Advanced research in computational and ecological chemistry, identification of technological procedures for treatment, formation of water quality and quantity (ECOAQUA)

Strategic priority

III.Biotechnologies and environmental protection

Strategic direction

Ecological security: The impact of biotic and abiotic factors on the environment and society

Code
010603
Duration
2024-2027
Institutions
  1. Institute of Chemistry of MSU
  2. Faculty of Chemistry and Chemical Technology of MSU
Laboratories/Centers
  1. Laboratory of Ecological Chemistry
  2. Laboratory of Physical an Quantum Chemistry
  3. Laboratory of Physical and Chemical Methods of Research and Analysis
  4. Laboratory of Environmental Quality Monitoring
  5. Laboratory of Water Chemistry
  6. Faculty of Chemistry and Chemical Technology of MSU
Project manager

Dr. habilitate, assoc. prof. Igor Povar

Team:
Acad., dr. hab., prof. Tudor LUPASCU Acad., dr. hab., prof. Gheorghe DUCA Dr. SPATARU Petru Dr. GLADCHI Viorica
Dr. hab. CIOBANU Mihail Dr. GORINCIOI Natalia   Dr. SPATARU Tudor Dr. hab., prof.GONTA Maria
Dr. NASTAS Raisa  Dr. hab. COVALIOVA Olga   Dr. SHEPELI Diana Dr. BORODAEV Ruslan
Dr. TIMBALIUC Nina Dr. BALAN Iolanta SPINU Oxana Dr. BUNDUCHI Elena
Dr. PETUHOV Oleg Dr. ANGHEL (CAZACU) Lilia PINTILIE Boris Dr. BLONSCHI Vladislav
Dr. CEBAN Irina Dr. GORBACIOV Mihai Dr. BOGDEVICI Oleg Dr. LIS Angela
BOLDURESCU Nina Dr. ROMANCIUC Lidia GRIGORAS Marina Dr. MATVEEVICI Vera
Dr. hab. GUTANU Vasile Dr. VICOL Crina Dr. CULIGHIN Elena Dr. MOCANU Larisa
Dr. BOTNARU Maria   Dr. NICOLAU Elena Dr. MEREUTA  Aliona
MITINA Tatiana   RUSU Maria Dr. CULEA Maria
BONDARENCO Nadejda   VISNEVSCHI Alexandru  
GRIGORAS Diana   CLIMOVA Ecaterina  
Dr. GOREACIOC Tatiana      
Abstract

The subprogram addresses innovative research in computational chemistry and ecology, as well as water purification technologies, with a particular focus on antioxidant ionic liquids, promising anti-pollutant compounds. The project explores the effects of antioxidant and biologically active substances on natural and wastewater processes, focusing on oxidation and fermentation, with a special focus on the Nistru River basin.

Synthesis and characterization of carbon composites from indigenous renewable sources and cross-linked polymers are key elements. Carbon composites with improved catalytic and adsorption properties will be identified and synthesized, their effectiveness in removing pollutants from natural waters and making them potable will be validated, as well as the development of innovative technologies for water treatment, contributing significantly to solving problems related to water quality and protecting the environment, with a positive impact on society and various industries.

The project investigates the quality and quantity of natural waters and the complex physico-chemical processes in technological waters, contributing to the sustainable management of aquatic resources in the Republic of Moldova. The subprogram focuses on the research of purification processes in biological stations, analyzing biogenic species according to chemical composition and other physicochemical parameters. Thermodynamic and physicochemical analysis of the complex chemical processes responsible for the reduction of toxic species in aquatic systems is essential. The models will identify areas of water scarcity, providing recommendations for sustainable management of water resources. The analysis of the transformations of nitrogen, phosphorus and carbon species in the wastewater treatment process will contribute to the development of advanced treatment technologies. It is also proposed to carry out a technical inventory and evaluate the operating conditions of the biological treatment plants in the central area of the Republic of Moldova, with an emphasis on the chemical composition of the wastewater and its impact on the aquatic environment.

