Does anion-cation organization in Na+-containing X-ray crystal structures relate to solution interactions in inhomogeneous nanoscale environments: Sodium-decavanadate in solid state materials, minerals, and microemulsions

Crans, Debbie C.; Peters, Benjamin; Wu, Xiao; McLauchlan, Craig C.

doi:10.1016/j.ccr.2017.03.016

Cited by 29 publications

(26 citation statements)

References 155 publications

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“…30 · 43–47,52 To this end, the 1 H NMR spectrum of each N-containing compound was acquired in D 2 O and varying sizes of RM. By varying the sizes of the RM (wo), small changes in the RM microenvironment occur.…”

Section: Resultsmentioning

confidence: 99%

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Structure Dependence of Pyridine and Benzene Derivatives on Interactions with Model Membranes

et al. 2018

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Pyridine based small molecule drugs, vitamins, and cofactors are vital for many cellular processes, but little is known about their interactions with membrane interfaces. These specific membrane interactions of these small molecules or ions can assist in diffusion across membranes or reach a membrane bound target This study explores how minor differences in small molecules (isoniazid, benzhydrazide, isonicotinamide, nicotinamide, picolinamide, and benzamide) can affect their interactions with model membranes. Langmuir monolayer studies of dipalmitoylphosphatidylcholine (DPPC) or dipalmitoylphosphatidylethanolamine (DPPE), in the presence of the molecules listed, show that isoniazid and isonicotinamide affect the DPPE monolayer at lower concentrations than the DPPC monolayer, demonstrating a preference for one phospholipid over the other. The Langmuir monolayer studies also suggest that nitrogen content and stereochemistry of the small molecule can affect the phospholipid monolayers differently. To determine the molecular interactions of the simple N-containing aromatic pyridines with a membrane-like interface, 1H 1D NMR and 1H-1H 2D NMR techniques were utilized to obtain information aboutposition and orientation of the molecules of interest within aerosol-OT (AOT) reverse micelles. These studies show that all six of the molecules reside near the AOT sulfonate headgroups and ester linkages in similar positions, but nicotinamide and picolinamide tilt at the water-AOT interface to varying degrees. Combined, these studies demonstrate that small structural changes of small N-containing molecules can affect their specific interactions with membrane-like interfaces, and specificity toward different membrane components.

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Section: Resultsmentioning

confidence: 99%

“…Comparing the chemical shifts of the N-containing compounds caused by varying environmental differences, it is possible to place the compounds within the RM. 30,43–47,52 The following paragraphs describe the chemical shifting and our placement of compounds as a result of the observed chemical shifting patterns.…”

Section: Resultsmentioning

confidence: 99%

Structure Dependence of Pyridine and Benzene Derivatives on Interactions with Model Membranes

et al. 2018

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“…Vanadium is a first-row transition metal ion and is in the group of transition metals that can form POMs (Baes, 1976 ; Chasteen, 1983 ; Vilas Boas and Costa Pessoa, 1987 ; Pope and Müller, 1991 ; Rehder, 1991 ; Crans et al, 2004 , 2017 ). Vanadium is particularly prone to forming homopolyoxometalate ions as well (Baes, 1976 ; Aureliano and Crans, 2009 ).…”

Section: Introductionmentioning

confidence: 99%

Decavanadate Inhibits Mycobacterial Growth More Potently Than Other Oxovanadates

et al. 2018

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51V NMR spectroscopy is used to document, using speciation analysis, that one oxometalate is a more potent growth inhibitor of two Mycobacterial strains than other oxovanadates, thus demonstrating selectivity in its interaction with cells. Historically, oxometalates have had many applications in biological and medical studies, including study of the phase-problem in X-ray crystallography of the ribosome. The effect of different vanadate salts on the growth of Mycobacterium smegmatis (M. smeg) and Mycobacterium tuberculosis (M. tb) was investigated, and speciation was found to be critical for the observed growth inhibition. Specifically, the large orange-colored sodium decavanadate (V10O286-) anion was found to be a stronger inhibitor of growth of two mycobacterial species than the colorless oxovanadate prepared from sodium metavanadate. The vanadium(V) speciation in the growth media and conversion among species under growth conditions was monitored using 51V NMR spectroscopy and speciation calculations. The findings presented in this work is particularly important in considering the many applications of polyoxometalates in biological and medical studies, such as the investigation of the phase-problem in X-ray crystallography for the ribosome. The findings presented in this work investigate the interactions of oxometalates with other biological systems.

