The beginning of 2024 brings positive news as our research achieves publication in the ACS Journal of Chemical Theory and Computation. 📚🎉 https://pubs.acs.org/doi/10.1021/acs.jctc.3c01020
🔬 Exploring the Secrets of BH4–: Bridging the Gap Between Experiment and Simulation 🌐
The borohydride ion, BH4–, plays a crucial role as a reducing agent in various technological processes. However, unraveling its mysteries has been challenging due to stability issues in aqueous solutions and its unique hydration shell.
🧪 In our latest study, we've taken a multidisciplinary approach, combining experiments and computer simulations. Overcoming the limitations posed by BH4–'s instability, we measured its activity coefficient and delved into its solvation free energies using quantum chemical calculations.
💻 This innovative strategy has allowed us to develop a classical force field for NaBH4, enriching our understanding of its characteristics. The force field accurately captures solvation free energy, hydration structure, and the activity coefficient, providing valuable insights for molecular dynamics simulations.
🌊 These findings pave the way for more accurate modeling of BH4– interactions, influencing its role in diverse scenarios.
#ScientificDiscovery #ChemistryResearch #BH4Ion #MolecularDynamics #SimulationInsights
🔬 Exploring the Secrets of BH4–: Bridging the Gap Between Experiment and Simulation 🌐
The borohydride ion, BH4–, plays a crucial role as a reducing agent in various technological processes. However, unraveling its mysteries has been challenging due to stability issues in aqueous solutions and its unique hydration shell.
🧪 In our latest study, we've taken a multidisciplinary approach, combining experiments and computer simulations. Overcoming the limitations posed by BH4–'s instability, we measured its activity coefficient and delved into its solvation free energies using quantum chemical calculations.
💻 This innovative strategy has allowed us to develop a classical force field for NaBH4, enriching our understanding of its characteristics. The force field accurately captures solvation free energy, hydration structure, and the activity coefficient, providing valuable insights for molecular dynamics simulations.
🌊 These findings pave the way for more accurate modeling of BH4– interactions, influencing its role in diverse scenarios.
#ScientificDiscovery #ChemistryResearch #BH4Ion #MolecularDynamics #SimulationInsights
ACS Publications
Unveiling the Borohydride Ion through Force-Field Development
The borohydride ion, BH4–, is an essential reducing agent in many technological processes, yet its full understanding has been elusive, because of at least two significant challenges. One challenge arises from its marginal stability in aqueous solutions outside…
Navbatdagi kitob tavsiyasi: Hozirgi kunda sun'iy intellekt (SI; AI - artificial intelligence) deyarli har bir sohaga kirib bordi. Chop etilayotgan ilmiy maqolalarni aksariyatida SI qo'llab yangilik qilinmoqda. Natijalar esa ajoyib. Shubhasiz,SI ilm-fan landshaftini qayta shakllantirmoqda, kashfiyotlarni tezlatmoqda va yangi sohalarga ham asos solinmoqda. Demak, biz ham o'z sohamizda SI.dan foydalanib nimalar qilishimiz mumkinligi haqida jiddiy o'ylab ko'rishimiz kerak. SI va uning ta'siri haqida kengroq tushunchalarga ega bo'lish uchun Klaus Shvabning "To'rtinchi sanoat inqilobi" kitobini o'qishni boshladim. Dunyo o'zgarish tomon yuz burmoqda, shunday ekan turli xil chaqiriqlarga tayyor turishimiz kerak. https://chat.openai.com/
Agar siz ma'lum tadqiqot yo'nalishlari bo'yicha bilimingizni oshirmoqchi bo'lsangiz, muayyan tadqiqot sohasida yangi bo'lsangiz yoki mavzuingizni qisqa vaqt ichida biridan ikkinchisiga o'zgartirmoqchi bo'lsangiz, kitob o'qing. Bunda PDFdrive onlayn kutubxonasi sizga yordam beradi.