Results, activities

Summary of the activity and results obtained in 2024

In the current research, 12 carbon composite samples were produced, 6 of which were impregnated with metal salts and activated in a fluidized bed, tested for metal ion retention stability and catalytic studies regarding hydrogen peroxide decomposition. The composites impregnated with MnCl2 and activated at 1000°C showed the best results in metal ion adsorption. The composites obtained from walnut shells demonstrated a favorable cost-efficiency ratio for water treatment applications. The optimization of the impregnation and activation process was proposed to improve the performance of the catalytic materials.
In collaboration with local authorities and S.A. Apa-Canal Hancesti, water purification technologies were developed to improve water quality. Another significant study was conducted on the isotopic composition of surface and groundwater to assess water resource formation in the context of climate change. The results showed significant variability of isotopes in the Prut River, with rivers being supplied by groundwater during dry periods. Chemical analyses revealed non-compliance with national water quality standards.
Advanced technologies were proposed to improve the processes of nitrification and denitrification, using IFAS (Integrated Fixed-film Activated Sludge) and biofilters with a biological film. The results demonstrated significant success in nitrogen removal and water quality improvement, especially at low temperatures. At the same time, processes of struvite precipitation and other forms of phosphate were studied, with pH optimization and the addition of Mg2+ and NH4+ identified as essential factors for efficient phosphorus recovery.
The thermodynamic model developed for improving wastewater treatment processes demonstrated remarkable efficiency in nitrogen and phosphorus removal and recovery, as well as improved nitrification and denitrification. Experimental results confirmed the efficiency of ammonia and phosphorus recovery and struvite crystal formation. Thermodynamic modeling clarified the crystallization mechanisms of struvite, correlated with precipitation and prevailing conditions.
The structure of the L-carnitine molecule was optimized, demonstrating its importance in the metabolism of mammals, plants, and bacteria. The effects of antioxidants such as ascorbic acid and gallic acid, which stabilize free radicals and prevent cellular damage, were also analyzed. Photolysis studies confirmed the stability of vitamin B12 in natural waters, promoting the conversion of cyanocobalamin to hydroxocobalamin. Studies on vitamin B6 pollution showed its negative impact on the self-purification capacity of water bodies. Additionally, optimal catalysts for polyphenol oxidation were identified, and the oxidation of gallic acid demonstrated a significant reduction in COD and substrate concentration.
Research on the extraction of active ingredients from natural sources revealed the ideal conditions for obtaining propolis extracts with high antioxidant activity. DDD (double dielectric discharge) technology showed promising prospects for treating natural and industrial waters.
Research on the antioxidant activity of compounds from grapes and wine highlighted the influence of the reaction environment, offering valuable perspectives for environmental protection and pharmaceutical applications.

Summary of the activity and results obtained in 2025

Research activities focused on the catalytic and adsorption efficiency of functionalized carbonaceous and polymer-based composites for pollutant removal from aqueous media, alongside the chemical characterization of natural waters from different country regions. Synthesized carbon-based and cross-linked polymer composites doped with Fe, Mn, Co and Cr ions proved enhanced adsorption capacity and catalytic performance in advanced oxidation processes, as well as in the removal of organic dyes and metal ions. Experimental results revealed the decisive influence of key physicochemical parameters (pH, temperature, concentration and contact time) on material performance. The assessment of natural water quality identified exceedances of regulatory limits for several parameters, emphasizing the need for efficient and locally adapted water treatment technologies.
The parameters of regression equations for stable water isotopes (δ18O and δ²H) in precipitation, rivers, lakes and groundwater were established, allowing the definition of the Local Evaporation Line and improved modelling of water balance processes. The similarity between isotopic ratios in surface waters (Prut and Dniester rivers) and groundwater from the aeration zone confirms a strong hydraulic connection between these systems, supporting the use of isotopic tools in sustainable water resource management.
All functional treatment facilities within the investigated regions were identified, and detailed evaluations of wastewater flows and pollutant loads were conducted. The analysis revealed profound infrastructural limitations: although 272 wastewater treatment plants are officially registered in the country, only a small fraction operates according to design specifications.
All functional wastewater treatment facilities in the investigated regions were identified and evaluated in terms of flow rates and pollutant loads. The analysis revealed major infrastructural deficiencies, showing that although over 270 wastewater treatment plants are officially registered, only a limited number operate according to design specifications. At the Chisinau WWTP, FeCl3 solutions were tested for hydrogen sulfide and odor control, and optimal dosages were established for both warm and cold periods. The formation of iron sulfide precipitates in sludge was confirmed, leading to a substantial reduction of odor emissions.
Thermodynamic modelling of heterogeneous systems containing Mg2+, NH4+, Ca2+ and PO43- ions enabled the prediction of favorable conditions for struvite (MgNH4PO4·6H2O) precipitation, supporting nutrient recovery strategies.
Integrated computational and experimental studies on antioxidant ionic liquids based on L-carnitine and food acids revealed clear correlations between antioxidant activity and electronic properties. Redox transformations of vitamins B2, B₆, B₉ and B₁₂, seasonal surveys of major water bodies, and anaerobic fermentation of agro-biomass with bioactive antioxidants were also investigated. Binary mixtures of antioxidants displayed synergistic, additive or antagonistic effects, generating results relevant for water treatment, environmental protection and biochemical process optimization.

