Russian Journal of Biological Physics and Chemisrty Russian Journal of Biological Physics and Chemisrty АКТУАЛЬНЫЕ ВОПРОСЫ БИОЛОГИЧЕСКОЙ ФИЗИКИ И ХИМИИ 2499-9962 54362 Моделирование в биофизике Modelling in biophycis Моделирование в биофизике KINETIC AND MULTI-PARTICLE BROWNIAN MODELS OF SWITCHING FLOWS IN MICROALGAE PRODUCING MOLECULAR HYDROGEN КИНЕТИЧЕСКИЕ И МНОГОЧАСТИЧНЫЕ БРОУНОВСКИЕ МОДЕЛИ ПЕРЕКЛЮЧЕНИЯ ПОТОКОВ В МИКРОВОДОРОСЛЯХ, ВЫДЕЛЯЮЩИХ МОЛЕКУЛЯРНЫЙ ВОДОРОД Ризниченко Галина Юрьевна Riznichenko Galina Yur'evna riznich46@mail.ru

доктор биологических наук;

doctor of sciences in biology;

 Плюснина Т Ю Plyusnina T Yu Дьяконова А Н Dyakonova A N Хрущев С С Khrushchev S S Коваленко И Б Kovalenko I B Рубин А Б Rubin A B Московский государственный университет имени М.В.Ломоносова Lomonosov Moscow State University Московский государственный университет им. М.В. Ломоносова ru Lomonosov Moscow State University ru Московский государственный университет им. М.В. Ломоносова ru Lomonosov Moscow State University ru Московский государственный университет им. М.В. Ломоносова ru Lomonosov Moscow State University ru Московский государственный университет им. М.В. Ломоносова ru Lomonosov Moscow State University ru Московский государственный университет им. М.В. Ломоносова ru Lomonosov Moscow State University ru 25 12 2018 25 12 2018 3 4 763 772 20 12 2018 20 12 2018 https://rusjbpc.ru/en/nauka/article/54362/view

Структурно-динамические (кинетические) и агентные (многочастичные броуновские) модели использованы для изучения роль рН в регуляции электронных потоков в областях Фотосистемы II и Фотосистемы I при переключении нормального режима активного фотосинтеза и фиксации углерода на режим неактивного фотосинтеза и продуцирования молекулярного водорода. Мультимасштабная кинетическая модель описывает электронные потоки в ФС II, изменение концентрации протонов в строме и восстановление пула пластохинонов в фотосинтетическом пути и в цепи хлородыхания. На ее основе предложен кинетический механизм скачкообразного падения активности Фотосистемы II, закисления стромы в области Фотосистемы II и переключения потока электронов на путь хлородыхания. Многочастичные броуновские модели описывают конкурентное взаимодействие молекул ферредоксина, принимающего электроны от ФС1, с альтернативными акцепторами: NAD(P)H (путь фиксации CO2) и гидрогеназой (путь производства водорода). Анализ результатом многочастичного моделирования и электростатических свойств взаимодействующих молекул показал, что поток электронов от ферредоксина на гидрогеназу возрастает при щелочных значениях рН (~8-8.5) в окрестности акцепторного участка Фотосистемы I. Полученные результаты подтверждает широко обсуждаемую в литературе гипотезу о регуляторной роли локальных значений рН в процессах фотосинтеза.

Structural dynamic (kinetic) and agent (multi-particle Brownian) models are used to study the role of pH in the regulation of electron fluxes in the areas of Photosystem II and PhotosystemI when switching the normal mode of active photosynthesis and carbon fixation to the regime of inactive photosynthesis and the production of molecular hydrogen. A multiscale kinetic model describes electron fluxes in PS II, an increase of the proton concentration in the stroma, and the reduction of the plastoquinone pool in the photosynthetic pathway due to the chloro-respiration chain. Based on this model a kinetic mechanism of the jump in the activity of Photosystem II, the stromal acidification in the Photosystem II region and the switching of the electron flow to the path of chloro-respiration is proposed. Multiparticle Brownian models describe the competitive interaction of ferredoxin molecules, which take electrons from PSI, to alternative acceptors: NAD(P)H (CO2 fixation pathway) and hydrogenase (hydrogen production path). The analysis of the results of multiparticle modeling and electrostatic properties of interacting molecules showed that the electron flux from ferredoxin to hydrogenase increases at alkaline pH values (~ 8-8.5) in the vicinity of the Photosystem I acceptor site. The results obtained confirm the hypothesis about the regulatory role of local pH values, widely discussed in the literature in the processes of photosynthesis.