📚 PDFdrive bilan bilimlar olamini kashf qiling! 🌐
Kitoblar dengiziga sho'ng'ishni va muayyan mavzular haqidagi tushunchangizni kengaytirishni xohlaysizmi? PDFdrive - bilimlar xazinasiga kirish eshigi! 🚀
🌟 Nima uchun PDFdrive?
📖 Keng to'plam: Turli mavzularni o'z ichiga olgan keng assortimentdagi kitoblardan foydalaning.
🧠 O'z tushunchangizni chuqurlashtiring: ilmiy, fantastika, tarix yoki boshqa soha bo'ladimi, PDFdrivedan topasiz.
🌐 Onlayn qulaylik: kitoblarni uydan turib o'rganing va yuklab oling.
Bu onlayn kutubxona resursdan ko'proq; bu sizning bilimingizni oshirish va intellektual sarguzashtlarga kirishish imkoniyatidir. 🚀
🔍 Qanday boshlash kerak:
🖥 www.pdfdrive.com saytiga tashrif buyuring.
📚 O'zingiz xohlagan mavzu yoki kitoblarni qidiring.
📥 Shaxsiy kutubxonangizni yuklab oling va boyiting. 🚀✨
📚 PDFdrive bilan bilimlar olamini kashf qiling! 🌐
Kitoblar dengiziga sho'ng'ishni va muayyan mavzular haqidagi tushunchangizni kengaytirishni xohlaysizmi? PDFdrive - bilimlar xazinasiga kirish eshigi! 🚀
🌟 Nima uchun PDFdrive?
📖 Keng to'plam: Turli mavzularni o'z ichiga olgan keng assortimentdagi kitoblardan foydalaning.
🧠 O'z tushunchangizni chuqurlashtiring: ilmiy, fantastika, tarix yoki boshqa soha bo'ladimi, PDFdrivedan topasiz.
🌐 Onlayn qulaylik: kitoblarni uydan turib o'rganing va yuklab oling.
Bu onlayn kutubxona resursdan ko'proq; bu sizning bilimingizni oshirish va intellektual sarguzashtlarga kirishish imkoniyatidir. 🚀
🔍 Qanday boshlash kerak:
🖥 www.pdfdrive.com saytiga tashrif buyuring.
📚 O'zingiz xohlagan mavzu yoki kitoblarni qidiring.
📥 Shaxsiy kutubxonangizni yuklab oling va boyiting. 🚀✨
Mercedes Maroto-Valer on making carbon dioxide useful
BBC Radio 4
Mercedes Maroto-Valer on making carbon dioxide useful
The Life Scientific
How do you solve a problem like CO2?
As the curtain closes on the world’s most important climate summit, we talk to a scientist who was at COP 28 and is working to solve our carbon dioxide problem.
Professor Mercedes Maroto-Valer thinks saving the planet is still Mission Possible - but key to success is turning the climate-busting gas, CO2, into something useful. And as Director of the Research Centre for Carbon Solutions at Heriot-Watt University and the UK’s Decarbonisation Champion, she has lots of innovative ideas on how to do this.
The Life Scientific
How do you solve a problem like CO2?
As the curtain closes on the world’s most important climate summit, we talk to a scientist who was at COP 28 and is working to solve our carbon dioxide problem.
Professor Mercedes Maroto-Valer thinks saving the planet is still Mission Possible - but key to success is turning the climate-busting gas, CO2, into something useful. And as Director of the Research Centre for Carbon Solutions at Heriot-Watt University and the UK’s Decarbonisation Champion, she has lots of innovative ideas on how to do this.
Scientists manufacture a surface that has virucidal properties but does not use any chemicals
https://phys.org/news/2024-01-scientists-surface-virucidal-properties-chemicals.html
https://phys.org/news/2024-01-scientists-surface-virucidal-properties-chemicals.html
phys.org
Scientists manufacture a surface that has virucidal properties but does not use any chemicals
A team of researchers from the URV and the RMIT University (Australia) has designed and manufactured a surface that uses mechanical means to mitigate the infectious potential of viruses. Made of silicon, ...