Publications

Monograph

  1. GOREACIOC, T., NASTAS, R., LUPAȘCU, T. Tratarea apelor naturale de ioni de nitrit. Chișinău: Tipografia Print-Caro, 2025, 112 p.
     

Chapter in international monograph

 

  1. CEBAN, I., NASTAS, R. Adsorption of Nitrite Ions Using Activated Carbons Derived from Walnut Shells. In book: Chemical and Materials Sciences: Research Findings Vol. 3, Chapter 3, Publisher: BI International, 6 May 2025, pp. 39-73. https://doi.org/10.9734/bpi/cmsrf/v3/5161
  2. NASTAS, R., CEBAN, I., LUPASCU, T. Plant-Based Activated Carbons for Cobalt and Strontium Removal: Insights into Adsorption Mechanisms. In book: Chemical and Materials Sciences: Research Findings Vol. 2, Publisher: BI International, 7 April 2025, pp. 142-191. https://doi.org/10.9734/bpi/cmsrf/v2/5160
  3. PETUHOV,  O.,  LUPAȘCU, T., Vlase, T.,  BRADU, I.-A.,  BEHUNOVA, D.  Bactericidal Properties of Microwave Activated Carbons Enhanced with Enoxil and Silver/Selenium Nanoparticles. In: Recent Developments in Chemistry and Biochemistry Research, 2024, Vol. 7, Chapter 8, pp. 126-149. https://doi.org/10.9734/bpi/rdcbr/v7/2762.  https://stm.bookpi.org/RDCBR-V7/issue/view/1675


