2022<\/h3>\n\n- K. Maleckait\u0117, D. Narkevi\u010dius, R. \u017dil\u0117nait\u0117, J. Dodonova-Vaitk\u016bnien\u0117, S. Toliautas<\/span>, S. Tumkevi\u010dius, and A. Vy\u0161niauskas, “Give or Take: Effects of Electron-Accepting\/-Withdrawing Groups in Red-Fluorescent BODIPY Molecular Rotors,” Molecules<\/span>, 27(1), p. 23 (1-14), 2022. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Maleckaite2022-MDPIMOL,\ntitle = {{Give or Take: Effects of Electron-Accepting\/-Withdrawing Groups\nin Red-Fluorescent BODIPY Molecular Rotors}},\njournal = {{Molecules}},\nyear = {2022},\nvolume = {27},\nnumber = {1},\npages = {23 (1-14)},\nmonth = {JAN 1},\ndoi = {10.3390\/molecules27010023},\nauthor = {Karolina Maleckait\u0117 and Domantas Narkevi\u010dius\nand Rugil\u0117 \u017dil\u0117nait\u0117 and Jelena Dodonova-Vaitk\u016bnien\u0117\nand Stepas Toliautas and Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2021<\/h3>\n\n- K. Maleckait\u0117, J. Dodonova, S. Toliautas<\/span>, R. \u017dil\u0117nait\u0117, D. Jurgutis, V. Karabanovas, S. Tumkevi\u010dius, and A. Vy\u0161niauskas, “Designing a Red-Emitting Viscosity-Sensitive BODIPY Fluorophore for Intracellular Viscosity Imaging,” Chemistry – A European Journal<\/span>, 27(67), 16768-16775, 2021. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Maleckaite2021-CHEMEUR,\ntitle = {{Designing a Red-Emitting Viscosity-Sensitive BODIPY Fluorophore\nfor Intracellular Viscosity Imaging}},\njournal = {{Chemistry - A European Journal}},\nyear = {2021},\nvolume = {27},\nnumber = {67},\npages = {16768-16775},\nmonth = {SEP 22},\ndoi = {10.1002\/chem.202102743},\nauthor = {Karolina Maleckait\u0117 and Jelena Dodonova and Stepas Toliautas\nand Rugil\u0117 \u017dil\u0117nait\u0117 and D\u017eiugas Jurgutis and Vitalijus Karabanovas\nand Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2020<\/h3>\n\n- A. Polita, S. Toliautas<\/span>, R. \u017dvirblis, and A. Vy\u0161niauskas, “The effect of solvent polarity and macromolecular crowding on the viscosity sensitivity of a molecular rotor BODIPY-C10,” Physical Chemistry Chemical Physics<\/span>, 22(16), 8296-8303, 2020. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Polita2020-PCCP22,\ntitle = {{The effect of solvent polarity and macromolecular crowding\non the viscosity sensitivity of a molecular rotor BODIPY-C10}},\njournal = {{Physical Chemistry Chemical Physics}},\nyear = {2020},\nvolume = {22},\nnumber = {16},\npages = {8296-8303},\nmonth = {FEB 20},\ndoi = {10.1039\/C9CP06865A},\nauthor = {Arturas Polita and Stepas Toliautas\nand Rokas \u017dvirblis and Aurimas Vy\u0161niauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2019<\/h3>\n\n- S. Toliautas<\/span>, J. Dodonova, A. \u017dvirblis, I. \u010ciplys, A. Polita, A. Devi\u017eis, S. Tumkevi\u010dius, J. \u0160ulskus, and A. Vy\u0161niauskas, “Enhancing the viscosity-sensitive range of a BODIPY molecular rotor by two orders of magnitude,” Chemistry – A European Journal<\/span>, 25(44), 10342-10349, 2019. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Toliautas2019-CHEMEUR,\ntitle = {{Enhancing the viscosity-sensitive range\nof a BODIPY molecular rotor by two orders of magnitude}},\njournal = {{Chemistry - A European Journal}},\nyear = {2019},\nvolume = {25},\nnumber = {44},\npages = {10342-10349},\nmonth = {APR 18},\ndoi = {10.1002\/chem.201901315},\nauthor = {Stepas Toliautas and Jelena Dodonova and Audrius \u017dvirblis\nand Ignas \u010ciplys and Art\u016bras Polita and Andrius Devi\u017eis\nand Sigitas Tumkevi\u010dius and Juozas \u0160ulskus and Aurimas Vy\u0161niauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2018<\/h3>\n\n- Y. A. Dyakov, S. Toliautas<\/span>, L. I. Trakhtenberg, and L. Valkunas, “Excited state photodissociation dynamics of 2-, 3-, 4-hydroxyacetophenone: theoretical study,” Chemical Physics<\/span>, 515, 672-678, 2018. [DOI<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@article{Dyakov2018-CP515,\ntitle = {{Excited state photodissociation dynamics\nof 2-, 3-, 4-hydroxyacetophenone: theoretical study}},\njournal = {{Chemical Physics}},\nyear = {2018},\nvolume = {515},\npages = {672-678},\nmonth = {NOV 14},\ndoi = {10.1016\/j.chemphys.2018.07.020},\nauthor = {Yuri A. Dyakov and Stepas Toliautas\nand Leonid I. Trakhtenberg and Leonas Valkunas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2016<\/h3>\n\n- K. Redeckas, S. Toliautas<\/span>, R. Steponaviciute, A. Sackus, J. Sulskus, and M. Vengris, “A femtosecond stimulated Raman spectroscopic study on the oxazine ring opening dynamics of structurally-modified indolobenzoxazines,” Chemical Physics Letters<\/span>, 653, 67-72, 2016. