Towards capturing cellular complexity: combining encapsulation and macromolecular crowding in a reverse micelle
Literature Information
Philipp Honegger, Othmar Steinhauser
Confinement and macromolecular crowding are acknowledged to be fundamental for the understanding of biomolecular systems. This computational study combines these two phenomena by investigating a multi-protein system encapsulated in a reverse micelle. Contemporary controversies regarding force field accuracy with respect to hydration in such systems were addressed by scaling the non-bonded, non-charged interaction of water with the surfaces, i.e. protein and surfactant (λ-scaling). While based on extensive atomistic simulations, our analysis is of mesoscopic nature with a focus on dielectric properties since recent experimental studies have gained insight on protein mutual orientation via dielectric permittivity. We find two dielectric mechanisms, one allowing for parallel and orthogonal protein dipole alignment while the other leads to preferred anti-parallel alignment. Which mechanism actually occurs is decided by the degree of hydration of both the proteins and the capsule interface. We raise the question whether the findings for reverse micelles can be transferred to biological cells. The embedding in the highly polar outside medium plays an important role in the answer.
Related Literature
Crystal structure of tricyclo-DNA: an unusual compensatory change of two adjacent backbone torsion angles
Pradeep S. Pallan, Damian Ittig, Annie Héroux, Zdzislaw Wawrzak, Christian J. Leumann, Martin Egli
DOI: 10.1039/B716390H
A new, simple approach to confer permanent antimicrobial properties to hydroxylated surfaces by surface functionalization
Othman Bouloussa
DOI: 10.1039/B716026G
One-step coating of fluoro-containing silicananoparticles for universal generation of surface superhydrophobicity
Hongxia Wang, Jian Fang, Tong Cheng, Jie Ding, Liangti Qu, Liming Dai, Xungai Wang, Tong Lin
DOI: 10.1039/B714352D
2,2′-Disubstituted F12binaphthyl derivatives: stannanes, boranes, and (R)-F12BINOL
Darryl J. Morrison, Susanne D. Riegel, Warren E. Piers, Masood Parvez, Robert McDonald
DOI: 10.1039/B605716K
Unprecedented twofold intramolecular hydroamination in diam(m)ine-dicarboxylatodichloridoplatinum(iv) complexes – ethane-1,2-diaminevs.ammine ligands
Michael R. Reithofer, Mathea S. Galanski, Vladimir B. Arion, Bernhard K. Keppler
DOI: 10.1039/B715680D
Cu-catalyzed regioselective carbomagnesiation of dienes and enynes with sec- and tert-alkyl Grignard reagents
Hirohisa Todo, Jun Terao, Hideyuki Watanabe, Hitoshi Kuniyasu, Nobuaki Kambe
DOI: 10.1039/B716678H
[Zn(H2O)4][Zn2Sn3Se9(MeNH2)]: a robust open framework chalcogenide with a large nonlinear optical response
Manolis J. Manos, Joon I. Jang, John B. Ketterson, Mercouri G. Kanatzidis
DOI: 10.1039/B712732D
A novel porous carbon based on diatomaceous earth
S. M. Holmes, B. E. Graniel-Garcia, P. Foran, P. Hill, E. P. L. Roberts, B. H. Sakakini, J. M. Newton
DOI: 10.1039/B600708B
You might also like
Are there alternatives to 1-(4-Chlorophenyl)-N-hydroxymethanimine (CAS: 3848-36-0) in synthesis?
When considering alternatives to 1-(4-Chlorophenyl)-N-hydroxymethanimine (CAS: 3...
How should (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1~6,9~.0~2,7~]tetracosa-2,5,7,14-tetraen-4-one (CAS: 183202-73-5) be stored?
This compound should be stored in a cool, dry place away from direct sunlight. I...
How is 3-(4-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (CAS: 419553-16-5) typically synthesized?
3-(4-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is synthesized through a m...
How is 5-Chloro-2-(4-chlorophenyl)-4-methyl-6-[3-(1-piperidinyl)propoxy]pyrimidine (CAS: 1639220-19-1) typically synthesized?
5-Chloro-2-(4-chlorophenyl)-4-methyl-6-[3-(1-piperidinyl)propoxy]pyrimidine (CAS...
What industries use 2-Chloro-4-(difluoromethoxy)pyridine (CAS: 1206978-15-5)?
2-Chloro-4-(difluoromethoxy)pyridine is used in the pharmaceutical industry for ...
What regulatory guidelines apply to 3-Chloro-6-methylpyridazine (CAS: 1121-79-5)?
3-Chloro-6-methylpyridazine (CAS: 1121-79-5) is classified under the Globally Ha...
Are there alternatives to Methyl 4,5-dimethyl-2-nitrobenzoate in synthesis?
Several alternatives can be used in the synthesis of Methyl 4,5-dimethyl-2-nitro...
Are there alternatives to (2E,2'E)-3,3'-(1,4-Phenylene)bisacrylaldehyde in synthesis?
Alternatives to (2E,2'E)-3,3'-(1,4-Phenylene)bisacrylaldehyde include other acry...
What is 3-Amino-5-chloropyridin-2-ol hydrochloride (CAS: 1261906-29-9)?
3-Amino-5-chloropyridin-2-ol hydrochloride is an organic compound with the CAS n...
What precautions should be taken when handling 6,7-Difluoro-2,3-dihydro-4H-chromen-4-one (CAS: 1092349-93-3)?
When handling 6,7-Difluoro-2,3-dihydro-4H-chromen-4-one, it is essential to wear...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![6-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine structure 6-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine structure](https://static.chemtradehub.com/structs/120/1203499-17-5-b4d1.webp)



