Ilmiy hamkorligimizning navbatdagi natijasi! 🚀
O‘zbekiston Milliy universiteti Fizika fakulteti olimi, hamkasbimiz Dr. Tohir Akramov bilan hamkorlikdagi maqolamiz "Journal of Physics D: Applied Physics" (Q1; IF-3.2) jurnalida chop etildi! 👏
Toxirning ilmiy jamoamizga qo‘shilganiga 2 yildan oshdi. U qisqa muddat ichida molekulyar modellashtirish sirlarini puxta egallab, jamoamizning yetakchi xodimiga aylandi.
🔬 Tadqiqot nima haqida?
Maqolamiz "Mechanisms of Plasma-Induced Oxidative Degradation of L-Proline and trans-4-Hydroxy-L-proline: A Computational Study" deb nomlanadi. Unda sovuq atmosferik plazmasi ta’sirida proline aminokislotasining qanday qilib oksidlangan formaga o‘tish mexanizmlari molekulyar darajada o‘rganilgan:
- DFTB+ va DFT nazariyalari asosida gaz va suv fazasidagi kimyoviy o‘zgarishlar simulyatsiya qilindi.
- L-proline tarkibidagi halqaning ochilishi, parchalanishi va yangi funksional guruhlar (–OH, C=O) hosil bo‘lish mexanizmlari aniqlandi.
- Maqolaning kimyoviy jihatlarini, uning ilmiy qiymatini oshirishda faol ishtirok etgan shogirdim Davronjon Izzatulla Õğli yoritib berdi.
Barcha mualliflarni va jamoamizni ushbu ajoyib natija bilan tabriklayman! 🎓📈
Maqolani o‘qish uchun havola: https://iopscience.iop.org/article/10.1088/1361-6463/ae8bbb
#ComputationalChemistry #ComputationalPhysics #PlasmaMedicine #coldatmosphericplasma #DFTB+ #DFT #ResearchCollaboration
🇬🇧 Another milestone for our research group! 🚀
We are happy to announce that our collaborative research with Dr. Toxir Akramov, a talented scientist from the Faculty of Physics at the National University of Uzbekistan, has been published in the prestigious "Journal of Physics D: Applied Physics" (Q1; IF-3.2)! 🥳👏
Tohir joined our research team over 2 years ago and rapidly mastered the complexities of molecular modeling, proving himself to be an outstanding asset to our group.
🔬 About the Research:
Our paper, titled "Mechanisms of Plasma-Induced Oxidative Degradation of L-Proline and trans-4-Hydroxy-L-proline: A Computational Study", provides molecular-level insights into how cold plasma-generated reactive species modify biomolecules:
- Using DFTB+ and DFT calculations, we simulated the dynamic evolution of L-proline and trans-4-hydroxy-L-proline in both the gas phase and aqueous solution.
- The simulations revealed key structural changes in L-proline (such as ring opening and fragmentation), while trans-4-hydroxy-L-proline showed higher resistance due to the stabilizing effect of its hydroxyl group.
- The chemical aspects of this complex mechanism were excellently described and integrated by my student, Davronjon Abduvokhidov.
Congratulations to all co-authors and the entire team on this high-impact publication! 🎓📈
Read the full paper here: https://iopscience.iop.org/article/10.1088/1361-6463/ae8bbb
#ComputationalChemistry #ComputationalPhysics #PlasmaMedicine #coldatmosphericplasma #DFTB+ #DFT #ResearchCollaboration
O‘zbekiston Milliy universiteti Fizika fakulteti olimi, hamkasbimiz Dr. Tohir Akramov bilan hamkorlikdagi maqolamiz "Journal of Physics D: Applied Physics" (Q1; IF-3.2) jurnalida chop etildi! 👏
Toxirning ilmiy jamoamizga qo‘shilganiga 2 yildan oshdi. U qisqa muddat ichida molekulyar modellashtirish sirlarini puxta egallab, jamoamizning yetakchi xodimiga aylandi.
🔬 Tadqiqot nima haqida?
Maqolamiz "Mechanisms of Plasma-Induced Oxidative Degradation of L-Proline and trans-4-Hydroxy-L-proline: A Computational Study" deb nomlanadi. Unda sovuq atmosferik plazmasi ta’sirida proline aminokislotasining qanday qilib oksidlangan formaga o‘tish mexanizmlari molekulyar darajada o‘rganilgan:
- DFTB+ va DFT nazariyalari asosida gaz va suv fazasidagi kimyoviy o‘zgarishlar simulyatsiya qilindi.