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Redeckas2016-CPL653,\nAuthor = {Redeckas, Kipras and Toliautas, Stepas and Steponaviciute, Rasa\nand Sackus, Algirdas and Sulskus, Juozas and Vengris, Mikas},\nTitle = {{A femtosecond stimulated Raman spectroscopic study\non the oxazine ring opening dynamics\nof structurally-modified indolobenzoxazines}},\nJournal = {{Chemical Physics Letters}},\nYear = {2016},\nVolume = {653},\nPages = {67-72},\nMonth = {JUN 1},\nDOI = {10.1016\/j.cplett.2016.04.030},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2014<\/h3>\n\n- A. Kadashchuk, Y. Skryshevski, A. Vakhnin, S. Toliautas<\/span>, J. Sulskus, R. Augulis, V. Gulbinas, S. Nespurek, J. Genoe, and L. Valkunas, “Highly efficient intrinsic phosphorescence from a sigma-conjugated poly(silylene) polymer,” Journal Of Physical Chemistry C<\/span>, 118(40), 22923-22934, 2014. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Kadashchuk2014-JPCC118,\nAuthor = {Kadashchuk, Andrey and Skryshevski, Yuri and Vakhnin, Alexandr\nand Toliautas, Stepas and Sulskus, Juozas\nand Augulis, Ramunas and Gulbinas, Vidmantas\nand Nespurek, Stanislav and Genoe, Jan and Valkunas, Leonas},\nTitle = {{Highly efficient intrinsic phosphorescence\nfrom a sigma-conjugated poly(silylene) polymer}},\nJournal = {{Journal Of Physical Chemistry C}},\nYear = {2014},\nVolume = {118},\nNumber = {40},\nPages = {22923-22934},\nMonth = {OCT 9},\nDOI = {10.1021\/jp506959m},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- S. Toliautas<\/span>, M. Macernis, J. Sulskus, and L. Valkunas, “Solvent effect on the photo-induced proton transfer in 2-(N-methyl-alpha-iminoethyl)-phenol,” Chemical Physics Letters<\/span>, 591, 52-57, 2014. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Toliautas2014-CPL591,\nAuthor = {Toliautas, Stepas and Macernis, Mindaugas\nand Sulskus, Juozas and Valkunas, Leonas},\nTitle = {{Solvent effect on the photo-induced proton transfer\nin 2-(N-methyl-alpha-iminoethyl)-phenol}},\nJournal = {{Chemical Physics Letters}},\nYear = {2014},\nVolume = {591},\nPages = {52-57},\nMonth = {JAN 20},\nDOI = {10.1016\/j.cplett.2013.10.084},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2012<\/h3>\n\n- S. Toliautas<\/span>, J. Sulskus, L. Valkunas, and M. Vengris, “Quantum chemical studies of photochromic properties of benzoxazine compound,” Chemical Physics<\/span>, 404, 64-73, 2012. [DOI<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@article{Toliautas2012-CP404,\nAuthor = {Toliautas, Stepas and Sulskus, Juozas\nand Valkunas, Leonas and Vengris, Mikas},\nTitle = {{Quantum chemical studies of photochromic properties\nof benzoxazine compound}},\nJournal = {{Chemical Physics}},\nYear = {2012},\nVolume = {404},\nPages = {64-73},\nMonth = {AUG 24},\nDOI = {10.1016\/j.chemphys.2012.03.006},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n<\/div>\n <\/p>\n
Cover features<\/h3>\n
![\"CP404](\"http:\/\/web.vu.lt\/ff\/s.toliautas\/wp-content\/uploads\/2019\/05\/CP404-small-223x300.png\")
![\"ChemEurJ25-44](\"http:\/\/web.vu.lt\/ff\/s.toliautas\/wp-content\/uploads\/2019\/12\/ChemEurJ25-44-226x300.jpg\")
![\"PCCP22-16](\"http:\/\/web.vu.lt\/ff\/s.toliautas\/wp-content\/uploads\/2020\/04\/PCCP22-16-229x300.png\")
<\/p>\n
\n- Broad-audience introduction into the research of fluorescent viscosity sensors:
\nBy the rhythm of science<\/a> (Lrytas.tv \/ Delfi.tv, 2020-02-22, in Lithuanian)<\/li>\n<\/ul>\n <\/p>\n
Conference presentations<\/h3>\n
Most of the presented research has been published in articles (above) and\/ or used in academic theses (below). Findings that haven’t been finalized due to participant attrition are highlighted <\/span> and open to inquiries.<\/p>\nExpand<\/span>Collapse<\/span>\n2022<\/h3>\n\n- S. Toliautas<\/span>, “Scaling the hardware zoo: user-side timings of common quantum chemistry routines,” in EuroCC workshop and training on using HPC: abstract book<\/span>, Vilnius, 2022. [LT\/EN<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-NCCWS,\nAuthor = {Stepas Toliautas},\nTitle = {{Scaling the hardware zoo: user-side timings of common quantum chemistry routines}},\nBooktitle = {{EuroCC workshop and training on using HPC: abstract book}},\nYear = {2022},\nMonth = {DEC 16},\nPublisher = {{Vilnius University}},\nAddress = {Vilnius},\nNote = {LT\/EN},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- D. Palinauskas and S. Toliautas<\/span>, “Substitution at BODIPY fragment effects on excited state potential energy surface,” in EuroCC workshop and training on using HPC: abstract book<\/span>, Vilnius, 2022.<\/font> [LT\/EN<\/b><\/a>]
