scholarly journals Anion-π Catalysis: A Novel Supramolecular Approach for Chemical and Biological Transformations

2021 ◽  
Author(s):  
Ishfaq Ahmad Rather ◽  
Rashid Ali
Keyword(s):  
Activation Energy ◽  
Asymmetric Synthesis ◽  
Supramolecular Chemistry ◽  
Chemical Reaction ◽  
Activation Barrier ◽  
Significant Lowering ◽  
Π Interactions ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Catalysts by virtue of lowering the activation barrier helps in the completion of a chemical reaction in a lesser amount of time without being themselves consumed. Utilizing the diverse non-covalent interactions in the design and construction of catalysts, recently anion-π interactions were also introduced, giving rise to an emerging field of anion-π catalysis. In the newly constructed anion-π catalysts, significant lowering of activation energy occurs by virtue of anion-π interactions. Till now, several important reactions generating chiral centers have been carried out on the π-acidic surfaces of anion-π catalysts, thereby revealing the significance of anion-π catalysis in the domain of asymmetric synthesis. The motive of this chapter is to highlight the role of anion-π catalysis in asymmetric synthesis and we surely believe that it will offer new opportunities in supramolecular chemistry.

Role of non-covalent interactions in the supramolecular architectures of mercury(ii) diphenyldithiophosphates: An experimental and theoretical investigation

2021 ◽  
Vol 45 (4) ◽  
pp. 2249-2263
Author(s):  
Pretam Kumar ◽  
Snehasis Banerjee ◽  
Anu Radha ◽  
Tahira Firdoos ◽  
Subash Chandra Sahoo ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Supramolecular Organization ◽  
Π Interactions ◽  
Supramolecular Architectures ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The H-bond, spodium bond and CH⋯π interactions playing an important role in the supramolecular organization of two mercury(ii) diphenyldithiophosphate complexes have been discussed.

scholarly journals Studying physisorption processes and molecular friction of cycloparaphenylene molecules on graphene nano-sized flakes: role of π⋯π and CH⋯π interactions

2017 ◽  
Vol 2 (3) ◽  
pp. 253-262 ◽  
Author(s):  
A. Pérez-Guardiola ◽  
A. J. Pérez-Jiménez ◽  
J. C. Sancho-García
Keyword(s):  
Cost Effective ◽  
Π Interactions ◽  
Graphene Flakes ◽  
Non Covalent Interactions ◽  
Molecular Friction ◽  
Covalent Interactions

We theoretically study, by means of dispersion-corrected and cost-effective methods, the strength of non-covalent interactions between cyclic organic nanorings and nano-sized graphene flakes acting as substrates.

scholarly journals Advances in the Supramolecular Chemistry of Tetracoordinate Boron-Containing Organic Molecules into Organogels and Mesogens

2021 ◽  
Vol 9 ◽  
Author(s):  
Sanchita Shah ◽  
Parvati Marandi ◽  
P. P. Neelakandan
Keyword(s):  
Supramolecular Chemistry ◽  
Liquid Crystalline ◽  
Photophysical Properties ◽  
Building Blocks ◽  
Crystalline Materials ◽  
Π Interactions ◽  
Collective Attention ◽  
Non Covalent Interactions ◽  
Liquid Crystalline Materials ◽  
Covalent Interactions

Boron-containing organic compounds are well accepted as a class of compounds having excellent photophysical properties. In addition to the unique photophysical properties, the ease of synthesis and structural robustness make tetracoordinate boron complexes ideal for a variety of applications. While significant light has been thrown on their luminescence properties, there is no collective attention to their supramolecular chemistry. In this mini review, we discuss the progress made in the supramolecular chemistry of these compounds which includes their utility as building blocks for liquid crystalline materials and gels largely driven by various non-covalent interactions like H-bonding, CH-π interactions, BF-π interactions and Van der Waals forces. The organoboron compounds presented here are prepared from easy-to-synthesize chelating units such as imines, diiminates, ketoiminates and diketonates. Moreover, the presence of heteroatoms such as nitrogen, oxygen and sulfur, and the presence of aromatic rings facilitate non-covalent interactions which not only favor their formation but also helps to stabilize the self-assembled structures.

Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand

CrystEngComm ◽  
2015 ◽  
Vol 17 (25) ◽  
pp. 4680-4690 ◽  
Author(s):  
Prateeti Chakraborty ◽  
Suranjana Purkait ◽  
Sandip Mondal ◽  
Antonio Bauzá ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Base ◽  
Metal Complexes ◽  
Schiff Base Ligand ◽  
Self Assembly ◽  
The Self ◽  
Schiff Base Complexes ◽  
Π Interactions ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The role of non-covalent interactions in the self-assembly of Schiff-base complexes of ZnII, CuII and NiII has been investigated experimentally and theoretically with especial attention to unconventional C–H⋯π interactions involving pseudohalide coligands.

