Selective complexation of alkaline earth metal ions with nanotubular cyclopeptides: DFT theoretical study-Reference-Cited by-同舟云学术

Selective complexation of alkaline earth metal ions with nanotubular cyclopeptides: DFT theoretical study

Published:2015 Issue:3 Volume:5 Page:2305-2317
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Shahangi Fereshte¹²³⁴,Chermahini Alireza Najafi¹²³⁴,Farrokhpour Hossein¹²³⁴,Teimouri Abbas⁵⁶⁷⁴

Affiliation:

1. Department of Chemistry

2. Isfahan University of Technology

3. Isfahan 84156-83111

4. Iran

5. Chemistry Department

6. Payame Noor University

7. 19395-4697 Tehran

Abstract

The interaction of alkaline earth metal cations including Be²⁺, Mg²⁺, Ca²⁺, Sr²⁺ and Ba²⁺ with cyclic peptides containing 3 or 4 (S) alanine molecules (CyAla3 and CyAla4) was investigated by density functional theory (DFT-CAM-B3LYP and DFT-B3LYP).

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C4RA08302D

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