\n\n@inproceedings{Palinauskas-NCCWS,\nAuthor = {Delianas Palinauskas and Stepas Toliautas},\nTitle = {{Substitution at BODIPY fragment effects on excited state potential energy surface}},\nBooktitle = {{EuroCC workshop and training on using HPC: abstract book}},\nYear = {2022},\nMonth = {DEC 16},\nPublisher = {{Vilnius University}},\nAddress = {Vilnius},\nNote = {LT\/EN},\nPresenter = {Delianas Palinauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- S. Toliautas<\/span>, A. Polita, K. Maleckait\u0117, and A. Vy\u0161niauskas, “Tracking photoexcitation to sense environment: design of BODIPY-based molecular rotors,” in Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book<\/span>, Vilnius, 2022. [EN<\/b><\/a>]
\n\n@inproceedings{Toliautas-EDS2022,\nAuthor = {Stepas Toliautas and Art\u016bras Polita and Karolina Maleckait\u0117 and Aurimas Vy\u0161niauskas},\nTitle = {{Tracking photoexcitation to sense environment: design of BODIPY-based molecular rotors}},\nBooktitle = {{Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book}},\nYear = {2022},\nMonth = {AUG 24},\nPublisher = {{Center for Physical Sciences and Technology}},\nAddress = {Vilnius},\nNote = {EN},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- K. Maleckait\u0117, J. Dodonova-Vaitk\u016bnien\u0117, S. Toliautas<\/span>, D. Jurgutis, R. \u017dil\u0117nait\u0117, V. Karabanovas, S. Tumkevi\u010dius, and A. Vy\u0161niauskas, “Red fluorescent BODIPY molecular rotors for lifetime-based sensing of microviscosity,” in Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book<\/span>, Vilnius, 2022.<\/font> [EN<\/b><\/a>]
\n\n@inproceedings{Maleckaite-EDS2022,\nAuthor = {Karolina Maleckait\u0117 and Jelena Dodonova-Vaitk\u016bnien\u0117 and Stepas Toliautas\nand D\u017eiugas Jurgutis and Rugil\u0117 \u017dil\u0117nait\u0117 and Vitalijus Karabanovas\nand Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\nTitle = {{Red fluorescent BODIPY molecular rotors for lifetime-based sensing of microviscosity}},\nBooktitle = {{Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book}},\nYear = {2022},\nMonth = {AUG 24},\nPublisher = {{Center for Physical Sciences and Technology}},\nAddress = {Vilnius},\nNote = {EN},\nPresenter = {Karolina Maleckait\u0117},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- S. Toliautas<\/span>, D. Palinauskas, and A. Vy\u0161niauskas, “Role of symmetry in environment-sensing mechanism of BODIPY-based molecular dyes,” in 14th European conference on Atoms molecules and photons: abstract book<\/span>, Vilnius, 2022. [EN<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-ECAMP14,\nAuthor = {Stepas Toliautas and Delianas Palinauskas and Aurimas Vy\u0161niauskas},\nTitle = {{Role of symmetry in environment-sensing mechanism of BODIPY-based molecular dyes}},\nBooktitle = {{14th European conference on Atoms molecules and photons: abstract book}},\nYear = {2022},\nMonth = {JUN 27},\nPublisher = {{European Physical Society}},\nAddress = {Vilnius},\nNote = {EN},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- K. Maleckait\u0117, J. Dodonova, S. Toliautas<\/span>, R. \u017dil\u0117nait\u0117, D. Jurgutis, V. Karabanovas, S. Tumkevi\u010dius, and A. Vy\u0161niauskas, “Red-fluorescent BODIPY microviscosity sensor for intracellular imaging,” in 7th international conference on Bio-sensing technology: abstract list<\/span>, Sitges, 2022.<\/font> [EN<\/b>]
\n\n@inproceedings{Maleckaite-BioSensors7,\nAuthor = {Karolina Maleckait\u0117 and Jelena Dodonova and Stepas Toliautas\nand Rugil\u0117 \u017dil\u0117nait\u0117 and D\u017eiugas Jurgutis and Vitalijus Karabanovas\nand Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\nTitle = {{Red-fluorescent BODIPY microviscosity sensor for intracellular imaging}},\nBooktitle = {{7th international conference on Bio-sensing technology: abstract list}},\nYear = {2022},\nMonth = {MAY 22},\nPublisher = {{Oxford Abstracts}},\nAddress = {Sitges},\nNote = {EN},\nPresenter = {Karolina Maleckait\u0117},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2021<\/h3>\n\n- K. Maleckait\u0117, J. Dodonova, S. Toliautas<\/span>, R. \u017dil\u0117nait\u0117, D. Jurgutis, V. Karabanovas, S. Tumkevi\u010dius, and A. Vy\u0161niauskas, “Raudonai fluorescuojantis klampai jautrus BODIPY fluoroforas,” in 44-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga<\/span>, Vilnius, 2021.<\/font> [LT<\/b><\/a>]