Articles in Web of Science and Scopus journals

  1. CEBAN, G., NASTAS, R. Walnut Shells Activated Carbons for Adsorption of Nitrite Ions. Acta chimica Slovenica. 2025, 72, pp. 24-33. ISSN 1318-0207. https://doi.org/10.17344/acsi.2024.8693 (IF 1.3)(Q3 - https://wos-journal.info/journalid/20634)
  2. CISTEACOV, M., DUCA, G., BLONSCHI, V., GLADCHI, V., LIS, A., BUNDUCHI, E. Dynamics of the self-purification processes in the waters of the Dniester River during the years 2015-2024 (Dubasari – Vadul lui Voda section). In: Chemistry Journal of Moldova. 2025, 20(1), pp. 17-27. ISSN 1857-1727. https://doi.org/10.19261/cjm.2025.1318 (IF 0.5) (Q4 - https://wos-journal.info/journalid/8922)
  3. CORD, D., RIMBU, M. C., TANASE, C., TABLET, C., DUCA, Gh. Molecular Docking Study of Some Active Principles from Silybum Marianum, Chelidonium Majus, Ginkgo Biloba, Gelsemium Sempervirens, Artemisia Annua, and Taraxacum Officinale. In: Chemistry Journal of Moldova, 2025, 20(1), pp. 100-105. ISSN 1857-1727. https://doi.org/10.19261/cjm.2025.1337 (IF 0.5) (Q4 - https://wos-journal.info/journalid/8922)
  4. GLADCHI, V., DUCA, Gh., BLONSCHI, V., CISTEACOV, M., LIS, A. The role of vitamin B6 in the chemical self-purification processes of aquatic systems. In: Studia Universitatis Babes-Bolyai Chemia. 2025, 70, pp. 141-154. ISSN 1224-7154. https://doi.org/10.24193/subbchem.2025.3.10 (IF 0.5) (Q4 - https://wos-journal.info/journalid/2109)
  5. GORINCIOI, E., VICOL, C., BOLOCAN, N., CIMPOIU, C., BARBA, A., NICA, S., DUCA, Gh. Harnessing Synergy: Investigation of the Antioxidant Interactions between trans-Resveratrol and L-Ascorbic Acid by Spectroscopic and DFT Methods. In: Acta Chimica Slovenica. 2025, 72(4), pp. 654–665. ISSN 1318-0207. https://doi.org/10.17344/acsi.2025.9292 (IF 1.3) (Q3 - https://wos-journal.info/journalid/20634)
  6. GUTSANU, V., IPATE, A. M., LISA, G., & BOTNARU, M. Chrome–Polymer Composite as a Precursor for Obtaining a Sorbent with Selective Properties. Colloid Journal. 2025, 87(3), pp. 408-422. https://doi.org/10.1134/S1061933X25600447 (IF 1.1) (Q4 - https://wos-journal.info/journalid/695)
  7. POVAR, I., SPINU, O., VISNEVSCHI, A. Quantifying the Buffering Action of Soil Minerals as Natural Defenders. In: Earth Systems and Environment. 2025, 9, pp. 919-934. https://doi.org/10.1007/s41748-024-00494-x (IF 4.7) (Q1 - https://wos-journal.info/journalid/8685)
  8. VIȘNEVSCHI A., POVAR I. New biological treatment method of domestic wastewater with simultaneous nitrification and denitrification based on detached biofilm. In: Applied Water Science. 2025, 15, 69. https://doi.org/10.1007/s13201-025-02408-2. (IF 5.7) (Q1- https://wos-journal.info/journalid/11521)
  9. GORINCHOY, N., BALAN, I., POLINGER, V., BERSUKER, I.B. Inversion isomerism induced by the Pseudo Jahn-Teller Effect in X2CE molecules (X = H, F; E = O, S, Se) in their reduced and excited states. In: Journal of Physics, Conference Series, 2024, 2769, 012005, pp. 1-10. DOI: https://doi.org/10.1088/1742-6596/2769/1/012005  https://countryofpapers.com/journal/journal-of-physics-conference-series https://www.scimagojr.com/journalsearch.php?q=130053&tip=sid. (IF: 0,5)
  10. LIS, A.; GLADCHI, V.; DUKA, Gh.; TRAVIN, S. Indirect photolysis of cysteine and thiourea in the presence of metal ions in the aquatic environment. In: Inorganica Chimica Acta, 2024, vol. 560, ISSN 0020-1693. DOI: https://doi.org/10.1016/j.ica.2023.121832. (https://www.scimagojr.com/journalsearch.php?q=25270&tip=sid&clean=0. IF: 2,8)
  11. PETUHOV, O., TIMBALIUC, N., CEBAN (GINSARI), I., CIBOTARU, S., LUPASCU, T., NASTAS, R. Comparative study of the local vegetable activated carbon with commercial ones for adsorption of methylene blue. In: Chemistry Journal of Moldova, pp. 93-101, 19(1), 2024, https://doi.org/10.19261/cjm.2024.0897. (Categoria A)
  12. POVAR, I., SPÎNU, O., VIȘNEVSCHI A. Quantitative Theory of the Buffering Action of Soil Minerals in Environmental Systems. In: Earth Systems and Environment. 2024. https://doi.org/10.1007/s41748-024-00494-x (Q1 - https://wos-journal.info/journalid/8685) (IF 5.3)


