Cucurbit [n] uril Host‐Guest Complexes of Acids, Photoacids, and Super Photoacids

DH Macartney - Israel Journal of Chemistry, 2018 - Wiley Online Library
The supramolecular chemistry of host‐guest complexes of cucurbit [n] urils (CB [n]) with
acidic guests in the ground (HG+) and excited states (HG+*) are reviewed. The effects of CB …

Synthesis of ZnAlTi-LDO supported C60@ AgCl nanoparticles and their photocatalytic activity for photo-degradation of Bisphenol A

L Ju, P Wu, Q Yang, Z Ahmed, N Zhu - Applied Catalysis B: Environmental, 2018 - Elsevier
ZnAlTi layered double oxide (ZnAlTi-LDO) supported C 60@ AgCl nanoparticles were
synthesized by the coprecipitation-light-induced method and their photocatalytic activity for …

Unravelling the nature of binding of cubane and substituted cubanes within cucurbiturils: A DFT and NCI study

NS Venkataramanan, A Suvitha, Y Kawazoe - Journal of Molecular Liquids, 2018 - Elsevier
The nature of interactions between the neutral, charged and substituted cubane, within
cucurbituril host were analyzed employing the dispersion corrected density functional …

Fullerene-Functionalized Monolayer-Protected Silver Clusters: [Ag29(BDT)12(C60)n]3– (n = 1–9)

P Chakraborty, A Nag, G Paramasivam, G Natarajan… - ACS …, 2018 - ACS Publications
We report the formation of supramolecular adducts between monolayer-protected noble
metal nanoclusters and fullerenes, specifically focusing on a well-known silver cluster,[Ag29 …

Synthesis and characterization of Fullerene modified ZnAlTi-LDO in photo-degradation of Bisphenol A under simulated visible light irradiation

L Ju, P Wu, X Lai, S Yang, B Gong, M Chen… - Environmental Pollution, 2017 - Elsevier
In this study, ZnAlTi layered double hydroxide (ZnAlTi-LDH) combined with fullerene (C 60)
was fabricated by the urea method, and calcined under vacuum atmosphere to obtain …

The degradation mechanism of Bisphenol A by photoelectrocatalysis using new materials as the working electrode

L Ju, P Wu, Y Ju, M Chen, S Yang, H Zhu - Surfaces and Interfaces, 2021 - Elsevier
A new material, C 60@ AgCl-LDO, is created for photoelectrically degrading Bisphenol A
(BPA). The core of this material is a C 60@ AgCl shell, which is supported by a ZnAlTi layer …

Encapsulation of sulfur, oxygen, and nitrogen mustards by cucurbiturils: a DFT study

NS Venkataramanan, S Ambigapathy - Journal of Inclusion Phenomena …, 2015 - Springer
A density functional theory analysis on the encapsulation of sulphur mustard (HD), oxygen
mustard (OM), and nitrogen mustard (N1) by cucurbit [7] uril (CB [7]) molecule was carried …

Computational molecular perspectives on the interaction of propranolol with β-cyclodextrin in solution: Towards the drug-receptor mechanism of interaction

AD Bani-Yaseen - Journal of Molecular Liquids, 2017 - Elsevier
Elucidating the mechanism of interaction between a drug molecule and its corresponding
receptors is of great importance. It had been demonstrated that Propranolol as a β-blocker …

Stability and Structural Analysis of A6R Polypeptide Nanosheets: A Theoretical Study Using the Classical Molecular Dynamics Simulation

B Proença, LBA Oliveira… - The Journal of Physical …, 2018 - ACS Publications
In this work, we have investigated the interactions of polypeptides composed of the
sequence of six alanines and one arginine (A6R) grouped in three nanosheet structures …

Structure, stability, and nature of bonding between high energy water clusters confined inside cucurbituril: A computational study

NS Venkataramanan, A Suvitha, R Sahara - Computational and Theoretical …, 2019 - Elsevier
The structure and stability of the high energy water molecules inside the CB7 cavity was
studied using the dispersion corrected density functional theory (DFT) and molecular …