\n\n@inproceedings{Maleckaite-LNFK44,\nAuthor = {Karolina Maleckait\u0117 and Jelena Dodonova and Stepas Toliautas\nand Rugil\u0117 \u017dil\u0117nait\u0117 and D\u017eiugas Jurgutis and Vitalijus Karabanovas\nand Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\nTitle = {{Raudonai fluorescuojantis klampai jautrus BODIPY fluoroforas}},\nBooktitle = {{44-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga}},\nYear = {2021},\nMonth = {OCT 6},\nPublisher = {{Lietuvos fizik\u0173 draugija}},\nAddress = {Vilnius},\nNote = {LT},\nPresenter = {Karolina Maleckait\u0117},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- D. Palinauskas and S. Toliautas<\/span>, “8-vinil-BODIPY molekul\u0117s darini\u0173 modeliavimas tankio funkcionalo metodais,” in 44-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga<\/span>, Vilnius, 2021.<\/font> [LT<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Palinauskas-LNFK44,\nAuthor = {Delianas Palinauskas and Stepas Toliautas},\nTitle = {{8-vinil-BODIPY molekul\u0117s darini\u0173 modeliavimas tankio funkcionalo metodais}},\nBooktitle = {{44-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga}},\nYear = {2021},\nMonth = {OCT 6},\nPublisher = {{Lietuvos fizik\u0173 draugija}},\nAddress = {Vilnius},\nNote = {LT},\nPresenter = {Delianas Palinauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2019<\/h3>\n\n- S. Toliautas<\/span> and A. Vy\u0161niauskas, “Fotochemin\u0117s reakcijos kelio skai\u010diavimai molekul\u0117ms su sud\u0117tinga sukimo grupe,” in 43-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga<\/span>, Vilnius, 2019. [LT<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-LNFK43,\nAuthor = {Toliautas, Stepas and Vy\u0161niauskas, Aurimas},\nTitle = {{Fotochemin\u0117s reakcijos kelio skai\u010diavimai molekul\u0117ms su sud\u0117tinga sukimo grupe}},\nBooktitle = {{43-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga}},\nYear = {2019},\nMonth = {OCT 3},\nPublisher = {{Lietuvos fizik\u0173 draugija}},\nAddress = {Vilnius},\nNote = {LT},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2015<\/h3>\n\n- S. Toliautas<\/span>, S. Malickaja, J. Sulskus, M. Vengris, and L. Valkunas, “Spectral properties of spiro[chromene-2,2′-indole]-based photochromic molecules,” <\/font>in 16th international conference on Density functional theory and its applications: programme and abstracts<\/span>, Debrecen, 2015. [EN<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-DFT2015,\nAuthor = {Toliautas, Stepas and Malickaja, Svetlana and Sulskus, Juozas and Vengris, Mikas and Valkunas, Leonas},\nTitle = {{Spectral properties of spiro[chromene-2,2'-indole]-based photochromic molecules}},\nBooktitle = {{16th international conference on Density functional theory and its applications: programme and abstracts}},\nYear = {2015},\nMonth = {AUG 31},\nPublisher = {{University of Debrecen}},\nAddress = {Debrecen},\nNote = {EN},\nPerish = {2016},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- S. Toliautas<\/span>, S. Malickaja, J. \u0160ulskus, M. Vengris, and L. Valk\u016bnas, “Spiro[chromeno-2,2′-indolo] pagrindu kuriam\u0173 fotochromini\u0173 molekuli\u0173 spektrini\u0173 savybi\u0173 modeliavimas,” in 41-oji Lietuvos nacionalin\u0117 fizikos konferencija: programa ir prane\u0161im\u0173 tez\u0117s<\/span>, Vilnius, 2015. [LT<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-LNFK41,\nAuthor = {Toliautas, Stepas and Malickaja, Svetlana and \u0160ulskus, Juozas and Vengris, Mikas and Valk\u016bnas, Leonas},\nTitle = {{Spiro[chromeno-2,2'-indolo] pagrindu kuriam\u0173 fotochromini\u0173 molekuli\u0173 spektrini\u0173 savybi\u0173 modeliavimas}},\nBooktitle = {{41-oji Lietuvos nacionalin\u0117 fizikos konferencija: programa ir prane\u0161im\u0173 tez\u0117s}},\nYear = {2015},\nMonth = {JUN 17},\nPublisher = {{Lietuvos fizik\u0173 draugija}},\nAddress = {Vilnius},\nNote = {LT},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- E. Ba\u0161inskait\u0117, V. Butkus, S. Toliautas<\/span>, and D. Abramavi\u010dius, “Vibronin\u0117 s\u0105veika teoriniuose chlorofilo a spektruose,” <\/font>in 41-oji Lietuvos nacionalin\u0117 fizikos konferencija: programa ir prane\u0161im\u0173 tez\u0117s<\/span>, Vilnius, 2015.<\/font> [LT<\/b><\/a>]
