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1.
PLoS One ; 19(3): e0295107, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38547098

RESUMO

The study was designed to ascertain the diagnostic efficacy of hand-held digital refractometer in determining total protein (TP). The Sipli sheep (n = 128) were grouped as per gender (females = 99, males = 29) and age (G1 = up till 1 year, n = 35; G2 = from 1 to 2 years, n = 63; G3 = above 2 years, n = 30). The results regarding the overall mean (±SE) values for the TPs attained through serum chemistry analyzer (TP1) and hand-held digital refractometer (TP2) were non-significantly (P≥0.05) different (59.2±1.6g/L and 59.8±0.5g/L, respectively). However, the reference intervals (RIs) were quite different for the two TPs being 45.1-95.7g/L and 57.0-67.0g/L for TP1 and TP2, respectively. Similar results were seen for gender-wise and group-wise results. On the contrary, the results regarding correlation coefficient and logilinear regression showed a negative correlation between the two TPs (r = -0.0244) with an adjusted r-square of 0.059 (5.9% probability). Furthermore, the three tests implied to assess the level of agreement between the two methods (Cronbach alpha, Intraclass correlation coefficient, and Bland & Altman test) revealed least agreement between the two methods. In a nutshell, the results of TP through digital refractometer were not in concordance with those attained through serum chemistry analyzer. However, it can cautiously be used if these results are compared with relevant corrected RIs.


Assuntos
Proteínas Sanguíneas , Refratometria , Masculino , Feminino , Animais , Ovinos , Paquistão , Refratometria/métodos
2.
Biosens Bioelectron ; 255: 116206, 2024 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-38531226

RESUMO

In the detection of biomolecules, surface plasmon resonance (SPR) sensors require high sensitivity. In this study, we propose a sensitivity-enhanced functionalized plasmonic interface based on Ag-TiO2-Co(OH)2 nanosheets structure. Compared to unmodified SPR sensors, the sensitivity of the sensor decorated with TiO2 and Co(OH)2 nanosheets is increased by 130.84%, reaching 5764.27 nm/RIU. This enhancement is attributed to the high refractive index of the coating, as well as the high specific surface area and abundant active sites provided by the synthesized Co(OH)2 nanosheets with a multi-grooved structure. Additionally, employing a double-antibody sandwich method, the antibody-functionalized plasmonic interface enables specific detection of human serum albumin (HSA). The linear response of this sensor was in the wide range of 0.4-150 µM, and the LOD reached 154.89 nM(KD is approximately 1.73 × 10-6 M). This novel SPR sensor offers a new strategy for biochemical sensing and provides a highly sensitive platform for immunoassays.


Assuntos
Técnicas Biossensoriais , Humanos , Ressonância de Plasmônio de Superfície , Refratometria , Anticorpos , Alimentos
3.
ACS Sens ; 9(3): 1208-1217, 2024 Mar 22.
Artigo em Inglês | MEDLINE | ID: mdl-38466967

RESUMO

Optical scattering has been widely used for aerosol sizing due to its noninvasive and real-time measurement. However, it is crucial to retrieve the particle size distribution (PSD) of aerosols without prior knowledge of the refractive index. Now, it has been a great challenge to measure the refractive index in situ. In this study, a novel PSD sensing method utilizing the light scattering angular spectrum (LSAS) and machine learning techniques is proposed to address this challenge. The complex nonlinear relationship between LSAS and PSD can be constructed while accounting for the refractive index of aerosols. A miniaturized prototype sensor is designed and tested on different sizes of aerosol samples. The experiment results showed that the maximum Kullback-Leibler divergence (DKL) of PSD is 0.07, which indicates that the sensing method can provide the ability for highly accurate aerosol PSD measurement without requiring prior knowledge of the refractive index. The compacted prototype sensor shows great potential for aerosol analysis in conventional field measurements outside the laboratory.