 фотосинтез электронный транспорт водород-выделяющие микроводоросли кинетические модели многочастичные броуновские модели ферредоксин photosynthesis electronic transport hydrogen-production from microalgae kinetic models multiparticle Brownian models ferredoxin

Rubin A.B., Riznichenko G.Yu. Mathematical biophysics. Springer, 2014 Rubin A.B., Riznichenko G.Yu. Mathematical biophysics. Springer, 2014 Stirbet A., Riznichenko G.Yu., Rubin A.B. Modeling chlorophyll a fluorescence transient: Relation to photosynthesis. Biochemistry (Moscow), 2014, vol. 79, pp. 291-323. Stirbet A., Riznichenko G.Yu., Rubin A.B. Modeling chlorophyll a fluorescence transient: Relation to photosynthesis. Biochemistry (Moscow), 2014, vol. 79, pp. 291-323. Gaffron H., Rubin J. Fermentative and photochemical production of hydrogen in algae. JGP, 1942, vol. 26, pp. 219-240. Gaffron H., Rubin J. Fermentative and photochemical production of hydrogen in algae. JGP, 1942, vol. 26, pp. 219-240. Oey M., Sawyer A. L., Ross I.L., Hankamer B. Challenges and opportunities for hydrogen production from microalgae. Plant Biotechnol. J., 2016, vol. 14, pp. 1487-1499. Oey M., Sawyer A. L., Ross I.L., Hankamer B. Challenges and opportunities for hydrogen production from microalgae. Plant Biotechnol. J., 2016, vol. 14, pp. 1487-1499. Melis A., Happe T. Hydrogen production. Green Algae as a source of energy. Plant Phys., 2001, vol. 12, pp. 3740-3748. Melis A., Happe T. Hydrogen production. Green Algae as a source of energy. Plant Phys., 2001, vol. 12, pp. 3740-3748. Tolstygina I.V., Antal T.K., Kosourov S.N., Krendeleva T.E., Rubin A.B., Tsygankov A.A. Hydrogen production by photoautotrophic sulfur-deprived Chlamydomonas reinhardtii pre-grown and incubated under high light. Biotech. Bioeng., 2009, vol. 102, no. 4, pp. 1-7. Tolstygina I.V., Antal T.K., Kosourov S.N., Krendeleva T.E., Rubin A.B., Tsygankov A.A. Hydrogen production by photoautotrophic sulfur-deprived Chlamydomonas reinhardtii pre-grown and incubated under high light. Biotech. Bioeng., 2009, vol. 102, no. 4, pp. 1-7. Volgusheva А.A., Kukarskikh G.P., Krendeleva T.E., Rubin A.B., Mamedov F. Hydrogen photoproduction in green algae Chlamydomonas reinhardtii under Magnesium deprivation. RSC Advances, 2015, vol. 5, no. 8, pp. 5633-5637. Volgusheva A.A., Kukarskikh G.P., Krendeleva T.E., Rubin A.B., Mamedov F. Hydrogen photoproduction in green algae Chlamydomonas reinhardtii under Magnesium deprivation. RSC Advances, 2015, vol. 5, no. 8, pp. 5633-5637. Antal T.K., Matorin D.N., Kukarskikh G.P., Lambreva M.D., Tyystjärvi E., Krendeleva Т.E., Tsygankov A.A., Rubin A.B. Pathways of hydrogen photoproduction by immobilized Chlamydomonas reinhardtii cells deprived of sulfur. Int. J. Hyd. Energy, 2014, vol. 39, pp. 18194-18203. Antal T.K., Matorin D.N., Kukarskikh G.P., Lambreva M.D., Tyystjärvi E., Krendeleva T.E., Tsygankov A.A., Rubin A.B. Pathways of hydrogen photoproduction by immobilized Chlamydomonas reinhardtii cells deprived of sulfur. Int. J. Hyd. Energy, 2014, vol. 39, pp. 18194-18203. Tsygankov A., Kousourov S., Siebert M., Ghirardi M. Hydrogen photoproduction under continuous illumination by sulfur-deprived, synchronous