The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solution

2021 ◽  
Author(s):  
Sascha Jähnigen ◽  
Daniel Sebastiani ◽  
Rodolphe Vuilleumier
Keyword(s):  
Lactic Acid ◽  
Circular Dichroism ◽  
Computational Study ◽  
Bulk Water ◽  
Vibrational Circular Dichroism ◽  
Ab Initio Molecular Dynamics ◽  
Non Covalent Interactions ◽  
Circular Dichroïsm ◽  
Covalent Interactions

We present a computational study of vibrational circular dichroism (VCD) in solutions of (S)-lactic acid, relying on ab initio molecular dynamics (AIMD) and full solvation with bulk water. We discuss...

scholarly journals The role of non-covalent interactions on CO bulk oxidation on Pt single crystal electrodes in alkaline electrolytes

2015 ◽  
Vol 152 ◽  
pp. 38-43 ◽  
Author(s):  
Kensaku Kodama ◽  
Yu Morimoto ◽  
Dusan S. Strmcnik ◽  
Nenad M. Markovic
Keyword(s):  
Single Crystal ◽  
Alkaline Electrolytes ◽  
Non Covalent Interactions ◽  
Covalent Interactions

scholarly journals Binding From both sides: TolR and full-length OmpA bind and maintain the local structure of the E. coli cell wall

2018 ◽  
Author(s):  
Alister T. Boags ◽  
Firdaus Samsudin ◽  
Syma Khalid
Keyword(s):  
Cell Wall ◽  
Electrostatic Interactions ◽  
Cell Envelope ◽  
Binding Domain ◽  
Gram Negative Bacteria ◽  
Inner Membrane ◽  
E Coli ◽  
Non Covalent Interactions ◽  
Covalent Interactions

SUMMARYWe present a molecular modeling and simulation study of the of the E. coli cell envelope, with a particular focus on the role of TolR, a native protein of the E. coli inner membrane in interactions with the cell wall. TolR has been proposed to bind to peptidoglycan, but the only structure of this protein thus far is in a conformation in which the putative peptidoglycan binding domain is not accessible. We show that a model of the extended conformation of the protein in which this domain is exposed, binds peptidoglycan largely through electrostatic interactions. We show that non-covalent interactions of TolR and OmpA with the cell wall, from the inner membrane and outer membrane sides respectively, maintain the position of the cell wall even in the absence of Braun’s lipoprotein. When OmpA is truncated to remove the peptidoglycan binding domain, TolR is able to pull the cell wall down towards the inner membrane. The charged residues that mediate the cell-wall interactions of TolR in our simulations, are conserved across a number of species of Gram-negative bacteria.

The role of architectural engineering in macromolecular self-assemblies via non-covalent interactions: A molecular LEGO approach

2020 ◽  
Vol 103 ◽  
pp. 101230 ◽  
Author(s):  
Zebin Su ◽  
Ruimeng Zhang ◽  
Xiao-Yun Yan ◽  
Qing-Yun Guo ◽  
Jiahao Huang ◽  
...  
Keyword(s):  
Architectural Engineering ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Conformational preferences of N-acetyl-N′-methylprolineamide in different media: a 1H NMR and theoretical investigation

2019 ◽  
Vol 43 (4) ◽  
pp. 1757-1763 ◽  
Author(s):  
Carolyne B. Braga ◽  
Weslley G. D. P. Silva ◽  
Roberto Rittner
Keyword(s):  
1H Nmr ◽  
Theoretical Investigation ◽  
Conformational Preferences ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The conformational preferences and role of non-covalent interactions on the geometries of Ac–Pro–NHMe were elucidated in isolated phase and solution.

Computational insight into the cooperative role of non-covalent interactions in the aza-Henry reaction catalyzed by quinine derivatives: mechanism and enantioselectivity

2016 ◽  
Vol 14 (40) ◽  
pp. 9588-9597 ◽  
Author(s):  
Yunsheng Xue ◽  
Yuhui Wang ◽  
Zhongyan Cao ◽  
Jian Zhou ◽  
Zhao-Xu Chen
Keyword(s):  
Hydrogen Bonding ◽  
Dft Calculations ◽  
Ion Pair ◽  
Henry Reaction ◽  
Brönsted Acid ◽  
Non Covalent Interactions ◽  
Dual Activation ◽  
Covalent Interactions ◽  
Insight Into

DFT calculations reveal the viability of the two possible ion pair-hydrogen bonding and Brønsted acid-hydrogen bonding dual activation modes.

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