant materials, scientifically substantiate in vitro and in vivo functional properties of bioactive constituents, and to develop efficient isolation and application technologies thereof. Rosebay willowherb (Chamaenerion angustifolium) is valued in non-traditional medicine because of its strong antioxidant, antimicrobial, anti-inflammatory and hemostatic effects, and is used to provide supportive function to the cardiovascular, nervous and immune systems. The aim of the research – isolation of valuable constituents from rosebay willowherb (Chamaenerion angustifolium) leaves applying environmentally and human-friendly multistep biorefining (valorisation) technologies, analysis of extract phytochemical composition and functional properties, and targeted applications towards the development of functional phytopreparations. Results obtained in this research will lead to at least 3 scientific publications in international peer-reviewed journals, will be presented in the national and international conferences. The assessment of FPE functional properties in selected biological matrices will be performed during the Erasmus internships collaborating with the scientists from the foreign higher education institutions. FPE and FPE-based functional product prototypes will be presented in the international exhibition of young creators TECHNORAMA, annually organized by KTU.
Synthesis of hole transporting organic photoconductors for perovskite solar cells	prof. dr. Vytautas Getautis	state-funded	Research Topic Summary. Despite significant efforts dedicated towards development of new hole transporting materials, the field is still dominated by costly small spiro-type molecule spiro-OMeTAD and even more expensive macromolecule poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine]. The high cost of these materials arises from the expensive synthesis and purification procedures which limit their potential for applications in low-cost solar cells. Herein we plan the synthesis and characterization of a novel organic small-molecules for the perovskite solar cells. By simple reactions from readily available commercial starting materials synthesized organic molecules should be making theses hole transporting materials very appealing for commercial prospects of perovskite solar cells.