[UZ] 📚 Quvonarli yangilik! 🌟 2023-yil iyun oyida Pokistonlik hamkorimiz professor Aamir Shahzod tomonidan “Emerging Applications of Plasma Science in Allied Technologies” kitobiga bo‘lim yozish uchun taklif qilindim. 🚀 Kitob endi rasman nashr etildi va bizning "Saratonni davolashda termal bo'lmagan plazmani kompyuter simulyatsiyasi tadqiqotlari: kuchaytirilgan terapevtik samaradorlik uchun oqsil modifikatsiyalarini tushunish" bo'limimiz endi onlaynda mavjud!
👨🎓 Fidoyi shogirdim Davronjon Izzatulla Õğliga rahbarligimdagi mashaqqatli mehnati uchun alohida tashakkur va qimmatli hissasi uchun professor Zhitong Chenga chin dildan minnatdorchilik bildiraman.
🔍 Bizning bo'limning qisqacha mazmuni: Termal bo'lmagan plazma (NTP) hujayra signalizatsiyasiga ta'sir qilish va saraton hujayralarini tanlab nishonga olish orqali saraton kasalligini davolashda inqilob qilish arafasida. Bizning bo'lim NTP ning saratonni davolashda oqsillarga ta'siri bo'yicha so'nggi kompyuter simulyatsiyalari va tajribalarini o'rganib, uning salohiyatini optimallashtirish haqida tushuncha beradi. Saratonni shaxsiylashtirilgan davolash usullarining kelajagini shakllantiradigan molekulyar mexanizmlarni chuqur o'rganish uchun to'liq bobni o'qishingiz mumkin! https://www.igi-global.com/chapter/computer-simulation-studies-of-non-thermal-plasma-in-cancer-treatment/338042
📖 Qo'shimcha ma'lumot olish uchun ushbu havolaga o'ting: Bo'limni o'qing 🌐 #CancerResearch #BookCapter #InnovationInScience
👨🎓 Fidoyi shogirdim Davronjon Izzatulla Õğliga rahbarligimdagi mashaqqatli mehnati uchun alohida tashakkur va qimmatli hissasi uchun professor Zhitong Chenga chin dildan minnatdorchilik bildiraman.
🔍 Bizning bo'limning qisqacha mazmuni: Termal bo'lmagan plazma (NTP) hujayra signalizatsiyasiga ta'sir qilish va saraton hujayralarini tanlab nishonga olish orqali saraton kasalligini davolashda inqilob qilish arafasida. Bizning bo'lim NTP ning saratonni davolashda oqsillarga ta'siri bo'yicha so'nggi kompyuter simulyatsiyalari va tajribalarini o'rganib, uning salohiyatini optimallashtirish haqida tushuncha beradi. Saratonni shaxsiylashtirilgan davolash usullarining kelajagini shakllantiradigan molekulyar mexanizmlarni chuqur o'rganish uchun to'liq bobni o'qishingiz mumkin! https://www.igi-global.com/chapter/computer-simulation-studies-of-non-thermal-plasma-in-cancer-treatment/338042
📖 Qo'shimcha ma'lumot olish uchun ushbu havolaga o'ting: Bo'limni o'qing 🌐 #CancerResearch #BookCapter #InnovationInScience
Igi-Global
Computer Simulation Studies of Non-Thermal Plasma in Cancer Treatment: Understanding Protein Modifications for Enhanced Therapeutic…
Non-thermal plasma (NTP), the fourth state of matter, holds promise in altering biological matter, particularly in cancer treatment. NTP influences cell signaling by modifying key components, such as membranes, proteins, and DNA. It selectively targets cancer…
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[Uz] 🌐 Fan rivojida global hamkorlikni o'rni 🌍
Ilm-fan rivojlanishining dinamik landshafti so'nggi yigirma yil ichida mahalliy ko'rinishdan globalga miqyosga o'tdi. 👩🔬🌏 Hamkorlik - tadqiqotchilarning ulkan maqsadlariga erishish uchun muhim qadam bo'ldi.
