pH-triggered changes in the supramolecular self-assembly of Cu(II) malonate complexes

Choudhury, Somnath Ray; Jana, Atish Dipankar; Chen, Chih-Yuan; Dutta, Arghya; Colacio, Enrique; Lee, Hon Man; Mostafa, Golam; Mukhopadhyay, Subrata

doi:10.1039/b802723d

Cited by 30 publications

(34 citation statements)

References 50 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It should also be noted that only in the structures of [Cu(mal) 2 ] · Im · 2 H 2 O (Im = imidazole) and (NH 4 ) 2 [Cu(mal) 2 ] are the lateral contacts Cu–O less than 2.5 Å, giving robust layers and frameworks with coordination formula AT 11 2 and simple underlying nets of 4‐c sql and dia topologies, respectively (Figure S1b in the Supporting Information). In the compounds Kt[Cu(mal) 2 ] the weaker lateral Cu–O (2.5–3.2 Å) interactions caused by Jahn–Teller distortions usually lead to incorporation of the {Cu(mal) 2 } 2– complexes into chains [Kt + = 1,2‐bis(4‐pyridinium), adeninium cations] and layers (Kt + = H + , 2‐amino‐4‐picolinium, 2‐amino‐4‐methylpyridinium, methylammonium, propane‐1,3‐diammonium, diethanolammonium cations) , . Similarly in the complex 2 , the {Cu(Me 2 mal) 2 } groups are incorporated into simple chains (if Li–O bonds are ignored, Figure ) through long Cu–O contacts (2.944 Å).…”

Section: Resultsmentioning

confidence: 99%

Chemical Design of Heterometallic Coordination Polymers Based on {Cu(Me₂mal)₂} Fragment

et al. 2016

View full text Add to dashboard Cite

Topological methods of analysis of coordination networks have become an integral part of design of coordination polymers, MOFs, and zeolites. It helps to chemists to understand the novelty of findings, to reveal relations between different structures, to propose new design concepts, and to communicate effectively with each other. However, this is not the limit of the methods. Description of coordination environment of structural units (metal atoms, ligands, SBUs), network topology (topological type), and topology of entanglement (entanglement pattern) intrinsically leads to finding relations between the topological parameters. Further, the correlations can be grouped (systematized) in a hierarchical manner to produce a knowledge database for design and prediction of new materials (their structure and properties) [1, 2]. Thus, new structural characteristics, the so-called descriptors, have to be invented for prediction of particular structural features. For example, we have proposed to use topological type of Hopf ring net for analysis of topology entanglements in coordination networks. Now we put forward Extended ring net (ERN), which incorporates information about topology of entangled nets and topology of entanglements. ERN is able to distinguish patterns of entanglements up to isomorphism and polymorphism, that allowed us to describe new type of isomerism of coordination polymers, entanglement isomerism. MOF structures are usually considered as a result of assembly of secondary building units in an isoreticular manner. Usually SBU is considered as a topologically dense 0D polynuclear complex group, which coordination figure is predetermined by orientation of points of extension (functional groups of ligands connected by linkers). However, many practically important MOFs contain infinite SBUs; e.g. rod-shaped 1D {AlOH(CO2)2} groups are connected by benzene linkers in parallel fashion into framework MIL-53. We have produced a comprehensive systematics of infinite SBUs and ways for their connection with new algorithms of rod-MOFs description as 2D net of rods connections. Selection of correct structural groups is also important for design of self-catenated networks. We proposed a universal algorithm for selection of all reasonable subnets and determining the structure driving ones. To describe the geometry and topology of voids and channels in porous structures we combined topological methods and Voronoi partitioning. The improved Voronoi partitioning provides much more characteristics of porous structures, e.g. periodicity, topology and crystallographic orientation of channels, minimal cages of framework, open sights of metal atoms etc. These descriptors give us an opportunity to define metal-organic nanotube as a 1-periodic tiling of face-shared 3D tiles. To enhance the usability of the results of topological analysis we collected values of descriptors into a knowledge database [2]. The database was applied in finding relations between topological parameters for heterometallic coordination polymers based on {C...

show abstract

Section: Resultsmentioning

confidence: 99%

Chemical Design of Heterometallic Coordination Polymers Based on {Cu(Me₂mal)₂} Fragment

et al. 2016

View full text Add to dashboard Cite

show abstract

“…Copper complex [Cu(mal) 2 ](picH) 2 $2H 2 O (Fig. 1) having established supramolecular structure in the solid state 36 has been shown to bind with DNA. 1 In the present study, the possible cytotoxicity of the complex and its mechanism of action have been explored on the human cell lines.…”