Assuntos
Luz , Refratometria , Tamanho da Partícula , Aerossóis , Refratometria/métodos
4.
Anal Chem ; 96(12): 4960-4968, 2024 Mar 26.
Artigo em Inglês | MEDLINE | ID: mdl-38436624

RESUMO

The emergence of complex biological modalities in the biopharmaceutical industry entails a significant expansion of the current analytical toolbox to address the need to deploy meaningful and reliable assays at an unprecedented pace. Size exclusion chromatography (SEC) is an industry standard technique for protein separation and analysis. Some constraints of traditional SEC stem from its restricted ability to resolve complex mixtures and notoriously long run times while also requiring multiple offline separation conditions on different pore size columns to cover a wider molecular size distribution. Two-dimensional liquid chromatography (2D-LC) is becoming an important tool not only to increase peak capacity but also to tune selectivity in a single online method. Herein, an online 2D-LC framework in which both dimensions utilize SEC columns with different pore sizes is introduced with a goal to increase throughput for biomolecule separation and characterization. In addition to improving the separation of closely related species, this online 2D SEC-SEC approach also facilitated the rapid analysis of protein-based mixtures of a wide molecular size range in a single online experimental run bypassing time-consuming deployment of different offline SEC methods. By coupling the second dimension with multiangle light scattering (MALS) and differential refractive index (dRI) detectors, absolute molecular weights of the separated species were obtained without the use of calibration curves. As illustrated in this report for protein mixtures and vaccine processes, this workflow can be used in scenarios where rapid development and deployment of SEC assays are warranted, enabling bioprocess monitoring, purity assessment, and characterization.


Assuntos
Produtos Biológicos , Refratometria , Fluxo de Trabalho , Cromatografia em Gel , Proteínas/análise
5.
Methods Mol Biol ; 2789: 21-29, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38506987

RESUMO

Nanomaterials are inherently polydisperse. Traditional techniques, such as the widely used batch-mode dynamic light-scattering (DLS) analysis, are not ideal nor thoroughly descriptive enough to define the full complexity of these materials. Asymmetric-flow field-flow fractionation (AF4) with various in-line detectors, such as ultraviolet-visible (UV-vis), multi-angle light scattering (MALS), refractive index (RI), and DLS, is an alternative technique that can provide flow-mode analysis of not only size distribution but also shape, drug release/stability, and protein binding.


Assuntos
Fracionamento por Campo e Fluxo , Nanopartículas , Difusão Dinâmica da Luz , Refratometria , Fracionamento por Campo e Fluxo/métodos , Luz , Tamanho da Partícula
6.
Sci Rep ; 14(1): 5077, 2024 03 01.
Artigo em Inglês | MEDLINE | ID: mdl-38429419

RESUMO

A novel model of human corneal birefringence is presented. The cornea is treated as a homogeneous biaxial linear birefringent medium in which the values of the binormal axes angle and organization of the main refractive indices vary continuously from the apex to the limbus. In its central part, the angle between binormal axes is 35°, and para centrally, it smoothly increases to 83.7°. The values of the main refractive indices (nx, ny, nz) change, as well as their order, from nx < nz < ny to nz < nx < ny. The transition between these two states was described with a normal distribution (µ = 0.45, σ = 0.1). The presented model corresponds with the experimental results presented in the literature. To our knowledge, it is the first model that presents the anisotropic properties' distributions of the entire cornea. The presented model facilitates a better understanding of the corneal birefringence phenomenon directly related to its lamellar structure.


Assuntos
Córnea , Refratometria , Humanos , Birrefringência , Refratometria/métodos , Anisotropia , Distribuição Normal
7.
J. optom. (Internet) ; 17(1)Jan.-March. 2024. graf
Artigo em Inglês | IBECS | ID: ibc-229117