🤝 Taxminan yarim yil bo'ldi, biz quydagi tadqiqotchilar bilan hamkorlikda ish boshladik:
🔬 Rodrigo Kordeyro (Universidade Federal do ABC, Braziliya),
🔬 Sesiliya Mariya (Antverpen universiteti) va
🔬 Maqsudbek Yusupov (Ion-plazma va lazer texnologiyalari instituti, Fanlar Akademiyasi, O'zbekiston).
Bizning umumiy vazifamiz? Kuch maydon potensialini parametrlash - molekulyar dinamika simulyatsiya qilishda muhim element bo'lib, model tizimlarining to'g'ri ko'rinishini ta'minlaydi. 🧪💻 Xususan, biz modifikatsiyalangan aminokislotalar uchun kuch maydoni parametrlarini ishlab chiqishni ko‘rib chiqdik, bu sohada parametrlar hali mavjud emas.
Kecha bo'lib o'tgan munozaralar masalani oldinga siljishida turtki bo'ldi. Biz o'zgartirilgan aminokislotalar uchun kuch maydoni parametrlarini ishlab chiqish bo'yicha strategiyalarni o'rganib chiqdik va rejalarni belgilab oldik. Bu harakat faqat bizning tadqiqotimiz bilan bog'liq emas balki ilmiy jamiyatga hissa qo‘shishdan iborat. Ushbu parametrlarni shakllantiris orqali biz boshqa tadqiqotchilarga molekulyar dinamikani ko'proq simulyatsiya qilish, oksi-nitro stresslar ostida oqsillarning murakkab tabiatini tushinish imkoniyatini berishni maqsad qilganmiz.
🚀 Ilm hamkorlik umumiy loyihalarga asoslangan bo'lsa, chegara bilmaydi. Keling, bilim sarhadlarini birga olg'a siljitishda davom etaylik! 🌐🔬
Ilm-fan rivojlanishining dinamik landshafti so'nggi yigirma yil ichida mahalliy ko'rinishdan globalga miqyosga o'tdi. 👩🔬🌏 Hamkorlik - tadqiqotchilarning ulkan maqsadlariga erishish uchun muhim qadam bo'ldi.
🤝 Taxminan yarim yil bo'ldi, biz quydagi tadqiqotchilar bilan hamkorlikda ish boshladik:
🔬 Rodrigo Kordeyro (Universidade Federal do ABC, Braziliya),
🔬 Sesiliya Mariya (Antverpen universiteti) va
🔬 Maqsudbek Yusupov (Ion-plazma va lazer texnologiyalari instituti, Fanlar Akademiyasi, O'zbekiston).
Bizning umumiy vazifamiz? Kuch maydon potensialini parametrlash - molekulyar dinamika simulyatsiya qilishda muhim element bo'lib, model tizimlarining to'g'ri ko'rinishini ta'minlaydi. 🧪💻 Xususan, biz modifikatsiyalangan aminokislotalar uchun kuch maydoni parametrlarini ishlab chiqishni ko‘rib chiqdik, bu sohada parametrlar hali mavjud emas.
Kecha bo'lib o'tgan munozaralar masalani oldinga siljishida turtki bo'ldi. Biz o'zgartirilgan aminokislotalar uchun kuch maydoni parametrlarini ishlab chiqish bo'yicha strategiyalarni o'rganib chiqdik va rejalarni belgilab oldik. Bu harakat faqat bizning tadqiqotimiz bilan bog'liq emas balki ilmiy jamiyatga hissa qo‘shishdan iborat. Ushbu parametrlarni shakllantiris orqali biz boshqa tadqiqotchilarga molekulyar dinamikani ko'proq simulyatsiya qilish, oksi-nitro stresslar ostida oqsillarning murakkab tabiatini tushinish imkoniyatini berishni maqsad qilganmiz.
🚀 Ilm hamkorlik umumiy loyihalarga asoslangan bo'lsa, chegara bilmaydi. Keling, bilim sarhadlarini birga olg'a siljitishda davom etaylik! 🌐🔬
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