Section: Resultsmentioning

confidence: 99%

“…The solid state structure of Cu(II)-complex reveals that the Cu(II)-malonate units are hydrogen bonded with the protonated picoline moieties and crystal waters through the oxygen atoms. 36,83 In the culture condition (aqueous solution), under physiological pH, the speciation would thus be [Cu(mal) 2 ] 2À and picH + (both hydrated). 84 So our data effectively for the first time demonstrated the detailed mechanistic study of a Cu(II)-malonate complex on human cell-lines, having a cumulative charge of (À2).…”

Section: Discussionmentioning

confidence: 99%

“…The title Cu(II)-complex was synthesized in Prof. Subrata Mukhopadhyay's laboratory (Department of Chemistry, Jadavpur University), using the method described previously. 36 The Cu(II)-complex is readily soluble in water while purified 2-amino-4-picoline (henceforth, picoline, Sigma) requires slight warming. These were separately dissolved at a concentration of 10 mM (stock) in double distilled water and all further dilutions were made freshly in the respective medium.…”

Section: Reagents Antibodies and Plasmidmentioning

confidence: 99%

“…35 A water soluble Cu(II) complex, [Cu(mal) 2 ](picH) 2 $2H 2 O, was synthesized and characterized, drawn interest to the crystal engineers for its remarkable supramolecular features in the solidstate. 36 Our previous in vitro study showed that the complex interacts with DNA as a partial intercalator as well as a partial minor groove binder. 1 However, in the present work, we have provided evidence that the complex can induce death in HeLa, HepG2 and THP1 cells in a dose and time dependent manner.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

A novel Cu(ii)–mal–picoline complex induces mitotic catastrophe mediated by deacetylation of histones and α-tubulin leading to apoptosis in human cell lines

et al. 2012

View full text Add to dashboard Cite

M^II–Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Experimental Observation, Hirshfeld Surface Analysis and Theoretical Study

Mitra

Seth²,

Choudhury

et al. 2013

Eur J Inorg Chem

View full text Add to dashboard Cite

A MgII complex containing malonate as the primary ligand and 4‐aminopyridine as the secondary ligand (counter ion), namely (ampyH)2[Mg(mal)2(H2O)2] (1; ampyH = protonated 4‐aminopyridine, malH2 = malonic acid), has been synthesized from purely aqueous media just by mixing the reactants in their stoichiometric proportions. Its crystal structure was determined by single‐crystal X‐ray diffraction. In 1, monomeric metal malonate units [Mg(mal)2(H2O)2]2– are interlinked through hydrogen bonds to generate infinite 2D supramolecular sheets. These supramolecular sheets are bridged by 4‐aminopyridine molecules to generate a 3D structure. Similar complexes containing 4‐aminopyridine as the secondary ligand (counter ion) show an identical self‐assembly process, except for the copper analogue, which was found to be polymeric in nature. By means of DFT theoretical calculations (BP86‐D3/def2‐TZVPD), we provide a plausible explanation for this different behaviour and present an energetic analysis of the complexes. The Hirshfeld surfaces of the Mg structure and related Cu, Ni and Co structures were analyzed to clarify the nature of the intermolecular interactions.

show abstract

pH-triggered changes in the supramolecular self-assembly of Cu(II) malonate complexes

Cited by 30 publications

References 50 publications

Chemical Design of Heterometallic Coordination Polymers Based on {Cu(Me₂mal)₂} Fragment

Chemical Design of Heterometallic Coordination Polymers Based on {Cu(Me₂mal)₂} Fragment

A novel Cu(ii)–mal–picoline complex induces mitotic catastrophe mediated by deacetylation of histones and α-tubulin leading to apoptosis in human cell lines

M^II–Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Experimental Observation, Hirshfeld Surface Analysis and Theoretical Study

Contact Info

Product

Resources

About

pH-triggered changes in the supramolecular self-assembly of Cu(II) malonate complexes

Cited by 30 publications

References 50 publications

Chemical Design of Heterometallic Coordination Polymers Based on {Cu(Me2mal)2} Fragment

Chemical Design of Heterometallic Coordination Polymers Based on {Cu(Me2mal)2} Fragment

A novel Cu(ii)–mal–picoline complex induces mitotic catastrophe mediated by deacetylation of histones and α-tubulin leading to apoptosis in human cell lines

MII–Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Experimental Observation, Hirshfeld Surface Analysis and Theoretical Study

Contact Info

Product

Resources

About

Chemical Design of Heterometallic Coordination Polymers Based on {Cu(Me₂mal)₂} Fragment

Chemical Design of Heterometallic Coordination Polymers Based on {Cu(Me₂mal)₂} Fragment

M^II–Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Experimental Observation, Hirshfeld Surface Analysis and Theoretical Study