\n\n
\n
@article{Maleckaite2022-MDPIMOL,\ntitle = {{Give or Take: Effects of Electron-Accepting\/-Withdrawing Groups\nin Red-Fluorescent BODIPY Molecular Rotors}},\njournal = {{Molecules}},\nyear = {2022},\nvolume = {27},\nnumber = {1},\npages = {23 (1-14)},\nmonth = {JAN 1},\ndoi = {10.3390\/molecules27010023},\nauthor = {Karolina Maleckait\u0117 and Domantas Narkevi\u010dius\nand Rugil\u0117 \u017dil\u0117nait\u0117 and Jelena Dodonova-Vaitk\u016bnien\u0117\nand Stepas Toliautas and Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2021<\/h3>\n\n- K. Maleckait\u0117, J. Dodonova, S. Toliautas<\/span>, R. \u017dil\u0117nait\u0117, D. Jurgutis, V. Karabanovas, S. Tumkevi\u010dius, and A. Vy\u0161niauskas, “Designing a Red-Emitting Viscosity-Sensitive BODIPY Fluorophore for Intracellular Viscosity Imaging,” Chemistry – A European Journal<\/span>, 27(67), 16768-16775, 2021. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Maleckaite2021-CHEMEUR,\ntitle = {{Designing a Red-Emitting Viscosity-Sensitive BODIPY Fluorophore\nfor Intracellular Viscosity Imaging}},\njournal = {{Chemistry - A European Journal}},\nyear = {2021},\nvolume = {27},\nnumber = {67},\npages = {16768-16775},\nmonth = {SEP 22},\ndoi = {10.1002\/chem.202102743},\nauthor = {Karolina Maleckait\u0117 and Jelena Dodonova and Stepas Toliautas\nand Rugil\u0117 \u017dil\u0117nait\u0117 and D\u017eiugas Jurgutis and Vitalijus Karabanovas\nand Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2020<\/h3>\n\n- A. Polita, S. Toliautas<\/span>, R. \u017dvirblis, and A. Vy\u0161niauskas, “The effect of solvent polarity and macromolecular crowding on the viscosity sensitivity of a molecular rotor BODIPY-C10,” Physical Chemistry Chemical Physics<\/span>, 22(16), 8296-8303, 2020. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Polita2020-PCCP22,\ntitle = {{The effect of solvent polarity and macromolecular crowding\non the viscosity sensitivity of a molecular rotor BODIPY-C10}},\njournal = {{Physical Chemistry Chemical Physics}},\nyear = {2020},\nvolume = {22},\nnumber = {16},\npages = {8296-8303},\nmonth = {FEB 20},\ndoi = {10.1039\/C9CP06865A},\nauthor = {Arturas Polita and Stepas Toliautas\nand Rokas \u017dvirblis and Aurimas Vy\u0161niauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2019<\/h3>\n\n- S. Toliautas<\/span>, J. Dodonova, A. \u017dvirblis, I. \u010ciplys, A. Polita, A. Devi\u017eis, S. Tumkevi\u010dius, J. \u0160ulskus, and A. Vy\u0161niauskas, “Enhancing the viscosity-sensitive range of a BODIPY molecular rotor by two orders of magnitude,” Chemistry – A European Journal<\/span>, 25(44), 10342-10349, 2019. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Toliautas2019-CHEMEUR,\ntitle = {{Enhancing the viscosity-sensitive range\nof a BODIPY molecular rotor by two orders of magnitude}},\njournal = {{Chemistry - A European Journal}},\nyear = {2019},\nvolume = {25},\nnumber = {44},\npages = {10342-10349},\nmonth = {APR 18},\ndoi = {10.1002\/chem.201901315},\nauthor = {Stepas Toliautas and Jelena Dodonova and Audrius \u017dvirblis\nand Ignas \u010ciplys and Art\u016bras Polita and Andrius Devi\u017eis\nand Sigitas Tumkevi\u010dius and Juozas \u0160ulskus and Aurimas Vy\u0161niauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2018<\/h3>\n\n- Y. A. Dyakov, S. Toliautas<\/span>, L. I. Trakhtenberg, and L. Valkunas, “Excited state photodissociation dynamics of 2-, 3-, 4-hydroxyacetophenone: theoretical study,” Chemical Physics<\/span>, 515, 672-678, 2018. [DOI<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@article{Dyakov2018-CP515,\ntitle = {{Excited state photodissociation dynamics\nof 2-, 3-, 4-hydroxyacetophenone: theoretical study}},\njournal = {{Chemical Physics}},\nyear = {2018},\nvolume = {515},\npages = {672-678},\nmonth = {NOV 14},\ndoi = {10.1016\/j.chemphys.2018.07.020},\nauthor = {Yuri A. Dyakov and Stepas Toliautas\nand Leonid I. Trakhtenberg and Leonas Valkunas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2016<\/h3>\n\n- K. Redeckas, S. Toliautas<\/span>, R. Steponaviciute, A. Sackus, J. Sulskus, and M. Vengris, “A femtosecond stimulated Raman spectroscopic study on the oxazine ring opening dynamics of structurally-modified indolobenzoxazines,” Chemical Physics Letters<\/span>, 653, 67-72, 2016. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Redeckas2016-CPL653,\nAuthor = {Redeckas, Kipras and Toliautas, Stepas and Steponaviciute, Rasa\nand Sackus, Algirdas and Sulskus, Juozas and Vengris, Mikas},\nTitle = {{A femtosecond stimulated Raman spectroscopic study\non the oxazine ring opening dynamics\nof structurally-modified indolobenzoxazines}},\nJournal = {{Chemical Physics Letters}},\nYear = {2016},\nVolume = {653},\nPages = {67-72},\nMonth = {JUN 1},\nDOI = {10.1016\/j.cplett.2016.04.030},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2014<\/h3>\n\n- A. Kadashchuk, Y. Skryshevski, A. Vakhnin, S. Toliautas<\/span>, J. Sulskus, R. Augulis, V. Gulbinas, S. Nespurek, J. Genoe, and L. Valkunas, “Highly efficient intrinsic phosphorescence from a sigma-conjugated poly(silylene) polymer,” Journal Of Physical Chemistry C<\/span>, 118(40), 22923-22934, 2014. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Kadashchuk2014-JPCC118,\nAuthor = {Kadashchuk, Andrey and Skryshevski, Yuri and Vakhnin, Alexandr\nand Toliautas, Stepas and Sulskus, Juozas\nand Augulis, Ramunas and Gulbinas, Vidmantas\nand Nespurek, Stanislav and Genoe, Jan and Valkunas, Leonas},\nTitle = {{Highly efficient intrinsic phosphorescence\nfrom a sigma-conjugated poly(silylene) polymer}},\nJournal = {{Journal Of Physical Chemistry C}},\nYear = {2014},\nVolume = {118},\nNumber = {40},\nPages = {22923-22934},\nMonth = {OCT 9},\nDOI = {10.1021\/jp506959m},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- S. Toliautas<\/span>, M. Macernis, J. Sulskus, and L. Valkunas, “Solvent effect on the photo-induced proton transfer in 2-(N-methyl-alpha-iminoethyl)-phenol,” Chemical Physics Letters<\/span>, 591, 52-57, 2014. [DOI<\/b><\/a>] [PDF<\/b><\/a>] [SI<\/b><\/a>]
\n\n@article{Toliautas2014-CPL591,\nAuthor = {Toliautas, Stepas and Macernis, Mindaugas\nand Sulskus, Juozas and Valkunas, Leonas},\nTitle = {{Solvent effect on the photo-induced proton transfer\nin 2-(N-methyl-alpha-iminoethyl)-phenol}},\nJournal = {{Chemical Physics Letters}},\nYear = {2014},\nVolume = {591},\nPages = {52-57},\nMonth = {JAN 20},\nDOI = {10.1016\/j.cplett.2013.10.084},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2012<\/h3>\n\n- S. Toliautas<\/span>, J. Sulskus, L. Valkunas, and M. Vengris, “Quantum chemical studies of photochromic properties of benzoxazine compound,” Chemical Physics<\/span>, 404, 64-73, 2012. [DOI<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@article{Toliautas2012-CP404,\nAuthor = {Toliautas, Stepas and Sulskus, Juozas\nand Valkunas, Leonas and Vengris, Mikas},\nTitle = {{Quantum chemical studies of photochromic properties\nof benzoxazine compound}},\nJournal = {{Chemical Physics}},\nYear = {2012},\nVolume = {404},\nPages = {64-73},\nMonth = {AUG 24},\nDOI = {10.1016\/j.chemphys.2012.03.006},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n<\/div>\n <\/p>\n
Cover features<\/h3>\n
<\/p>\n
\n- Broad-audience introduction into the research of fluorescent viscosity sensors:
\nBy the rhythm of science<\/a> (Lrytas.tv \/ Delfi.tv, 2020-02-22, in Lithuanian)<\/li>\n<\/ul>\n <\/p>\n
Conference presentations<\/h3>\n
Most of the presented research has been published in articles (above) and\/ or used in academic theses (below). Findings that haven’t been finalized due to participant attrition are highlighted <\/span> and open to inquiries.<\/p>\nExpand<\/span>Collapse<\/span>\n2022<\/h3>\n\n- S. Toliautas<\/span>, “Scaling the hardware zoo: user-side timings of common quantum chemistry routines,” in EuroCC workshop and training on using HPC: abstract book<\/span>, Vilnius, 2022. [LT\/EN<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-NCCWS,\nAuthor = {Stepas Toliautas},\nTitle = {{Scaling the hardware zoo: user-side timings of common quantum chemistry routines}},\nBooktitle = {{EuroCC workshop and training on using HPC: abstract book}},\nYear = {2022},\nMonth = {DEC 16},\nPublisher = {{Vilnius University}},\nAddress = {Vilnius},\nNote = {LT\/EN},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- D. Palinauskas and S. Toliautas<\/span>, “Substitution at BODIPY fragment effects on excited state potential energy surface,” in EuroCC workshop and training on using HPC: abstract book<\/span>, Vilnius, 2022.<\/font> [LT\/EN<\/b><\/a>]
