Construction of Supramolecular Assemblies from Substituted Pyrazoles and Pyromellitic Acid: Rational Analysis of the Synthons and Theoretical Studies

2017 ◽  
Vol 47 (3-4) ◽  
pp. 69-79 ◽  
Author(s):  
Udai P. Singh ◽  
Kapil Tomar ◽  
Sujata Kashyap ◽  
Pankaj Verma
Keyword(s):  
Supramolecular Assemblies ◽  
Theoretical Studies ◽  
Rational Analysis ◽  
Pyromellitic Acid ◽  
Substituted Pyrazoles

Unconventional DNA-relevant π-stacked hydrogen bonded arrays involving supramolecular guest benzoate dimers and cooperative anion–π/π–π/π–anion contacts in coordination compounds of Co(ii) and Zn(ii) phenanthroline: experimental and theoretical studies

2020 ◽  
Vol 44 (11) ◽  
pp. 4504-4518 ◽  
Author(s):  
Manjit K. Bhattacharyya ◽  
Utpal Saha ◽  
Debajit Dutta ◽  
Antonio Frontera ◽  
Akalesh K. Verma ◽  
...  
Keyword(s):  
Coordination Compounds ◽  
Supramolecular Assemblies ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies ◽  
Hydrogen Bonded

Antiproliferative evaluation and supramolecular assemblies of Co(ii) and Zn(ii) coordination compounds involving cooperative anion–π and unconventional DNA-relevant π-stacked hydrogen bonded arrays.

Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis

CrystEngComm ◽  
2015 ◽  
Vol 17 (6) ◽  
pp. 1421-1433 ◽  
Author(s):  
Udai P. Singh ◽  
Kapil Tomar ◽  
Sujata Kashyap
Keyword(s):  
Experimental Data ◽  
Structural Analysis ◽  
Thermogravimetric Analysis ◽  
Interaction Energy ◽  
Theoretical Calculations ◽  
Tricarboxylic Acid ◽  
Supramolecular Assemblies ◽  
Substituted Pyrazoles

Reaction of benzene-1,3,5-tricarboxylic acid (H3BTC) with various 3,5-substituted pyrazoles resulted in different host guest assemblies. Theoretical calculations were used to calculate the interaction energy and their comparison with the experimental data obtained through thermogravimetric analysis.

Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and theoretical studies

2020 ◽  
Vol 49 (28) ◽  
pp. 9863-9881 ◽  
Author(s):  
Hiren Nath ◽  
Debajit Dutta ◽  
Pranay Sharma ◽  
Antonio Frontera ◽  
Akalesh K. Verma ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Coordination Compounds ◽  
Water Clusters ◽  
Supramolecular Assemblies ◽  
Ros Generation ◽  
Theoretical Studies ◽  
Square Grid

Novel adipato bridged Cu(ii) and Co(ii) complexes synthesized by considering cytotoxicity, apoptosis, ROS generation, molecular docking and pharmacophore features.

Supramolecular Assemblies involving Biologically relevant Antiparallel π-stacking and Unconventional Solvent Driven Structural Topology in Maleato and Fumarato bridged Zn(II) Coordination Polymers: Antiproliferative Evaluation and Theoretical Studies

2021 ◽  
Author(s):  
Amal Das ◽  
Pranay Sharma ◽  
Antonio Frontera ◽  
Miquel Barceló-Oliver ◽  
Akalesh K. Verma ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Supramolecular Assemblies ◽  
Theoretical Studies ◽  
Structural Topology ◽  
Biologically Relevant ◽  
Π Stacking

Two new coordination polymers of Zn(II) viz.; {[Zn(Hdmpz)2(μ-male)]•(MeOH)(H2O)}n (1) and [Zn(3-AMpy)2(μ-fum)(H2O)2]n (2) (where, Hdmpz = 3,5-dimethyl pyrazole, male = maleate, fum = fumarate, 3-AMpy = 3-aminopyridine) have been synthesized and...

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