Articles in international journals

  1. DUCA, Gh. Criza Inteligentei Artificiale - Provocari globale si perspectivele asupra stiintei, technologiei si chimiei. In: Academica. 2025, 6-7, pp. 416-417. https://acad.ro/institutia/ACADEMICA/2025/nr06_07/06_07_art13.pdf
  2. GOREACIOC, T., NASTAS, R., LUPASCU, T. Removal of nitrite ions from water by adsorption on chemically activated carbon. In: Romanian Journal of Ecology & Environmental Chemistry 2025, 7, no.2, pp. 68÷76. https://doi.org/10.21698/rjeec.2025.207
  3. DUCA, Gh., SOLDATENCO, O., TARAN, N. The Study of the Influence of Non-Saccharomyces Yeast Strains on the Must Fermentation Process. In: Bulletin of the Transilvania University of Brasov. Series II: Forestry-Wood Industry-Agricultural Food Engineering. 2024, 17(66), pp. 141-152. https://doi.org/10.31926/but.fwiafe.2024.17.66.1.8. https://webbut.unitbv.ro/index.php/Series_II/article/view/7895/5931
  4. POVAR, I., SPINU, O., CRETESCU, I. Modeling of physico-chemical processes based on mass balance and generalized equations for multicomponent two-phase aquatic ecosystems. In: Ecology & Safety. 2024, vol. 18, pp. 1-11. ISSN 1314-7234 https://doi.org/10.62991/ES1996519052. https://www.scientific-publications.net/get/1000067/1731936603695992.pdf.
  5. VISNEVSCHI, A. Evaluation of Technological Solutions to Enhance the Operational Efficiency of the WWTP “Apa-Canal” Magdacesti Municipal Enterprise. In: Journal of Water Chemistry and Technology. 2024, vol. 46, pp. 42–50. https://doi.org/10.3103/S1063455X24010090 (IF: 0.6)
     

Articles in national journals

  1. BLONSCHI, V., CISTEACOV, M., GLADCHI, V., BUNDUCHI, E., LIS, A. Transformări chimice ale vitaminei B2 în sistemele acvatice. In: Revista de Ştiinţă, Inovare, Cultură şi Artă „Akademos”. 2025, 3(78), pp. 61-65. ISSN 1857-0461. https://doi.org/10.52673/18570461.25.3-78.07
  2. POVAR, I., VIȘNEVSCHI, A., SPÎNU, O., SPĂTARU, P. Evaluarea și optimizarea sistemelor de epurare a apelor uzate prin crearea în premieră în Republica Moldova a departamentului de expertiză și audit tehnologic. In: Revista de Ştiinţă, Inovare, Cultură şi Artă „Akademos”. 2024, 4(75), pp. 43-55. ISSN 1857-0461. https://doi.org/10.52673/18570461.24.4-75.04 
  3. DUCA, Gh., SANDU, M., GLADCHI, V., LIS, A., BLONSCHI, V. Capacitatea de autopurificare biologică a apelor naturale și uzate prin evaluarea raportului dintre poluanții biodegradabili și cei toxici. In: Studia Universitatis Moldaviaie. Seria “Științe reale și ale naturii”. 2024, 1(171), pp. 218-229. https://doi.org/10.59295/sum1(171)2024_26. https://ojs.studiamsu.md/index.php/stiinte_reale_naturii/article/view/6189
  4. ЧИСТЯКОВ, M., БЛОНСКИ, B., ГЛАДКИ, B. Влияние витамина В12 на химические процессы самоочищения водных систем. In: Studia Universitatis Moldaviae Seria Științe Reale și ale Naturii. 2024, 1(171), pp. 230-238. https://doi.org/10.59295/sum1(171)2024_27. https://ojs.studiamsu.md/index.php/stiinte_reale_naturii/article/view/6190


Patents

  1. BLONSCHI, V., GLADCHI, V., BUNDUCHI, E., CISTEACOV, M., LIS, A., DUCA, G. Procedeu de evaluare a gradului de poluare a apelor de suprafaţă. Nr. depozit: s 2025 0047, Hotărâre nr. 11893 din 2025.09.19. https://agepi.gov.md/sites/default/files/bopi/BOPI_11_2025.pdf
  2. GUȚANU, V., BOTNARU, M. Procedeu de modificare cu compuși de Cr(III) a polimerilor ionogeni reticulați ce conțin grupe R4N+. Cerere de brevet de invenție. Nr. Depozit: s 2025. 001
  3. VISNEVSCHI, A. Procedeu și instalație de epurare biologică a apelor uzate menajere cu nitrificare și denitrificare simultană. Brevet MD 1807 Z 2025.07.31. Nr. depozit: s 2024 0055; Data depozit: 2024.06.04. https://db.agepi.md//inventions/Details.aspx?id=s%202024%200055
  4. SPATARU, P., VISNEVSCHI, A., SPINU, O., SPATARU, T., POVAR, I. Procedeu de tratare a nămolului activ provenit în urma epurării apelor reziduale. Brevet de invenție MD 1725 din 2024.06.30. http://db.agepi.md/inventions/Details.aspx?id=s%202022%200101