\n\n@inproceedings{Palinauskas-NCCWS,\nAuthor = {Delianas Palinauskas and Stepas Toliautas},\nTitle = {{Substitution at BODIPY fragment effects on excited state potential energy surface}},\nBooktitle = {{EuroCC workshop and training on using HPC: abstract book}},\nYear = {2022},\nMonth = {DEC 16},\nPublisher = {{Vilnius University}},\nAddress = {Vilnius},\nNote = {LT\/EN},\nPresenter = {Delianas Palinauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- S. Toliautas<\/span>, A. Polita, K. Maleckait\u0117, and A. Vy\u0161niauskas, “Tracking photoexcitation to sense environment: design of BODIPY-based molecular rotors,” in Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book<\/span>, Vilnius, 2022. [EN<\/b><\/a>]
\n\n@inproceedings{Toliautas-EDS2022,\nAuthor = {Stepas Toliautas and Art\u016bras Polita and Karolina Maleckait\u0117 and Aurimas Vy\u0161niauskas},\nTitle = {{Tracking photoexcitation to sense environment: design of BODIPY-based molecular rotors}},\nBooktitle = {{Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book}},\nYear = {2022},\nMonth = {AUG 24},\nPublisher = {{Center for Physical Sciences and Technology}},\nAddress = {Vilnius},\nNote = {EN},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- K. Maleckait\u0117, J. Dodonova-Vaitk\u016bnien\u0117, S. Toliautas<\/span>, D. Jurgutis, R. \u017dil\u0117nait\u0117, V. Karabanovas, S. Tumkevi\u010dius, and A. Vy\u0161niauskas, “Red fluorescent BODIPY molecular rotors for lifetime-based sensing of microviscosity,” in Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book<\/span>, Vilnius, 2022.<\/font> [EN<\/b><\/a>]
\n\n@inproceedings{Maleckaite-EDS2022,\nAuthor = {Karolina Maleckait\u0117 and Jelena Dodonova-Vaitk\u016bnien\u0117 and Stepas Toliautas\nand D\u017eiugas Jurgutis and Rugil\u0117 \u017dil\u0117nait\u0117 and Vitalijus Karabanovas\nand Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\nTitle = {{Red fluorescent BODIPY molecular rotors for lifetime-based sensing of microviscosity}},\nBooktitle = {{Hanseatic workshop on Exciton dynamics and spectroscopy 2022: abstract book}},\nYear = {2022},\nMonth = {AUG 24},\nPublisher = {{Center for Physical Sciences and Technology}},\nAddress = {Vilnius},\nNote = {EN},\nPresenter = {Karolina Maleckait\u0117},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- S. Toliautas<\/span>, D. Palinauskas, and A. Vy\u0161niauskas, “Role of symmetry in environment-sensing mechanism of BODIPY-based molecular dyes,” in 14th European conference on Atoms molecules and photons: abstract book<\/span>, Vilnius, 2022. [EN<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-ECAMP14,\nAuthor = {Stepas Toliautas and Delianas Palinauskas and Aurimas Vy\u0161niauskas},\nTitle = {{Role of symmetry in environment-sensing mechanism of BODIPY-based molecular dyes}},\nBooktitle = {{14th European conference on Atoms molecules and photons: abstract book}},\nYear = {2022},\nMonth = {JUN 27},\nPublisher = {{European Physical Society}},\nAddress = {Vilnius},\nNote = {EN},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- K. Maleckait\u0117, J. Dodonova, S. Toliautas<\/span>, R. \u017dil\u0117nait\u0117, D. Jurgutis, V. Karabanovas, S. Tumkevi\u010dius, and A. Vy\u0161niauskas, “Red-fluorescent BODIPY microviscosity sensor for intracellular imaging,” in 7th international conference on Bio-sensing technology: abstract list<\/span>, Sitges, 2022.<\/font> [EN<\/b>]
\n\n@inproceedings{Maleckaite-BioSensors7,\nAuthor = {Karolina Maleckait\u0117 and Jelena Dodonova and Stepas Toliautas\nand Rugil\u0117 \u017dil\u0117nait\u0117 and D\u017eiugas Jurgutis and Vitalijus Karabanovas\nand Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\nTitle = {{Red-fluorescent BODIPY microviscosity sensor for intracellular imaging}},\nBooktitle = {{7th international conference on Bio-sensing technology: abstract list}},\nYear = {2022},\nMonth = {MAY 22},\nPublisher = {{Oxford Abstracts}},\nAddress = {Sitges},\nNote = {EN},\nPresenter = {Karolina Maleckait\u0117},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2021<\/h3>\n\n- K. Maleckait\u0117, J. Dodonova, S. Toliautas<\/span>, R. \u017dil\u0117nait\u0117, D. Jurgutis, V. Karabanovas, S. Tumkevi\u010dius, and A. Vy\u0161niauskas, “Raudonai fluorescuojantis klampai jautrus BODIPY fluoroforas,” in 44-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga<\/span>, Vilnius, 2021.<\/font> [LT<\/b><\/a>]
