• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

柯克伍德-巴夫四组分及更高组分混合物理论。

Kirkwood-Buff theory of four and higher component mixtures.

作者信息

Kang Myungshim, Smith Paul E

机构信息

Department of Chemistry, 111 Willard Hall, Kansas State University, Manhattan, Kansas 66506-3701, USA.

出版信息

J Chem Phys. 2008 Jun 28;128(24):244511. doi: 10.1063/1.2943318.

DOI:10.1063/1.2943318
PMID:18601352
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2671182/
Abstract

Explicit expressions are developed for the chemical potential derivatives, partial molar volumes, and isothermal compressibility of solution mixtures involving four components at finite concentrations using the Kirkwood-Buff theory of solutions. In addition, a general recursion relationship is provided which can be used to generate the chemical potential derivatives for higher component solutions.

摘要

利用柯克伍德-布夫溶液理论,推导出了有限浓度下包含四种组分的溶液混合物的化学势导数、偏摩尔体积和等温压缩率的显式表达式。此外,还给出了一个通用的递推关系,可用于生成更高组分溶液的化学势导数。

相似文献

1
Kirkwood-Buff theory of four and higher component mixtures.柯克伍德-巴夫四组分及更高组分混合物理论。
J Chem Phys. 2008 Jun 28;128(24):244511. doi: 10.1063/1.2943318.
2
On the Kirkwood-Buff inversion procedure.关于柯克伍德-巴夫反演方法。
J Chem Phys. 2008 Sep 28;129(12):124509. doi: 10.1063/1.2982171.
3
Kirkwood-Buff integrals: From fluctuations in finite volumes to the thermodynamic limit.柯克伍德-布法积分:从有限体积的涨落到热力学极限。
J Chem Phys. 2022 Oct 7;157(13):130901. doi: 10.1063/5.0106162.
4
Chemical potential derivatives and preferential interaction parameters in biological systems from Kirkwood-Buff theory.基于柯克伍德-布夫理论的生物系统中的化学势导数和优先相互作用参数
Biophys J. 2006 Aug 1;91(3):849-56. doi: 10.1529/biophysj.105.078790. Epub 2006 May 5.
5
The Kirkwood-Buff theory of solutions and the local composition of liquid mixtures.溶液的柯克伍德-布夫理论与液体混合物的局部组成
J Phys Chem B. 2006 Jun 29;110(25):12707-13. doi: 10.1021/jp060636y.
6
Kirkwood-Buff integrals for ideal solutions.理想溶液的 Kirkwood-Buff 积分。
J Chem Phys. 2010 Apr 28;132(16):164501. doi: 10.1063/1.3398466.
7
Various contributions to the osmotic second virial coefficient in protein-water-cosolvent solutions.蛋白质-水-共溶剂溶液中对渗透第二维里系数的各种贡献。
J Phys Chem B. 2008 Nov 20;112(46):14665-71. doi: 10.1021/jp803149t. Epub 2008 Aug 12.
8
Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields.Kirkwood-Buff 分析由 CHARMM 加性和 Drude 极化力场模拟的水 N-甲基乙酰胺和乙酰胺溶液。
J Chem Phys. 2013 Aug 28;139(8):084509. doi: 10.1063/1.4818731.
9
Extension of Kirkwood-Buff theory to solids and its application to the compressibility of fcc argon.柯克伍德-布夫理论向固体的扩展及其在面心立方氩可压缩性方面的应用。
J Chem Phys. 2021 Apr 28;154(16):164506. doi: 10.1063/5.0049673.
10
Protein Partial Molar Volumes in Multicomponent Solutions from the Perspective of Inverse Kirkwood-Buff Theory.从逆 Kirkwood-Buff 理论的角度看多组分溶液中的蛋白质偏摩尔体积。
J Phys Chem B. 2017 Jun 22;121(24):5897-5907. doi: 10.1021/acs.jpcb.7b02553. Epub 2017 Jun 9.

