Applications of metal ions and liquid crystals for multiplex detection of DNA

Liu, Yanyang; Yang, Kun‐Lin

doi:10.1016/j.jcis.2014.10.038

Cited by 22 publications

(12 citation statements)

References 28 publications

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“…[1][2][3][4][5][6] Liquid crystals (LCs) provide the basis of a particularly promising class of chemoresponsive materials as they are fluid phases within which the molecules (mesogens) exhibit preferred orientations, a so-called director, at chemically functionalized interfaces. [7][8][9][10][11][12][13][14][15][16][17] For example, LC films supported on the surfaces of solids decorated with metal salts have been shown to report the binding of specific chemical targets, such as organophosphonates, [18][19][20][21][22][23][24][25][26][27][28][29][30][31][32] NO 2 [33] or H 2 S [34] . The LC ordering transitions, which are triggered by competitive binding of the mesogens and targeted chemical species with the metal salts, are easily transduced with optical and electrical methods.…”

Section: Introductionmentioning

confidence: 99%

Computational Chemistry‐Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups

Szilvási

Rai

et al. 2018

Adv Funct Materials

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We report computational chemistry-guided designs of chemoresponsive liquid crystals (LCs) with pyridine or pyrimidine groups that bind to metal cation-functionalized surfaces to provide improved selective responses to targeted vapor species (dimethylmethylphosphonate (DMMP)) over non-targeted species (water). We test the LC designs against experiments by synthesizing 4-(4-pentyl-phenyl)pyridine and 5-(4-pentyl-phenyl)-pyrimidine and quantifying LC responses to DMMP and water. Consistent with the computations, pyridine-containing LCs bind to metal cation-functionalized surfaces too strongly to permit a response to either DMMP or water whereas pyrimidine-containing LCs undergo a surface-driven orientational transition in response to DMMP without interference from water. The computation predictions are not strongly dependent on assumptions regarding the degree of coordination of the metal ions but are limited in their ability to predict LC responses when using cations with mostly empty d orbitals. Overall, this work identifies a promising new class of chemoresponsive LCs based on pyrimidine that exhibits enhanced tolerance to water, a result that is important because water is a ubiquitous and particularly challenging chemical interferent in chemical sensing strategies based on LCs. The work also provides further evidence of the transformative utility of computational chemistry methods to design of LC materials that exhibit selective orientational responses in specific chemical environments.Received: ((will be filled in by the editorial staff))Revised: ((will be filled in by the editorial staff))

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Section: Introductionmentioning

confidence: 99%

Computational Chemistry‐Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups

Szilvási

Rai

et al. 2018

Adv Funct Materials

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“…Investigations of the anchoring of liquid crystals (LCs) to chemically functionalized surfaces and their subsequent orientational transition upon exposure to targeted analyte molecules are leading to the development and improvement of chemical and biological sensors345678, although these innovations have required slow, laborious experiments not yet informed by computational materials discovery. In these sensors, the orientational ordering of LCs depends primarily on the chemical functionality of the surfaces used to support the LCs910.…”

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confidence: 99%

Towards first-principles molecular design of liquid crystal-based chemoresponsive systems

et al. 2016

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Nematic liquid crystals make promising chemoresponsive systems, but their development is currently limited by extensive experimental screening. Here we report a computational model to understand and predict orientational changes of surface-anchored nematic liquid crystals in response to chemical stimuli. In particular, we use first-principles calculations to evaluate the binding energies of benzonitrile, a model for 4′-pentyl-4-biphenylcarbonitrile, and dimethyl methylphosphonate to metal cation models representing the substrate chemical sensing surface. We find a correlation between these quantities and the experimental response time useful for predicting the response time of cation–liquid crystal combinations. Consideration of charge donation from chemical species in the surface environment is critical for obtaining agreement between theory and experiment. Our model may be extended to the design of improved chemoresponsive liquid crystals for selectively detecting other chemicals of practical interest by choosing appropriate combinations of metal cations with liquid crystals of suitable molecular structure.

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“…Recent measurements have shown that specific ion-induced surface reorientations can propagate and align a bulk nematic phase, creating an optical signal in the presence of specific chemicals. The interaction between ions, liquid crystal and other dopants has been proposed as a detection vector for systems as diverse as ion-DNA complex assays 47 , and mercury ion detection in drinking water 48 . This study highlights some of the features of these interactions, which could help guide the design of liquid crystal interface-based lab-on-a-chip devices.…”

Section: Discussionmentioning

confidence: 99%

X-ray reflectivity reveals ionic structure at liquid crystal–aqueous interfaces

Hallett¹,

Hayward

Arnold

et al. 2017

Soft Matter

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Here X-ray reflectivity has been used to determine the structure of liquid crystal monolayers for different cyanobiphenyl homologues supported on aqueous solutions of two different salt species. Sodium iodide induces homeotropic ordering for all of the monolayer forming liquid crystal homologues studied here, and forms a Stern layer of iodide ions at the liquid crystal cyano headgroup, similar to the case of lipids or surfactants supported on electrolyte solutions. The liquid crystal headgroups were also found to penetrate into the water surface when binding with iodide ions. Sodium bromide, however, does not form the same localisation of ions close to a liquid crystal monolayer, and instead appears to produce no noticeable change in the scattering length density of the liquid crystal monolayer compared to pure water. However, on further compression the X-ray reflectivity dramatically changes, revealing the emergence of the so-called "trilayer" structure for 5CB and 8CB. This transition occurs at a lower areal density for sodium bromide than for pure water, and unlike for the uncompressed film, a layer of bromide ions was found at the trilayer-water interface.

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Applications of metal ions and liquid crystals for multiplex detection of DNA

Cited by 22 publications

References 28 publications

Computational Chemistry‐Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups

Computational Chemistry‐Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups

Towards first-principles molecular design of liquid crystal-based chemoresponsive systems

X-ray reflectivity reveals ionic structure at liquid crystal–aqueous interfaces

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