RESUMO

Introduction A periodical self-monitoring of spherical refraction using smartphones may potentially allow a quicker intervention by eye care professionals to reduce myopia progression. Unfortunately, at low levels of myopia, the far point (FP) can be located far away from the eye which can make interactions with the device difficult. To partially remedy this issue, a novel method is proposed and tested wherein the longitudinal chromatic aberration (LCA) of blue light is leveraged to optically bring the FP closer to the eye. Methods Firstly, LCA was obtained by measuring spherical refraction subjectively using blue pixels in stimuli shown on organic light-emitting diode (OLED) screens and also grey stimuli with matching luminance. Secondly, the visual acuity (VA) measured with a smartphone located at 1.0 m and 1.5 m and displaying blue optotypes was compared with that obtained clinically standard measurements. Finally, the spherical over refraction obtained in blue light with a smartphone was compared with clinical over-refraction with black and white (B&W) optotypes placed at 6 m. Results Mean LCA of blue OLED smartphone screens was −0.67 ± 0.11 D. No significant differences (p > 0.05) were found between the VA measured with blue optotypes on a smartphone screen and an eye chart. Mean difference between spherical over-refraction measured subjectively by experienced subjects with smartphones and the one obtained clinically was 0.08 ± 0.34 D. Conclusions Smartphones using blue light can be used as a tool to detect changes in visual acuity and spherical refraction and facilitate monitoring of myopia progression. (AU)


Assuntos
Acuidade Visual , Refratometria/instrumentação , Smartphone , Refração Ocular , Grades , Fotofobia , Testes de Percepção de Cores
8.
Acta Biomater ; 178: 124-136, 2024 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-38423352

RESUMO

Intraocular lens (IOL) implantation is currently the most effective clinical treatment for cataracts. Nevertheless, due to the growth of the eye axis in patients with congenital cataracts during the process of growth and development, the progressive incapacity of an IOL with a fixed focus does not meet the demands of practical usage, leading to the occurrence of ametropia. This work describes an innovative class of an IOL bulk material that offers good biosafety and light-controlled refractive index adjustment. Acrylate materials were synthesized for the preparation of IOLs by free radical polymerization of ethylene glycol phenyl ether methacrylate (EGPEMA), hydrophilic monomer 2-(2-ethoxyethoxy) ethyl acrylate (EA), and functional monomer hydroxymethyl coumarin methacrylate (CMA). Under 365/254 nm ultraviolet (UV) irradiation, the coumarin group could adjust the polymer material's refractive index through reversible photoinduced dimerization/depolymerization. Meanwhile, the potential for the IOL use is enabled by its satisfactory biosafety. Such a light-induced diopter adjustable IOL will be more appropriate for implantation during cataract surgery since it will not require the correction needed for ametropia and will offer more accurate and humane treatment. STATEMENT OF SIGNIFICANCE.


Assuntos
Catarata , Lentes Intraoculares , Erros de Refração , Humanos , Implante de Lente Intraocular , Acuidade Visual , Refratometria , Cumarínicos , Metacrilatos
9.
Talanta ; 272: 125808, 2024 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-38373364

RESUMO

Indolamines (e.g., serotonin and melatonin) are tryptophan-derived class of neurotransmitters and neuromodulators that play crucial roles in mood regulation, sleep-wake cycles, and gastrointestinal functions. These biogenic amines exert their effects by binding to specific receptors in the central nervous system, influencing neuronal activity and signalling cascades. Indolamines are vital in maintaining homeostasis, and imbalances in their levels have been implicated in various neurological and psychiatric disorders. Hence, in the present study, we have investigated the nonlinear properties of indolamines under a continuous wave (CW) and pulsed laser excitation using the closed-aperture (CA) Z-scan technique. The CA Z-scan is a cost-effective and sensitive analytical tool for investigating nonlinear properties. It is observed that indolamines show negative refractive and positive absorptive nonlinearity under in vitro physiological conditions. The origin of nonlinearity is ascribed to the thermo-optical effect governed by the saturated atomic absorption and molecular orientation mechanisms under CW and pulsed laser excitation, respectively. The strength of nonlinearity is found to vary linearly with the concentration of indolamines. Overall, serotonin possesses stronger nonlinearity than melatonin. The maximum nonlinearity (refractive index (n2) & absorption coefficient (ß)) for melatonin under CW and pulsed laser excitations are (-1.266 × 10-12 m2W-1 and -1.883 × 10-17 m2W-1) & (8.046 × 10-8 mW-1 and 1.516 × 10-13 mW-1), respectively. Meanwhile, the maximum n2 and ß under pulsed laser excitation for serotonin are obtained as -3.195 × 10-17 m2W-1 and 6.149 × 10-12 mW-1, respectively. The outcome of the results may be utilized in understanding processes mediated by indolamines and designing therapeutic interventions.