- L-proline tarkibidagi halqaning ochilishi, parchalanishi va yangi funksional guruhlar (–OH, C=O) hosil bo‘lish mexanizmlari aniqlandi.
- Maqolaning kimyoviy jihatlarini, uning ilmiy qiymatini oshirishda faol ishtirok etgan shogirdim Davronjon Izzatulla Õğli yoritib berdi.
Barcha mualliflarni va jamoamizni ushbu ajoyib natija bilan tabriklayman! 🎓📈
Maqolani o‘qish uchun havola: https://iopscience.iop.org/article/10.1088/1361-6463/ae8bbb
#ComputationalChemistry #ComputationalPhysics #PlasmaMedicine #coldatmosphericplasma #DFTB+ #DFT #ResearchCollaboration
🇬🇧 Another milestone for our research group! 🚀
We are happy to announce that our collaborative research with Dr. Toxir Akramov, a talented scientist from the Faculty of Physics at the National University of Uzbekistan, has been published in the prestigious "Journal of Physics D: Applied Physics" (Q1; IF-3.2)! 🥳👏
Tohir joined our research team over 2 years ago and rapidly mastered the complexities of molecular modeling, proving himself to be an outstanding asset to our group.
🔬 About the Research:
Our paper, titled "Mechanisms of Plasma-Induced Oxidative Degradation of L-Proline and trans-4-Hydroxy-L-proline: A Computational Study", provides molecular-level insights into how cold plasma-generated reactive species modify biomolecules:
- Using DFTB+ and DFT calculations, we simulated the dynamic evolution of L-proline and trans-4-hydroxy-L-proline in both the gas phase and aqueous solution.
- The simulations revealed key structural changes in L-proline (such as ring opening and fragmentation), while trans-4-hydroxy-L-proline showed higher resistance due to the stabilizing effect of its hydroxyl group.
- The chemical aspects of this complex mechanism were excellently described and integrated by my student, Davronjon Abduvokhidov.
Congratulations to all co-authors and the entire team on this high-impact publication! 🎓📈
Read the full paper here: https://iopscience.iop.org/article/10.1088/1361-6463/ae8bbb
#ComputationalChemistry #ComputationalPhysics #PlasmaMedicine #coldatmosphericplasma #DFTB+ #DFT #ResearchCollaboration
iopscience.iop.org
Mechanisms of plasma-induced oxidative degradation of L-proline and trans-4-hydroxy-L-proline: a computational study
Mechanisms of plasma-induced oxidative degradation of L-proline and trans-4-hydroxy-L-proline: a computational study, Akramov, Tohir, Benassi, Enrico, Yusupov, Maksudbek, Abduvaitov, Otabek, Abduvokhidov, Davronjon, Razzokov, Jamoliddin
👍8🔥5
🎉🔬 Yana bir ilmiy yutug‘imiz!
Shogirdim Murodali Mamanazarovning navbatdagi ilmiy maqolasi Journal of Physics D: Applied Physics (IF = 3.2, Q1) jurnalida onlayn nashr etildi! 📚👏
🌍 Ushbu tadqiqot xalqaro hamkorlikda amalga oshirildi. Unda Xi’an Jiaotong University professori Hao Zhang, Fransiyaning Université d’Orléans professori Pascal Brault, shuningdek, hamkasblarimiz Maksudbek Yusupov va Davronjon Abduvokhidov ishtirok etdilar.
⚡️ Tadqiqotimiz nima haqida?
Karbamazepin (CBZ) — farmatsevtik preparat bo‘lib, uning qoldiqlari oqova suvlarda uzoq vaqt saqlanib qolishi va an’anaviy suv tozalash texnologiyalari yordamida qiyin parchalanishi mumkin.
Tadqiqotimizda sovuq atmosferik plazma ta’sirida hosil bo‘ladigan atomar kislorodning karbamazepin molekulasi bilan reaksiyaga kirishish mexanizmlari DFTB asosidagi reaktiv molekulyar dinamika va kvant-kimyoviy hisoblashlar yordamida o‘rganildi. 🧪💻
🔍 Asosiy ilmiy natijalar:
✅ 100 ta mustaqil molekulyar dinamika simulyatsiyasi asosida 23 xil reaksiya turlari aniqlandi.