Ch. reinhardtii cultures. Int. J. Hyd. Energy, 2002, vol. 27, pp. 1239-1244. Tsygankov A., Kousourov S., Siebert M., Ghirardi M. Hydrogen photoproduction under continuous illumination by sulfur-deprived, synchronous Ch. reinhardtii cultures. Int. J. Hyd. Energy, 2002, vol. 27, pp. 1239-1244. Antal T.K., Krendeleva T.E., Rubin A.B. Study of Photosystem 2 Heterogeneity in the Sulfur Deficient Green Alga Chlamydomonas reinhardtii. Photosynth. Res., 2007, vol. 94, pp.13-22. Antal T.K., Krendeleva T.E., Rubin A.B. Study of Photosystem 2 Heterogeneity in the Sulfur Deficient Green Alga Chlamydomonas reinhardtii. Photosynth. Res., 2007, vol. 94, pp.13-22. Tikhonov A.N. pH-Dependent regulation of electron transport and ATP synthesis in Chloroplasts. Photosynth. Res., 2013, vol. 116, pp. 511-534. Tikhonov A.N. pH-Dependent regulation of electron transport and ATP synthesis in Chloroplasts. Photosynth. Res., 2013, vol. 116, pp. 511-534. Plyusnina T.Yu., Riznichenko G.Yu., Rubin A.B. Regulation of electron transport pathways in cells of Chlamydomonas reinhardtii under stress conditions. J. of Plant Physiology, 2013, vol. 60, no. 4, pp. 518-528. Plyusnina T.Yu., Riznichenko G.Yu., Rubin A.B. Regulation of electron transport pathways in cells of Chlamydomonas reinhardtii under stress conditions. J. of Plant Physiology, 2013, vol. 60, no. 4, pp. 518-528. Yacoby I., Pochekailov S., Toporik H., Ghirardi M., King P.W., Zhang S. Photosynthetic electron partitioning between [FeFe]-hydrogenase and ferredoxin:NADP+-oxidoreductase (FNR) enzymes in vitro. Proc. Natl. Acad. Sci. USA, 2011, vol. 108, no. 23, pp. 9395-9401. Yacoby I., Pochekailov S., Toporik H., Ghirardi M., King P.W., Zhang S. Photosynthetic electron partitioning between [FeFe]-hydrogenase and ferredoxin:NADP+-oxidoreductase (FNR) enzymes in vitro. Proc. Natl. Acad. Sci. USA, 2011, vol. 108, no. 23, pp. 9395-9401. Diakonova A.N., Khruschev S.S., Kovalenko I.B., Riznichenko G.Yu, Rubin A.B. The role of electrostatic interactions in the formation of ferredoxin-ferredoxin NADP+ reductase and ferredoxin-hydrogenase complexes. Biophysics, 2016, vol. 61, no. 4, pp. 572-579. Diakonova A.N., Khruschev S.S., Kovalenko I.B., Riznichenko G.Yu, Rubin A.B. The role of electrostatic interactions in the formation of ferredoxin-ferredoxin NADP+ reductase and ferredoxin-hydrogenase complexes. Biophysics, 2016, vol. 61, no. 4, pp. 572-579. Diakonova A.N., Khrushchev S.S., Kovalenko I.B., Riznichenko G.Yu, Rubin A.B. Influence of pH and ionic strength on electrostatic properties of ferredoxin, FNR, and hydrogenase and the rate constants of their interaction. Physical Biology, 2016, vol. 13, no. 5, p. 056004. Diakonova A.N., Khrushchev S.S., Kovalenko I.B., Riznichenko G.Yu, Rubin A.B. Influence of pH and ionic strength on electrostatic properties of ferredoxin, FNR, and hydrogenase and the rate constants of their interaction. Physical Biology, 2016, vol. 13, no. 5, p. 056004. Cardona T., Sedoud A., Cox N., Rutherford A.W. [et al.] Charge separation in Photosystem II: A comparative and evolutionary overview. Biochimica et biophysica acta-bioenergetics, 2012, vol. 1817, pp. 26-43. Cardona T., Sedoud A., Cox N., Rutherford