Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity

CH Suresh, GS Remya… - Wiley Interdisciplinary …, 2022 - Wiley Online Library
The molecular electrostatic potential (MESP) V (r) data derived from a reliable quantum
chemical method has been widely used for the interpretation and prediction of various …

Synthesis and separation of cucurbit [n] urils and their derivatives

H Cong, XL Ni, X **ao, Y Huang, QJ Zhu… - Organic & …, 2016 - pubs.rsc.org
Cucurbit [n] uril chemistry has become an important part of contemporary supramolecular
chemistry since cucurbit [n] urils (Q [n] s) are not only able to encapsulate various guests, but …

Twisted cucurbit [14] uril.

XJ Cheng, LL Liang, K Chen, NN Ji… - Angewandte …, 2013 - search.ebscohost.com
Since the structure of the cucurbituril (Q [6]), a cyclic oligomer of 6 units of glycoluril linked by
12 methylene bridges, was first determined by Mock and co-workers in 1981,[1] a series of …

Theoretical prediction of the complexation behaviors of antitumor platinum drugs with cucurbiturils

NS Venkataramanan, S Ambigapathy… - The Journal of …, 2012 - ACS Publications
The inclusion complex formation ability between CB [n](n= 6–9) and Pt-drugs (oxaliplatin,
nedaplatin, carboplatin, and cisplatin) in gas phase as well as water phases has been …

Computational study on the interactions of mustard gas with cucurbituril macrocycles

NS Venkataramanan, A Suvitha… - … Journal of Quantum …, 2015 - Wiley Online Library
The study on the absorption of toxic gases such as mustard gas by organic host is essential
to the development of inexpensive detection and decontamination equipments. Using …

Advancement in supramolecular control of organic reactivity induced by cucurbit[n]urils

K Droguett, GE Quintero, JG Santos… - Journal of Inclusion …, 2023 - Springer
Abstract This Review Article covers advances over the past two decades in the field of the
organic modulation reactivity by supramolecular hosts. Specifically, the scope of this review …

Density functional theory investigations on binding and spectral features of complexes of ferrocenyl derivatives with cucurbit [7] uril

SS Rao, DN Lande, SP Gejji - Journal of Molecular Liquids, 2016 - Elsevier
Host–guest interactions between ferrocene (Fc) and its derivatives containing electron
donating and electron withdrawing substituents viz., 2-ferrocenyl benzoxazole (FcOz) or 2 …

Study on geometry and chemical activity of twisted cucurbit [13] uril based on density functional theory

Y Lin, Y Tang, D Yang, J Su - Chemical Papers, 2022 - Springer
Density functional theory (DFT) has been applied to explore the geometry and chemical
activity at the b3lyp/6-311g (d) level. The calculation results of geometry show that the …

Multi-component interaction between bisstyryl dyes and cucurbit [7] uril

AY Ruleva, YV Fedorov, TM Aliev, VV Novikov… - Journal of Inclusion …, 2020 - Springer
In this paper, we report the interaction of the cucurbit [7] uril (CB [7]) molecular container with
bisstyryl dyes,(E)-1, 1′-(propane-1, 3-diyl) bis (4-(4-methoxystyryl) pyridinium) bromide (1) …

[PDF][PDF] Синтез и исследование кукурбитурилов: магистерская диссертация по направлению подготовки: 04.04. 01-Химия

ДМ Носков - 2021 - vital.lib.tsu.ru
Кукурбитурил служит исходным реагентом для синтеза супрамолекулярных систем. Из-
за его высокой способности связываться с другими частицами, он образует …