✅ Oksidlanish reaksiyalarining asosiy qismi gidroksillanish (72%) orqali sodir bo‘lishi, qolgan qismi esa kislorodning epoksid tipida birikishi, halqaning kengayishi va boshqa mexanizmlar orqali kechishi ko‘rsatildi.
✅ Kvant-kimyoviy hisoblashlar yordamida ayrim reaksiyalarning energetik xususiyatlari va aktivatsiya to‘siqlari aniqlandi.
📌 Ushbu natijalar plazma yordamida farmatsevtik ifloslantiruvchi moddalarni parchalashning dastlabki molekulyar mexanizmlarini tushunishga hamda kelajakda samarali suv tozalash texnologiyalarini ishlab chiqishga ilmiy asos yaratadi.
🤝 Ushbu ilmiy yutuq bilan shogirdim Murodali Mamanazarovni va barcha hammualliflarni chin qalbimdan tabriklayman! Xalqaro ilmiy hamkorligimiz yanada rivojlanib, yangi natijalarga erishishimizga ishonaman! 🚀🇺🇿🇨🇳🇫🇷
#ScientificAchievement #PlasmaTechnology #WaterTreatment #MolecularDynamics #DFTB #EnvironmentalScience #InternationalCollaboration #IFAR #Uzbekistan https://iopscience.iop.org/article/10.1088/1361-6463/aeb273
Shogirdim Murodali Mamanazarovning navbatdagi ilmiy maqolasi Journal of Physics D: Applied Physics (IF = 3.2, Q1) jurnalida onlayn nashr etildi! 📚👏
🌍 Ushbu tadqiqot xalqaro hamkorlikda amalga oshirildi. Unda Xi’an Jiaotong University professori Hao Zhang, Fransiyaning Université d’Orléans professori Pascal Brault, shuningdek, hamkasblarimiz Maksudbek Yusupov va Davronjon Abduvokhidov ishtirok etdilar.
⚡️ Tadqiqotimiz nima haqida?
Karbamazepin (CBZ) — farmatsevtik preparat bo‘lib, uning qoldiqlari oqova suvlarda uzoq vaqt saqlanib qolishi va an’anaviy suv tozalash texnologiyalari yordamida qiyin parchalanishi mumkin.
Tadqiqotimizda sovuq atmosferik plazma ta’sirida hosil bo‘ladigan atomar kislorodning karbamazepin molekulasi bilan reaksiyaga kirishish mexanizmlari DFTB asosidagi reaktiv molekulyar dinamika va kvant-kimyoviy hisoblashlar yordamida o‘rganildi. 🧪💻
🔍 Asosiy ilmiy natijalar:
✅ 100 ta mustaqil molekulyar dinamika simulyatsiyasi asosida 23 xil reaksiya turlari aniqlandi.
✅ Oksidlanish reaksiyalarining asosiy qismi gidroksillanish (72%) orqali sodir bo‘lishi, qolgan qismi esa kislorodning epoksid tipida birikishi, halqaning kengayishi va boshqa mexanizmlar orqali kechishi ko‘rsatildi.
✅ Kvant-kimyoviy hisoblashlar yordamida ayrim reaksiyalarning energetik xususiyatlari va aktivatsiya to‘siqlari aniqlandi.
📌 Ushbu natijalar plazma yordamida farmatsevtik ifloslantiruvchi moddalarni parchalashning dastlabki molekulyar mexanizmlarini tushunishga hamda kelajakda samarali suv tozalash texnologiyalarini ishlab chiqishga ilmiy asos yaratadi.
🤝 Ushbu ilmiy yutuq bilan shogirdim Murodali Mamanazarovni va barcha hammualliflarni chin qalbimdan tabriklayman! Xalqaro ilmiy hamkorligimiz yanada rivojlanib, yangi natijalarga erishishimizga ishonaman! 🚀🇺🇿🇨🇳🇫🇷
#ScientificAchievement #PlasmaTechnology #WaterTreatment #MolecularDynamics #DFTB #EnvironmentalScience #InternationalCollaboration #IFAR #Uzbekistan https://iopscience.iop.org/article/10.1088/1361-6463/aeb273
iopscience.iop.org
Atomic oxygen-induced oxidative degradation of carbamazepine: Mechanistic insights from reactive molecular dynamics
Atomic oxygen-induced oxidative degradation of carbamazepine: Mechanistic insights from reactive molecular dynamics, Mamanazarov, Murodali, Abduvokhidov, Davronjon, Zhang, Hao, Brault, Pascal, Yusupov, Maksudbek, Razzokov, Jamoliddin
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