\n\n@inproceedings{Maleckaite-LNFK44,\nAuthor = {Karolina Maleckait\u0117 and Jelena Dodonova and Stepas Toliautas\nand Rugil\u0117 \u017dil\u0117nait\u0117 and D\u017eiugas Jurgutis and Vitalijus Karabanovas\nand Sigitas Tumkevi\u010dius and Aurimas Vy\u0161niauskas},\nTitle = {{Raudonai fluorescuojantis klampai jautrus BODIPY fluoroforas}},\nBooktitle = {{44-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga}},\nYear = {2021},\nMonth = {OCT 6},\nPublisher = {{Lietuvos fizik\u0173 draugija}},\nAddress = {Vilnius},\nNote = {LT},\nPresenter = {Karolina Maleckait\u0117},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- D. Palinauskas and S. Toliautas<\/span>, “8-vinil-BODIPY molekul\u0117s darini\u0173 modeliavimas tankio funkcionalo metodais,” in 44-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga<\/span>, Vilnius, 2021.<\/font> [LT<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Palinauskas-LNFK44,\nAuthor = {Delianas Palinauskas and Stepas Toliautas},\nTitle = {{8-vinil-BODIPY molekul\u0117s darini\u0173 modeliavimas tankio funkcionalo metodais}},\nBooktitle = {{44-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga}},\nYear = {2021},\nMonth = {OCT 6},\nPublisher = {{Lietuvos fizik\u0173 draugija}},\nAddress = {Vilnius},\nNote = {LT},\nPresenter = {Delianas Palinauskas},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2019<\/h3>\n\n- S. Toliautas<\/span> and A. Vy\u0161niauskas, “Fotochemin\u0117s reakcijos kelio skai\u010diavimai molekul\u0117ms su sud\u0117tinga sukimo grupe,” in 43-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga<\/span>, Vilnius, 2019. [LT<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-LNFK43,\nAuthor = {Toliautas, Stepas and Vy\u0161niauskas, Aurimas},\nTitle = {{Fotochemin\u0117s reakcijos kelio skai\u010diavimai molekul\u0117ms su sud\u0117tinga sukimo grupe}},\nBooktitle = {{43-oji Lietuvos nacionalin\u0117 fizikos konferencija: prane\u0161im\u0173 med\u017eiaga}},\nYear = {2019},\nMonth = {OCT 3},\nPublisher = {{Lietuvos fizik\u0173 draugija}},\nAddress = {Vilnius},\nNote = {LT},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n<\/ul>\n2015<\/h3>\n\n- S. Toliautas<\/span>, S. Malickaja, J. Sulskus, M. Vengris, and L. Valkunas, “Spectral properties of spiro[chromene-2,2′-indole]-based photochromic molecules,” <\/font>in 16th international conference on Density functional theory and its applications: programme and abstracts<\/span>, Debrecen, 2015. [EN<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-DFT2015,\nAuthor = {Toliautas, Stepas and Malickaja, Svetlana and Sulskus, Juozas and Vengris, Mikas and Valkunas, Leonas},\nTitle = {{Spectral properties of spiro[chromene-2,2'-indole]-based photochromic molecules}},\nBooktitle = {{16th international conference on Density functional theory and its applications: programme and abstracts}},\nYear = {2015},\nMonth = {AUG 31},\nPublisher = {{University of Debrecen}},\nAddress = {Debrecen},\nNote = {EN},\nPerish = {2016},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- S. Toliautas<\/span>, S. Malickaja, J. \u0160ulskus, M. Vengris, and L. Valk\u016bnas, “Spiro[chromeno-2,2′-indolo] pagrindu kuriam\u0173 fotochromini\u0173 molekuli\u0173 spektrini\u0173 savybi\u0173 modeliavimas,” in 41-oji Lietuvos nacionalin\u0117 fizikos konferencija: programa ir prane\u0161im\u0173 tez\u0117s<\/span>, Vilnius, 2015. [LT<\/b><\/a>] [PDF<\/b><\/a>]
\n\n@inproceedings{Toliautas-LNFK41,\nAuthor = {Toliautas, Stepas and Malickaja, Svetlana and \u0160ulskus, Juozas and Vengris, Mikas and Valk\u016bnas, Leonas},\nTitle = {{Spiro[chromeno-2,2'-indolo] pagrindu kuriam\u0173 fotochromini\u0173 molekuli\u0173 spektrini\u0173 savybi\u0173 modeliavimas}},\nBooktitle = {{41-oji Lietuvos nacionalin\u0117 fizikos konferencija: programa ir prane\u0161im\u0173 tez\u0117s}},\nYear = {2015},\nMonth = {JUN 17},\nPublisher = {{Lietuvos fizik\u0173 draugija}},\nAddress = {Vilnius},\nNote = {LT},\n}<\/code><\/pre>\n<\/div>\n<\/li>\n- E. Ba\u0161inskait\u0117, V. Butkus, S. Toliautas<\/span>, and D. Abramavi\u010dius, “Vibronin\u0117 s\u0105veika teoriniuose chlorofilo a spektruose,” <\/font>in 41-oji Lietuvos nacionalin\u0117 fizikos konferencija: programa ir prane\u0161im\u0173 tez\u0117s<\/span>, Vilnius, 2015.<\/font> [LT<\/b><\/a>]
\n\n