A one-dimensional supramolecular chain based on [H2V10O28]4− units decorated with 4-dimethylaminopyridinium ions: an experimental and theoretical characterization

Sánchez-Lara, Eduardo; Martínez-Valencia, Beatriz; Corona-Motolinia, Nidia D.; Sánchez-Gaytán, Brenda L.; Castro, María Eugenia; Bernès, Syl­vain; Méndez‐Rojas, Miguel A.; Meléndez-Bustamante, Francisco J.; González‐Vergara, Enrique

doi:10.1039/c9nj02097g

Cited by 11 publications

(6 citation statements)

References 52 publications

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“…The cyclic hydrogen bond O

H shows an upper spike in the fingerprint plot associated with the donor oxygen atoms and the lower spike associated with the acceptor oxygen atoms. This cyclic hydrogen bond was also observed in a complex [DMAPH] 4 [H 2 V 10 O 28 ]5H 2 O, where DMAPH is 4-dimethylaminopyridinium acting as counterions of the decavanadate anion, contributing highly to a supramolecular arrangement [ 46 ]. This interaction also arose from interactions between H atoms of organic counterions and O atoms of vanadate species.…”

Section: Resultsmentioning

confidence: 78%

“…However, in that case, it also shows small differences [ 81 , 82 , 83 ]. This compound shows a characteristic cyclic hydrogen bond, which also has been observed in a complex of decavanadate with 4-dimethylaminopyridinium acting as their counterions [ 46 ]. This interaction contributes highly to the supramolecular arrangement due to the formation of cyclic arrangements stabilizing the whole structure.…”

Section: Discussionmentioning

confidence: 87%

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Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment

et al. 2020

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Transition metal-based compounds have shown promising uses as therapeutic agents. Among their unique characteristics, these compounds are suitable for interaction with specific biological targets, making them important potential drugs to treat various diseases. Copper compounds, of which Casiopeinas® are an excellent example, have shown promising results as alternatives to current cancer therapies, in part because of their intercalative properties with DNA. Vanadium compounds have been extensively studied for their pharmacological properties and application, mostly in diabetes, although recently, there is a growing interest in testing their activity as anti-cancer agents. In the present work, two compounds, [Cu(Metf)(bipy)Cl]Cl·2H2O and [Cu(Impy)(Gly)(H2O)]VO3, were obtained and characterized by visible and FTIR spectroscopies, single-crystal X-ray diffraction, and theoretical methods. The structural and electronic properties of the compounds were calculated through the density functional theory (DFT) using the Austin–Frisch–Petersson functional with dispersion APFD, and the 6-311 + G(2d,p) basis set. Non-covalent interactions were analyzed using Hirshfeld surface analysis (HSA) and atom in molecules analysis (AIM). Additionally, docking analysis to test DNA/RNA interactions with the Casiopeina-like complexes were carried out. The compounds provide metals that can interact with critical biological targets. In addition, they show interesting non-covalent interactions that are responsible for their supramolecular arrangements.

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“…The cyclic hydrogen bond O

Section: Resultsmentioning

confidence: 78%

Section: Discussionmentioning

confidence: 87%

Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment

et al. 2020

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“…Although three different transition metal salts and vanadium sources were applied, only protonated decavanadate cluster was observed as the unique polyanion in these DTMHs. Based on the previous study about the reaction conditions of decavanadate, [ 22‐23 ] different reaction conditions including molar ratio, pH, temperature, type of precursor and base have been optimized to find the best reaction conditions and the results revealed the pH was investigated as the main factor for the formation of DTMHs. Upon tuning the suitable pH value and optimizing the synthesis conditions, we successfully obtained Co‐ DTMH as a single, homogeneous crystalline phase at a controlled pH value of 6.54 supported by the single X‐ray diffraction (SXRD) patterns, powder X‐ray diffraction (PXRD) patterns and fourier transform infrared spectra (FT‐IR) tests (Figures S1, S4).…”

Section: Resultsmentioning

confidence: 99%

Decavanadate‐based Transition Metal Hybrids as Bifunctional Catalysts for Sulfide Oxidation and C—C Bond Construction

Huang

et al. 2021

Chin. J. Chem.