Assuntos
Indóis , Melatonina , Humanos , Serotonina , Luz , Refratometria
10.
Sci Adv ; 10(7): eadl2232, 2024 Feb 16.
Artigo em Inglês | MEDLINE | ID: mdl-38354252

RESUMO

Optical imaging and phototherapy in deep tissues face notable challenges due to light scattering. We use encoded acoustic holograms to generate three-dimensional acoustic fields within the target medium, enabling instantaneous and robust modulation of the volumetric refractive index, thereby noninvasively controlling the trajectory of light. Through this approach, we achieved a remarkable 24.3% increase in tissue heating rate in vitro photothermal effect tests on porcine skin. In vivo photoacoustic imaging of mouse brain vasculature exhibits an improved signal-to-noise ratio through the intact scalp and skull. These findings demonstrate that our strategy can effectively suppress light scattering in complex biological tissues by inducing low-angle scattering, achieving an effective depth reaching the millimeter scale. The versatility of this strategy extends its potential applications to neuroscience, lithography, and additive manufacturing.


Assuntos
Técnicas Fotoacústicas , Camundongos , Animais , Suínos , Técnicas Fotoacústicas/métodos , Fototerapia , Crânio , Acústica , Refratometria
11.
Sensors (Basel) ; 24(4)2024 Feb 15.
Artigo em Inglês | MEDLINE | ID: mdl-38400404

RESUMO

In this article, we demonstrate an improved efficient fibre sensor with a high sensitivity to measure glucose concentrations in the physiological range of human beings, operating in a broad spectral bandwidth from the near- to mid-infrared. The sensor consists of a dual-peak long period grating (DPLPG) with a period of 150 µm inscribed in an optical fibre with a diameter of 80 µm. The investigation of sensing for refractive index results in a sensitivity of ~-885.7 nm/refractive index unit (RIU) and ~2008.6 nm/RIU in the range of 1.30-1.44. The glucose measurement is achieved by the immobilisation of a layer of enzyme of glucose oxidase (GOD) onto the fibre surface for the selective enhancement of sensitivity for glucose. The sensor can measure glucose concentrations with a maximum sensitivity of -36.25 nm/(mg/mL) in the range of 0.1-3.0 mg/mL. To the best of our knowledge, this is the highest sensitivity ever achieved for a measurement of glucose with a long period grating-based sensor, indicating its potential for many applications including pharmaceutical, biomedical and food industries.


Assuntos
Técnicas Biossensoriais , Humanos , Técnicas Biossensoriais/métodos , Fibras Ópticas , Refratometria , Glucose , Glucose Oxidase
12.
Commun Biol ; 7(1): 154, 2024 Feb 06.
Artigo em Inglês | MEDLINE | ID: mdl-38321111

RESUMO

Mapping the cellular refractive index (RI) is a central task for research involving the composition of microorganisms and the development of models providing automated medical screenings with accuracy beyond 95%. These models require significantly enhancing the state-of-the-art RI mapping capabilities to provide large amounts of accurate RI data at high throughput. Here, we present a machine-learning-based technique that obtains a biological specimen's real-time RI and thickness maps from a single image acquired with a conventional color camera. This technology leverages a suitably engineered nanostructured membrane that stretches a biological analyte over its surface and absorbs transmitted light, generating complex reflection spectra from each sample point. The technique does not need pre-existing sample knowledge. It achieves 10-4 RI sensitivity and sub-nanometer thickness resolution on diffraction-limited spatial areas. We illustrate practical application by performing sub-cellular segmentation of HCT-116 colorectal cancer cells, obtaining complete three-dimensional reconstruction of the cellular regions with a characteristic length of 30 µm. These results can facilitate the development of real-time label-free technologies for biomedical studies on microscopic multicellular dynamics.