A.W. [et al.] Charge separation in Photosystem II: A comparative and evolutionary overview. Biochimica et biophysica acta-bioenergetics, 2012, vol. 1817, pp. 26-43. Gibasiewicz K., Dobek A., Breton J., Leibl W. Modulation of Primary Radical Pair Kinetics and Energetics in Photosystem II by the Redox State of the Quinone Electron Acceptor QA. Biophys. J., 2001, vol. 80, pp. 1617-1630. Gibasiewicz K., Dobek A., Breton J., Leibl W. Modulation of Primary Radical Pair Kinetics and Energetics in Photosystem II by the Redox State of the Quinone Electron Acceptor QA. Biophys. J., 2001, vol. 80, pp. 1617-1630. Martin E., Samoilova R.I., Narasimhulu K.V., Lin T.-J., O’malley P.J., Wraight C.A., Dikanov S.A. Hydrogen bonding and spin density distribution in the QB semiquinone of bacterial reaction centers and comparison with the QA site. Am. Chem. Soc., 2011, vol. 133, pp. 5525-5537. Martin E., Samoilova R.I., Narasimhulu K.V., Lin T.-J., O’malley P.J., Wraight C.A., Dikanov S.A. Hydrogen bonding and spin density distribution in the QB semiquinone of bacterial reaction centers and comparison with the QA site. Am. Chem. Soc., 2011, vol. 133, pp. 5525-5537. Antal T.K., Krendeleva T.E., Laurinavichene T.V., Makarova V.V., Ghirardi M.L., Rubin A.B., Tsygankov A.A., Seibert M. The dependence of algal H2 production on Photosystem II and O2 consumption activities in sulfur-deprived Chlamydomonas reinhardtii cells. Biochim. Biophys. Acta, 2003, vol. 1607, pp.153-160. Antal T.K., Krendeleva T.E., Laurinavichene T.V., Makarova V.V., Ghirardi M.L., Rubin A.B., Tsygankov A.A., Seibert M. The dependence of algal H2 production on Photosystem II and O2 consumption activities in sulfur-deprived Chlamydomonas reinhardtii cells. Biochim. Biophys. Acta, 2003, vol. 1607, pp.153-160. Plyusnina T.Yu., Riznichenko G.Yu., Rubin A.B. An analysis of the distribution of key metabolic fluxes in Chlamydomonas reinhardtii cells under the conditions of a sulfur deficit. Biophysics, 2017, vol. 62, pp. 385-395. Plyusnina T.Yu., Riznichenko G.Yu., Rubin A.B. An analysis of the distribution of key metabolic fluxes in Chlamydomonas reinhardtii cells under the conditions of a sulfur deficit. Biophysics, 2017, vol. 62, pp. 385-395. Kovalenko I.B., Abaturova A.M., Gromov P.A., Grachev E.A., Ustinin D.M., Riznichenko G.Yu., Rubin A.B. Direct simulation of plastocyanin and cytochrome f interactions in solution. Phys. Biol., 2006, vol. 3, pp. 121-129. Kovalenko I.B., Abaturova A.M., Gromov P.A., Grachev E.A., Ustinin D.M., Riznichenko G.Yu., Rubin A.B. Direct simulation of plastocyanin and cytochrome f interactions in solution. Phys. Biol., 2006, vol. 3, pp. 121-129. Kovalenko I., Knyazeva O., Antal T., Ponomarev V., Riznichenko G., Rubin A. Multiparticle Brownian dynamics simulation of experimental kinetics of cytochrome bf oxidation and photosystem 1 reduction by plastocyanin. Physiologia Plantarum, 2017, vol. 161, pp. 88-96. Kovalenko I., Knyazeva O., Antal T., Ponomarev V., Riznichenko G., Rubin A. Multiparticle Brownian dynamics simulation of experimental kinetics of cytochrome bf oxidation and photosystem 1 reduction by plastocyanin. Physiologia Plantarum, 2017, vol. 161, pp. 88-96.