A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation
The possibility of pigment detection and recognition in different environments such as solvents or proteins is a challenging, and at the same time demanding, task. It may be needed in very different situations: from the nondestructive in situ identification of pigments in paintings to the early dete...
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| Format: | Article |
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MDPI AG
2023-12-01
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| Series: | Plants |
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| Online Access: | https://www.mdpi.com/2223-7747/12/24/4178 |
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| author | Roman Y. Pishchalnikov Denis D. Chesalin Vasiliy A. Kurkov Uliana A. Shkirina Polina K. Laptinskaya Vasiliy S. Novikov Sergey M. Kuznetsov Andrei P. Razjivin Maksim N. Moskovskiy Alexey S. Dorokhov Andrey Yu. Izmailov Sergey V. Gudkov |
| author_facet | Roman Y. Pishchalnikov Denis D. Chesalin Vasiliy A. Kurkov Uliana A. Shkirina Polina K. Laptinskaya Vasiliy S. Novikov Sergey M. Kuznetsov Andrei P. Razjivin Maksim N. Moskovskiy Alexey S. Dorokhov Andrey Yu. Izmailov Sergey V. Gudkov |
| author_sort | Roman Y. Pishchalnikov |
| collection | DOAJ |
| description | The possibility of pigment detection and recognition in different environments such as solvents or proteins is a challenging, and at the same time demanding, task. It may be needed in very different situations: from the nondestructive in situ identification of pigments in paintings to the early detection of fungal infection in major agro-industrial crops and products. So, we propose a prototype method, the key feature of which is a procedure analyzing the lineshape of a spectrum. The shape of the absorption spectrum corresponding to this transition strongly depends on the immediate environment of a pigment and can serve as a marker to detect the presence of a particular pigment molecule in a sample. Considering carotenoids as an object of study, we demonstrate that the combined operation of the differential evolution algorithm and semiclassical quantum modeling of the optical response based on a generalized spectral density (the number of vibronic modes is arbitrary) allows us to distinguish quantum models of the pigment for different solvents. Moreover, it is determined that to predict the optical properties of monomeric pigments in protein, it is necessary to create a database containing, for each pigment, in addition to the absorption spectra measured in a predefined set of solvents, the parameters of the quantum model found using differential evolution. |
| first_indexed | 2024-03-08T18:34:16Z |
| format | Article |
| id | doaj.art-01c09cd278d542d3985c8631ce77757d |
| institution | Directory Open Access Journal |
| issn | 2223-7747 |
| language | English |
| last_indexed | 2024-03-08T18:34:16Z |
| publishDate | 2023-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Plants |
| spelling | doaj.art-01c09cd278d542d3985c8631ce77757d2023-12-29T15:47:36ZengMDPI AGPlants2223-77472023-12-011224417810.3390/plants12244178A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property SimulationRoman Y. Pishchalnikov0Denis D. Chesalin1Vasiliy A. Kurkov2Uliana A. Shkirina3Polina K. Laptinskaya4Vasiliy S. Novikov5Sergey M. Kuznetsov6Andrei P. Razjivin7Maksim N. Moskovskiy8Alexey S. Dorokhov9Andrey Yu. Izmailov10Sergey V. Gudkov11Prokhorov General Physics Institute of the Russian Academy of Sciences, 119991 Moscow, RussiaProkhorov General Physics Institute of the Russian Academy of Sciences, 119991 Moscow, RussiaProkhorov General Physics Institute of the Russian Academy of Sciences, 119991 Moscow, RussiaProkhorov General Physics Institute of the Russian Academy of Sciences, 119991 Moscow, RussiaProkhorov General Physics Institute of the Russian Academy of Sciences, 119991 Moscow, RussiaProkhorov General Physics Institute of the Russian Academy of Sciences, 119991 Moscow, RussiaProkhorov General Physics Institute of the Russian Academy of Sciences, 119991 Moscow, RussiaBelozersky Research Institute of Physico-Chemical Biology, Moscow State University, 119992 Moscow, RussiaFederal State Budgetary Scientific Institution “Federal Scientific Agroengineering Center VIM” (FSAC VIM), 109428 Moscow, RussiaFederal State Budgetary Scientific Institution “Federal Scientific Agroengineering Center VIM” (FSAC VIM), 109428 Moscow, RussiaFederal State Budgetary Scientific Institution “Federal Scientific Agroengineering Center VIM” (FSAC VIM), 109428 Moscow, RussiaProkhorov General Physics Institute of the Russian Academy of Sciences, 119991 Moscow, RussiaThe possibility of pigment detection and recognition in different environments such as solvents or proteins is a challenging, and at the same time demanding, task. It may be needed in very different situations: from the nondestructive in situ identification of pigments in paintings to the early detection of fungal infection in major agro-industrial crops and products. So, we propose a prototype method, the key feature of which is a procedure analyzing the lineshape of a spectrum. The shape of the absorption spectrum corresponding to this transition strongly depends on the immediate environment of a pigment and can serve as a marker to detect the presence of a particular pigment molecule in a sample. Considering carotenoids as an object of study, we demonstrate that the combined operation of the differential evolution algorithm and semiclassical quantum modeling of the optical response based on a generalized spectral density (the number of vibronic modes is arbitrary) allows us to distinguish quantum models of the pigment for different solvents. Moreover, it is determined that to predict the optical properties of monomeric pigments in protein, it is necessary to create a database containing, for each pigment, in addition to the absorption spectra measured in a predefined set of solvents, the parameters of the quantum model found using differential evolution.https://www.mdpi.com/2223-7747/12/24/4178optimizationdifferential evolutionabsorptionoptical responsecarotenoidsmultimode Brownian oscillator model |
| spellingShingle | Roman Y. Pishchalnikov Denis D. Chesalin Vasiliy A. Kurkov Uliana A. Shkirina Polina K. Laptinskaya Vasiliy S. Novikov Sergey M. Kuznetsov Andrei P. Razjivin Maksim N. Moskovskiy Alexey S. Dorokhov Andrey Yu. Izmailov Sergey V. Gudkov A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation Plants optimization differential evolution absorption optical response carotenoids multimode Brownian oscillator model |
| title | A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation |
| title_full | A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation |
| title_fullStr | A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation |
| title_full_unstemmed | A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation |
| title_short | A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation |
| title_sort | prototype method for the detection and recognition of pigments in the environment based on optical property simulation |
| topic | optimization differential evolution absorption optical response carotenoids multimode Brownian oscillator model |
| url | https://www.mdpi.com/2223-7747/12/24/4178 |
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