نتایج جستجو برای: روش am1 نیمه تجربی

تعداد نتایج: 392060  

Journal: :Journal of bacteriology 2005
Ludmila Chistoserdova Madeline E Rasche Mary E Lidstrom

Methylobacterium extorquens AM1 was used to explore the genetics of dephosphotetrahydromethanopterin (dH(4)MPT) biosynthesis. Strains with mutations in eight "archaeal-type" genes linked on the chromosome of M. extorquens AM1 were analyzed for the ability to synthesize dH(4)MPT, and six were found to be dH(4)MPT negative. Putative functions of these genes in dH(4)MPT biosynthesis are discussed.

Journal: :journal of physical & theoretical chemistry 2014
nasrin zeighami asadollah boshra mohammad reza gholami mehran aghaie

the doping reaction of truncated boron nitride and carbon nanotubes with aluminium atom wastheoretically investigated. the am1, pm3, and pm6 semiempirical methods have been used toevaluate the thermochemistry of doping reactions of single walled boron nitride nanotubes andcarbon nanotubes. the enthalpy changes, gibbs free energy changes, and entropy changes of studieddoping reactions were evalu...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه علوم پایه دامغان - دانشکده شیمی 1389

دمای بحرانی، دمایی است که در بالای آن دما هر چه فشار وارد بر یک گاز را افزایش دهیم تبدیل به مایع نمی شود. در این پروژه از سیستم استنتاج فازی- عصبی تطبیقی (anfis) برای پیشگویی دمای بحرانی 165 ترکیب آلی استفاده شد. ابتدا ساختار ترکیبات در نرم افزار hyper chem رسم و با روش نیمه تجربی am1 بهینه شدند، سپس با استفاده از نرم افزار dragon، 1497 توصیف کننده محاسبه شد. از روش مرحله ای به عنوان روش انتخاب...

Journal: : 2022

در این مقاله، به بررسی اثر پارامترهای کاری گوناگون بر شکل تپ‌های خروجی یک لیزر 2CO تپی فشار اتمسفری پرتکرار دست‌ساز (با آهنگ تکرار تا kHz 1) پرداخته شده است. راستا، عوامل گوناگونی هم­چون: نسبت گاز 2N، He و بازتابندگی آینه جلویی تغییر داده شدند انرژی گسیلی هر از حالت‌ها ثبت مشخصه‌یابی شدند. نشان شد که با گازهای 2N He، می‌توان دیرش زمانی میخه دنباله‌ی تپ‌ها را بازه‌ی ns 140-95 µs 5/3-5/1 تنظیم نم...

2015
Jessica Karlsson Carmine M. Morgillo Alessandro Deplano Giovanni Smaldone Emilia Pedone F. Javier Luque Mona Svensson Ettore Novellino Cenzo Congiu Valentina Onnis Bruno Catalanotti Christopher J. Fowler Alessio Lodola

BACKGROUND Combined fatty acid amide hydrolase (FAAH) and cyclooxygenase (COX) inhibition is a promising approach for pain-relief. The Flu-AM1 and Ibu-AM5 derivatives of flurbiprofen and ibuprofen retain similar COX-inhibitory properties and are more potent inhibitors of FAAH than the parent compounds. However, little is known as to the nature of their interaction with FAAH, or to the importanc...

Journal: :Dalton transactions 2012
Haixia Li Mingwei Wen Gang Lu Zhi-Xiang Wang

Frustrated Lewis pairs (FLPs) has been applied to catalytic metal-free hydrogenation. Can the FLP reactivity be used for catalytic hydroamination? Using density functional theory (DFT) calculations, we have explored whether the molecules cat1-cat3, which were previously designed by integrating the dearomatization-aromatization effect and the FLP reactivity, can catalyze the intramolecular hydro...

Journal: :Journal of medicinal chemistry 2003
Suresh B Singh Lucy Q Shen Matthew J Walker Robert P Sheridan

We have developed a rapid semiquantitative model for evaluating the relative susceptibilities of different sites on drug molecules to metabolism by cytochrome P450 3A4. The model is based on the energy necessary to remove a hydrogen radical from each site, plus the surface area exposure of the hydrogen atom. The energy of hydrogen radical abstraction is conventionally measured by AM1 semiempiri...

Journal: :Proteomics 2014
Dhirendra Kumar Anupam Kumar Mondal Amit Kumar Yadav Debasis Dash

Proteogenomics involves the use of MS to refine annotation of protein-coding genes and discover genes in a genome. We carried out comprehensive proteogenomic analysis of Methylobacterium extorquens AM1 (ME-AM1) from publicly available proteomics data with a motive to improve annotation for methylotrophs; organisms capable of surviving in reduced carbon compounds such as methanol. Besides identi...

2012
Tomoyuki Nakagawa Ryoji Mitsui Akio Tani Kentaro Sasa Shinya Tashiro Tomonori Iwama Takashi Hayakawa Keiichi Kawai

In the methylotrophic bacterium Methylobacterium extorquens strain AM1, MxaF, a Ca(2+)-dependent methanol dehydrogenase (MDH), is the main enzyme catalyzing methanol oxidation during growth on methanol. The genome of strain AM1 contains another MDH gene homologue, xoxF1, whose function in methanol metabolism has remained unclear. In this work, we show that XoxF1 also functions as an MDH and is ...

Journal: :IEEE Trans. Geoscience and Remote Sensing 1998
Yoram J. Kaufman David D. Herring K. Jon Ranson G. James Collatz

In 1998, NASA launches EOS-AM1, the first of a series of the Earth Observing System (EOS) satellites. EOS will monitor the evolution of the state of the earth for 18 years, starting with the morning observations of EOS-AM1 (10:30 a.m. equatorial crossing time). An integrated view of the earth, as planned by EOS, is needed to study the interchange of energy, moisture, and carbon between the land...

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