引用本文的文献

1
Computational Method for Determining the Excess Chemical Potential Using Liquid-Vapor Phase Coexistence Simulations.利用液-气相共存模拟确定过量化学势的计算方法。
J Phys Chem B. 2025 Jan 9;129(1):417-422. doi: 10.1021/acs.jpcb.4c07206. Epub 2024 Dec 20.
2
Deep Eutectic Solvents for Efficient Drug Solvation: Optimizing Composition and Ratio for Solubility of β-Cyclodextrin.用于高效药物溶解的深共熔溶剂:优化β-环糊精溶解度的组成和比例
Pharmaceutics. 2023 May 11;15(5):1462. doi: 10.3390/pharmaceutics15051462.
3
Kirkwood-Buff-Derived Force Field for Peptides and Proteins: Philosophy and Development of KBFF20.Kirkwood-Buff 衍生力场在多肽和蛋白质中的应用:KBFF20 的哲学与发展。
J Chem Theory Comput. 2021 May 11;17(5):2964-2990. doi: 10.1021/acs.jctc.1c00075. Epub 2021 Apr 20.
4
Direct Comparison of Amino Acid and Salt Interactions with Double-Stranded and Single-Stranded DNA from Explicit-Solvent Molecular Dynamics Simulations.基于显式溶剂分子动力学模拟对氨基酸和盐与双链及单链DNA相互作用的直接比较
J Chem Theory Comput. 2017 Apr 11;13(4):1794-1811. doi: 10.1021/acs.jctc.6b00883. Epub 2017 Mar 24.
5
Local fluctuations in solution mixtures.溶液混合物中的局部波动。
J Chem Phys. 2011 Jul 28;135(4):044506. doi: 10.1063/1.3615718.
6
Fluctuation theory of molecular association and conformational equilibria.分子缔合和构象平衡的涨落理论。
J Chem Phys. 2011 Jul 7;135(1):014502. doi: 10.1063/1.3601342.
7
Kirkwood-Buff integrals for ideal solutions.理想溶液的 Kirkwood-Buff 积分。
J Chem Phys. 2010 Apr 28;132(16):164501. doi: 10.1063/1.3398466.
8
Kirkwood-Buff theory of molecular and protein association, aggregation, and cellular crowding.克克伍德-布夫理论的分子和蛋白质缔合、聚集和细胞拥挤。
J Chem Phys. 2009 Oct 28;131(16):165101. doi: 10.1063/1.3253299.

本文引用的文献

1
Theory and computer simulation of solute effects on the surface tension of liquids.溶质对液体表面张力影响的理论与计算机模拟
J Phys Chem B. 2008 Jul 31;112(30):8975-84. doi: 10.1021/jp711062a. Epub 2008 Jul 9.
2
Recent applications of Kirkwood-Buff theory to biological systems.柯克伍德-布夫理论在生物系统中的最新应用。
Cell Biochem Biophys. 2008;50(1):1-22. doi: 10.1007/s12013-007-9005-0. Epub 2007 Nov 28.
3
A fluctuation theory analysis of the salting-out effect.盐析效应的涨落理论分析
J Phys Chem B. 2006 Nov 30;110(47):24077-82. doi: 10.1021/jp0656936.
4
The Hofmeister series and protein-salt interactions.霍夫迈斯特序列与蛋白质-盐相互作用。
J Chem Phys. 2006 Jun 21;124(23):234905. doi: 10.1063/1.2206174.
5
Chemical potential derivatives and preferential interaction parameters in biological systems from Kirkwood-Buff theory.基于柯克伍德-布夫理论的生物系统中的化学势导数和优先相互作用参数
Biophys J. 2006 Aug 1;91(3):849-56. doi: 10.1529/biophysj.105.078790. Epub 2006 May 5.
6
Equilibrium dialysis data and the relationships between preferential interaction parameters for biological systems in terms of Kirkwood-Buff integrals.平衡透析数据以及基于柯克伍德-布夫积分的生物系统优先相互作用参数之间的关系。
J Phys Chem B. 2006 Feb 16;110(6):2862-8. doi: 10.1021/jp056100e.
7
Relationship between preferential interaction of a protein in an aqueous mixed solvent and its solubility.蛋白质在水性混合溶剂中的优先相互作用与其溶解度之间的关系。
Biophys Chem. 2005 Dec 1;118(2-3):128-34. doi: 10.1016/j.bpc.2005.07.008. Epub 2005 Nov 2.
8
A protein molecule in an aqueous mixed solvent: fluctuation theory outlook.水混合溶剂中的蛋白质分子:涨落理论展望
J Chem Phys. 2005 Aug 1;123(5):054909. doi: 10.1063/1.2011388.
9
A contribution to the theory of preferential interaction coefficients.对优先相互作用系数理论的一项贡献。
Biophys J. 2005 Oct;89(4):2258-76. doi: 10.1529/biophysj.104.057331. Epub 2005 Jul 29.
10
The Kirkwood-Buff theory and the effect of cosolvents on biochemical reactions.柯克伍德-布夫理论及共溶剂对生化反应的影响。
J Chem Phys. 2004 Nov 8;121(18):9147-55. doi: 10.1063/1.1806402.