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“…Eight terminals-, fourteen doubly bridged (μ 2 )-, four triply bridged (μ 3 )- and two hexa bridged (μ 6 )-oxygen atoms exist within this [V 10 O 28 ] 6− cluster anion. Numerious decavanadate based compounds are known in literature (Crans et al, 2017; Naslhajian et al, 2017; Yerra and Das, 2017) where the decavanadate cluster anion has been isolated using diverse cations including transition metal- and alkali metal-coordination complex cations; relevant supramolecular chemistry has also been described in the context of POV based materials chemistry (Sánchez-Lombardo et al, 2014; Wang et al, 2016). Choosing a particular cation plays a vital role in tuning the property of the resulting decavanadate cluster containing ion pair compound (Chatkon et al, 2013).…”

Section: Introductionmentioning

confidence: 99%

“…Even though, a good number of reports of the decavanadate cluster anion on diverse aspects of its biological significance is available including its catalytic applications (Kwon et al, 1988; Villa et al, 2001; Derat et al, 2006; Conte and Floris, 2010; Mestiri et al, 2013; Martín-Caballero et al, 2016; Amini et al, 2017; Huang et al, 2018), there are only few reports on decavanadate-based inorganic compounds along with their structural characterizations, that have been used as models to understand the formation of decavanadate-based minerals in Nature. D. C. Crans and C. C. McLauchlan and their co-workers have recently published an excellent review article covering the mineral-aspects of decavanadate compounds (Crans et al, 2017). There are more than 10 such minerals known, where the negative charges of decavanadate anion are counter-balanced mostly by alkali and alkali-earth metal cations and these minerals are stabilized with a good number of solvent water molecules.…”

Section: Introductionmentioning

confidence: 99%

A Versatile Polyoxovanadate in Diverse Cation Matrices: A Supramolecular Perspective

Amanchi

Das

2018

Front. Chem.

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A series of decavanadate based compounds, formulated as [Co(H2O)6][{Na4(H2O)14}{V10O28}]·4H2O (1), [Zn(H2O)6][Na3(H2O)14] [HV10O28]·4H2O (2), [HMTAH]2 [{Zn(H2O)4}2{V10O28}]·2H2O (3), [{Co(3-amp)(H2O)5}]2 [3-ampH]2 [V10O28] · 6H2O (4), [4-ampH]10[{Na(H2O)6}{HV10O28}][V10O28]·15H2O (5), [{4-ampH}6 {Co(H2O)6}3][V10O28]2·14H2O (6), and [{4-ampH}10{Zn(H2O)6}][V10O28]2·10H2O (7), have been synthesized (where HMTAH = mono-protonated hexamethylenetetramine, 3-ampH = protonated 3-amino pyridine and 4-ampH= protonated 4-aminopyridine) from the relevant aqueous sodium-vanadate solution, by varying the pH of the solution and amino pyridine/hexamine derivatives as well as transition metal salts (Co(II)- and Zn(II)-salts). In this series of compounds 1–7, the polyoxovanadate (POV) cluster [V10O28]6− is the common cluster anion, stabilized by diverse cations. The diverse supramolecular patterns around the decavanadate cluster anion in different cationic matrices have been described to understand the microenvironment in the decavanadate-based minerals. All of these compounds have solvent water molecules in their respective crystal lattices. Since water can interact directly with cations and anions, providing an additional stability and structural diversity, we have analyzed supramolecular water structures in all these compounds to comprehend the role of the lattice water in the formation of natural decavanadate containing minerals. Compounds 1–7, that are isolated at an ambient condition from aqueous solution, are characterized by routine spectral analysis, elemental analyses and finally unambiguously by single crystal X-ray crystallography.

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Does anion-cation organization in Na+-containing X-ray crystal structures relate to solution interactions in inhomogeneous nanoscale environments: Sodium-decavanadate in solid state materials, minerals, and microemulsions

Cited by 29 publications

References 155 publications

Structure Dependence of Pyridine and Benzene Derivatives on Interactions with Model Membranes

Structure Dependence of Pyridine and Benzene Derivatives on Interactions with Model Membranes

Decavanadate Inhibits Mycobacterial Growth More Potently Than Other Oxovanadates

A Versatile Polyoxovanadate in Diverse Cation Matrices: A Supramolecular Perspective

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