Minimalist molecular model for nanopore selectivity.

Authors:
Dr. Mauricio Carrillo-Tripp, PhD
Dr. Mauricio Carrillo-Tripp, PhD
Biomolecular Diversity Laboratory, Cinvestav
Associate Profesor
Computational Biophysics
Irapuato, Guanajuato | México

Phys Rev Lett 2004 Oct 14;93(16):168104. Epub 2004 Oct 14.

Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Avenida Universidad 1001, 62210 Cuernavaca, Morelos, México.

Using a simple model it is shown that the cost of constraining a hydrated potassium ion inside a narrow nanopore is smaller than the cost of constraining the smaller hydrated sodium ion. The former allows for a greater distortion of its hydration shell and can therefore maintain a better coordination. We propose that in this way the larger ion can go through narrow pores more easily. This is relevant to the molecular basis of ion selective nanopores and since this mechanism does not depend on the molecular details of the pore, it could also operate in all sorts of nanotubes, from biological to synthetic.

Download full-text PDF

Source
http://dx.doi.org/10.1103/PhysRevLett.93.168104DOI Listing

Still can't find the full text of the article?

Sign up to send a request to the authors directly.
October 2004
18 Reads
5 PubMed Central Citations(source)
7.51 Impact Factor

Publication Analysis

Top Keywords

cost constraining
8
greater distortion
4
molecular basis
4
pore operate
4
distortion hydration
4
details pore
4
hydration shell
4
allows greater
4
operate sorts
4
hydrated sodium
4
sorts nanotubes
4
sodium ion
4
basis ion
4
ion allows
4
shell maintain
4
smaller hydrated
4
ion narrow
4
larger ion
4
mechanism depend
4
narrow pores
4

References

(Supplied by CrossRef)
Article in J. Physiol.
A. L. Hodgkin et al.
J. Physiol. 1952
Article in Biophys. J.
T. W. Allen et al.
Biophys. J. 1999
Article in Biochemistry
L. Guidoni et al.
Biochemistry 1999
Article in Biophys. J.
I. H. Shrivastava et al.
Biophys. J. 2000
Article in Biophys. J.
I. H. Shrivastava et al.
Biophys. J. 2000
Article in Biophys. J.
S. Bernèche et al.
Biophys. J. 2000

Similar Publications

Cryptic sequence features in the active postmortem transcriptome.

BMC Genomics 2018 Sep 14;19(1):675. Epub 2018 Sep 14.

City of Hope, Information Sciences - Beckman Research Institute, 4920 Rivergrade Rd., Irwindale, CA, 91706, USA.

Background: Our previous study found that more than 500 transcripts significantly increased in abundance in the zebrafish and mouse several hours to days postmortem relative to live controls. The current literature suggests that most mRNAs are post-transcriptionally regulated in stressful conditions. We rationalized that the postmortem transcripts must contain sequence features (3- to 9- mers) that are unique from those in the rest of the transcriptome and that these features putatively serve as binding sites for proteins and/or non-coding RNAs involved in post-transcriptional regulation. Read More

View Article
September 2018
42 Reads
3.99 Impact Factor

Direct observation of Medicaid beneficiary attempts to fill prescriptions for nicotine replacement medications.

J Am Pharm Assoc (2003) 2018 Jul - Aug;58(4):432-437. Epub 2018 Apr 22.

Objectives: Although many states have expanded Medicaid coverage of cessation medications, utilization remains low. Anecdotal reports suggest that beneficiaries are at times denied coverage of cessation medications at the pharmacy counter. We conducted an observational community-wide case study of Medicaid beneficiary attempts to fill over-the-counter nicotine replacement therapy at pharmacies. Read More

View Article
April 2018
40 Reads

Chemical reaction dynamics.

Chem Soc Rev 2017 Dec;46(24):7481-7482

State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.

View Article
December 2017
37 Reads
33.38 Impact Factor

Activity of 2-(quinolin-4-yloxy)acetamides in Mycobacterium tuberculosis clinical isolates and identification of their molecular target by whole-genome sequencing.

Int J Antimicrob Agents 2018 Mar 23;51(3):378-384. Epub 2017 Aug 23.

Instituto Nacional de Ciência e Tecnologia em Tuberculose (INCT-TB), Centro de Pesquisas em Biologia Molecular e Funcional, Pontifícia Universidade Católica do Rio Grande do Sul, PUCRS, Av. Ipiranga 6681 - Prédio 92A Tecnopuc, Porto Alegre, RS 90619-900, Brazil; Programa de Pós-Graduação em Biologia Celular e Molecular, PUCRS, Porto Alegre, Brazil.

The 2-(quinolin-4-yloxy)acetamides (QOAs) have been reported to be promising molecules for tuberculosis treatment. Recent studies demonstrated their potent antimycobacterial activity, biological stability and synergism with rifampicin. The identification of the molecular target is an essential step towards the development of a novel drug candidate. Read More

View Article
March 2018
62 Reads
2 PubMed Central Citations(source)
4.30 Impact Factor

Covalent inhibition of protein tyrosine phosphatases.

Mol Biosyst 2017 Jun;13(7):1257-1279

Department of Medicinal Chemistry and Molecular Pharmacology, Department of Chemistry, Center for Cancer Research, and Institute for Drug Discovery, Purdue University, 720 Clinic Drive, West Lafayette, IN 47907, USA.

Protein tyrosine phosphatases (PTPs) are a large family of 107 signaling enzymes that catalyze the hydrolytic removal of phosphate groups from tyrosine residues in a target protein. The phosphorylation status of tyrosine residues on proteins serve as a ubiquitous mechanism for cellular signal transduction. Aberrant function of PTPs can lead to many human diseases, such as diabetes, obesity, cancer, and autoimmune diseases. Read More

View Article
June 2017
57 Reads