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Main observation and conclusion The development of bifunctional catalysts has drawn much attention in realizing efficient and feasible catalytic systems to meet the diverse demand of potential industrial applications. Design of stable and powerful bifunctional catalysts for various catalysis systems is highly desirable yet largely unmet. Here, three kinds of decavanadate‐based transition metal hybrids (DTMH) (i.e., Co‐DTMH, Ni‐DTMH and Ag‐DTMH) have been successfully synthesized through a pH tuning strategy and further characterized. Specifically, the rare MO5N six‐coordinated transition metal coordination modes have been detected in Co‐DTMH and Ni‐DTMH, while Ag atoms in Ag‐DTMH exhibited three‐ and five‐coordinated geometries with the tuning of specially selected imidazole ligands. Thus‐obtained clusters can serve as powerful bifunctional catalysts for both sulfide oxidation and C—C bond construction. Remarkably, Ag‐DTMH demonstrated excellent heterogeneous bifunctional catalytic properties in the selective oxidation of sulfides and construction of C—C bond (yields up to 99%), which enable successful recycling for three cycles with remained catalytic activities and structure stability. The newly designed decavanadate‐based transition metal hybrids with bifunctional property hold high promise in the practical applications like continuous catalysis or flow bed reactions.

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“…Recently, our research group has been involved in the synthesis and experimental and theoretical characterization of decavanadates and cyclo-tetravanadates as potential metallo-prodrugs for the treatment of diabetes and cancer ( Sánchez-Lara et al, 2015 ; Sánchez-Lara et al, 2019 ; Sánchez-Lara et al, 2021 ), ( Martínez-Valencia et al, 2020 ), ( Martínez-Valencia et al, 2020 ), ( Corona-Motolinia et al, 2020 ), and ( García-García et al, 2021 ). We attempted to synthesize a protonated tris(2-pyridoniummehtyl)amine decavanadate to find new candidates under mild hydrothermal conditions.…”

Section: Introductionmentioning

confidence: 99%

“…,(Sánchez-Lara et al, 2014;Sánchez-Lara et al, 2015;Sánchez-Lara et al, 2016;Sánchez-Lara et al, 2018;Sánchez-Lara et al, 2019;Sánchez-Lara et al, 2021),(García-García et al, 2021).…”

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Tris(2-Pyridylmethylamine)V(O)2 Complexes as Counter Ions of Diprotonated Decavanadate Anion: Potential Antineoplastic Activity

et al. 2022

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The synthesis and theoretical-experimental characterization of a novel diprotanated decavanadate is presented here due to our search for novel anticancer metallodrugs. Tris(2-pyridylmethyl)amine (TPMA), which is also known to have anticancer activity in osteosarcoma cell lines, was introduced as a possible cationic species that could act as a counterpart for the decavanadate anion. However, the isolated compound contains the previously reported vanadium (V) dioxido-tpma moieties, and the decavanadate anion appears to be diprotonated. The structural characterization of the compound was performed by infrared spectroscopy and single-crystal X-ray diffraction. In addition, DFT calculations were used to analyze the reactive sites involved in the donor-acceptor interactions from the molecular electrostatic potential maps. The level of theory mPW1PW91/6–31G(d)-LANL2DZ and ECP = LANL2DZ for the V atom was used. These insights about the compounds’ main interactions were supported by analyzing the noncovalent interactions utilizing the AIM and Hirshfeld surfaces approach. Molecular docking studies with small RNA fragments were used to assess the hypothesis that decavanadate’s anticancer activity could be attributed to its interaction with lncRNA molecules. Thus, a combination of three potentially beneficial components could be evaluated in various cancer cell lines.

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A one-dimensional supramolecular chain based on [H₂V₁₀O₂₈]⁴⁻ units decorated with 4-dimethylaminopyridinium ions: an experimental and theoretical characterization

Abstract: One-dimensional supramolecular structure with [H2V10O28]4− units was synthesized and experimental-theoretical characterized as potential releasing prodrug of the decavanadate ion.

Cited by 11 publications

References 52 publications

Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment

Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment

Decavanadate‐based Transition Metal Hybrids as Bifunctional Catalysts for Sulfide Oxidation and C—C Bond Construction

Tris(2-Pyridylmethylamine)V(O)2 Complexes as Counter Ions of Diprotonated Decavanadate Anion: Potential Antineoplastic Activity

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