The potential of mean force of nitrous oxide in a 1,2-dimyristoylphosphatidylcholine lipid bilayer

Pinnick ER; Erramilli S; Wang F

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The potential of mean force of nitrous oxide in a 1,2-dimyristoylphosphatidylcholine lipid bilayer

机译：一氧化二氮在1,2-二肉豆蔻酰磷脂酰胆碱脂双层中的平均力势

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The free-energy profile for N2O in a hydrated 1,2-dimyristoylphosphatidylcholine (DMPC) phospholipid bilayer is calculated. The N2O molecule is preferentially concentrated in the tail region of the DMPC lipid and there is no free-energy barrier for the diffusion of N2O from an aqueous environment into the lipid. Although the dipole moment of N2O is rather small, our calculation indicates that the N2O partition coefficient is strongly influenced by electrostatic interactions. On the other hand, the van der Waals interaction overwhelms the steric effect and causes N2O concentration to be greatest at a location close to the beta-carbon of the 1-myristoyl group.

机译：计算了水合1,2-二肉豆蔻酰磷脂酰胆碱（DMPC）磷脂双层中N2O的自由能分布。 N2O分子优先集中在DMPC脂质的尾部区域，并且没有自由能垒，无法将N2O从水性环境扩散到脂质中。尽管N2O的偶极矩很小，但我们的计算表明，N2O分配系数受静电相互作用的强烈影响。另一方面，范德华相互作用使空间效应不堪重负，并使N2O浓度在靠近1-肉豆蔻酰基的β-碳的位置处最大。

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《Chemical Physics Letters》 |2010年第3期|共3页
作者
Pinnick ER; Erramilli S; Wang F;
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正文语种 eng
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MOLECULAR-DYNAMICS; DISTRIBUTIONS; ANESTHETICS; WATER;

机译：分子动力学;分布;麻醉;水;

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1. The potential of mean force of nitrous oxide in a 1,2-dimyristoylphosphatidylcholine lipid bilayer [J] . Pinnick ER, Erramilli S, Wang F Chemical Physics Letters . 2010,第1a3期

机译：一氧化二氮在1,2-二肉豆蔻酰磷脂酰胆碱脂双层中的平均力势
2. Potential of mean force for insertion of antimicrobial peptide melittin into a pore in mixed DOPC/DOPG lipid bilayer by molecular dynamics simulation [J] . Lyu Yuan, Xiang Ning, Zhu Xiao, The Journal of Chemical Physics . 2017,第15期

机译：分子动力学模拟将抗菌肽蛋白酶插入混合DOPC / DOPG脂质双层的孔中的平均力的潜力
3. Effects of protein binding on a lipid bilayer containing local anesthetic articaine, and the potential of mean force calculation: A molecular dynamics simulation approach [J] . Amjad-Iranagh S., Yousefpour A., Haghighi P., Journal of molecular modeling . 2013,第9期

机译：蛋白质结合对包含局麻药的脂质双层的影响以及平均力计算的潜力：一种分子动力学模拟方法
4. Effect of Pressure on the Phase Transitions of Dimyristoylphosphatidylethanolamine and Dimyristoylphosphatidylcholine Bilayers [C] . H. Ichimori, S. Endo, T. Hata, International conference on high pressure bioscience and biotechnology . 1999

机译：压力对二巯基磷脂酰乙醇胺和二苯甲酰磷脂酰胆碱双层双层的相变影响
5. Interaction Forces between Biomembranes: Surface Force Apparatus Studies of Supported Lipid Bilayers. [D] . Kurniawan, James. 2016

机译：生物膜之间的相互作用力：支持脂质双层的表面力仪器研究。
6. General hydrophobic interaction potential for surfactant/lipid bilayers from direct force measurements between light-modulated bilayers [O] . Stephen H. Donaldson Jr., C. Ted Lee Jr., Bradley F. Chmelka, 2011

机译：根据光调制双层之间的直接力测量表面活性剂/脂质双层的一般疏水相互作用势
7. General hydrophobic interaction potential for surfactant/lipid bilayers from direct force measurements between light-modulated bilayers [O] . Donaldson, Stephen H., Lee, C. Ted, Chmelka, Bradley F., 2011

机译：根据光调制双层之间的直接力测量，表面活性剂/脂质双层的一般疏水相互作用势
8. Structure of Polymerizable Lipid Bilayers. I-1,2-bis(10,12-tricosadiynoyl)-sn-glycero-3-phosphocholine, a Tubule-Forming Phosphatidylcholine. [R] . Rhodes, D. G., Blechner, S. L., Yager, P., 1988

机译：可聚合脂质双层膜的结构。 I-1,2-双（10,12-三十二炔酰基）-sn-甘油-3-磷酸胆碱，形成小管的磷脂酰胆碱。

The potential of mean force of nitrous oxide in a 1,2-dimyristoylphosphatidylcholine lipid bilayer

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