Assuntos
Refratometria , Humanos , Células HCT116
13.
Ophthalmic Physiol Opt ; 44(2): 334-346, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38299736

RESUMO

The intracapsular accommodation mechanism (IAM) may be understood as an increase in the lens equivalent refractive index as the eye accommodates. Our goal was to evaluate the existence of an IAM by analysing observed changes in the inner curvature gradient of the lens. To this end, we fitted a gradient index and curvature lens model to published experimental data on external and nucleus geometry changes during accommodation. For each case analysed, we computed the refractive power and equivalent index for each accommodative state using a ray transfer matrix. All data sets showed an increase in the effective refractive index, indicating a positive IAM, which was stronger for older lenses. These results suggest a strong dependence of the lens equivalent refractive index on the inner curvature gradient.


Assuntos
Cristalino , Lentes , Humanos , Refração Ocular , Acomodação Ocular , Refratometria/métodos
14.
ACS Nano ; 18(3): 2421-2433, 2024 Jan 23.
Artigo em Inglês | MEDLINE | ID: mdl-38190624

RESUMO

Carbon quantum dots (CQDs) are one of the most promising types of fluorescent nanomaterials due to their exceptional water solubility, excellent optical properties, biocompatibility, chemical inertness, excellent refractive index, and photostability. Nitrogen-containing CQDs, which include amino acid based CQDs, are especially attractive due to their high quantum yield, thermal stability, and potential biomedical applications. Recent studies have attempted to improve the preparation of amino acid based CQDs. However, the highest quantum yield obtained for these dots was only 44%. Furthermore, the refractive indices of amino acid derived CQDs were not determined. Here, we systematically explored the performance of CQDs prepared from all 20 coded amino acids using modified hydrothermal techniques allowing more passivation layers on the surface of the dots to optimize their performance. Intriguingly, we obtained the highest refractive indices ever reported for any CQDs. The values differed among the amino acids, with the highest refractive indices found for positively charged amino acids including arginine-CQDs (∼2.1), histidine-CQDs (∼2.0), and lysine-CQDs (∼1.8). Furthermore, the arginine-CQDs reported here showed a nearly 2-fold increase in the quantum yield (∼86%) and a longer decay time (∼8.0 ns) compared to previous reports. In addition, we also demonstrated that all amino acid based CQD materials displayed excitation-dependent emission profiles (from UV to visible) and were photostable, water-soluble, noncytotoxic, and excellent for high contrast live cell imaging or bioimaging. These results indicate that amino acid based CQD materials are high-refractive-index materials applicable for optoelectronic devices, bioimaging, biosensing, and studying cellular organelles in vivo. This extraordinary RI may be highly useful for exploring cellular elements with different densities.


Assuntos
Pontos Quânticos , Refratometria , Aminoácidos , Pontos Quânticos/química , Carbono/química , Água , Arginina
15.
Colloids Surf B Biointerfaces ; 234: 113705, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38194837

RESUMO

Hollow-core microstructured optical waveguides (HC-MOW) have recently emerged in sensing technologies, including the gas and liquid detection for industrial as well as clinical applications. Antiresonant HC-MOW provide capabilities for applications in refractive index (RI) sensing, while the long optical path for analyte-light interaction in HC-MOW leads to increased sensitivity of sensor based on Raman scattering signal measurements. In this study, we developed a two-in-one sensor device using HC-MOW for RI and Raman scattering detection. The performance of the sensor was evaluated by characterizing protein-copolymer multicomponent colloids, specifically, bovine serum albumin (BSA) and poly(N - vinyl-2 -pyrrolidone-co-acrylic acid) P(VP-AA) nano-sized complexes and microbubbles of the corresponding shell. Monocomponent solutions showed linear dependencies of RI and characteristic Raman peak intensities on mass concentration. Multicomponent Raman sensing of BSA@P(VP-AA) complexes and microbubbles revealed that changes in P(VP-AA) characteristic peak intensities can describe interactions between components needed to produce colloid systems. RI sensing of multicomponent colloids demonstrated linear dependence on total mass concentrations for BSA@P(VP-AA) complexes, while corresponding BSA@P(VP-AA) microbubbles can be detected with concentrations as high as 4.0 × 108 MB/mL. Therefore, the developed two-in-one sensor of RI and Raman scattering can be used the robust characterization of albumin-based colloids designed for therapeutic and diagnostic needs.


Assuntos
Refratometria , Análise Espectral Raman , Coloides
16.
Sensors (Basel) ; 24(2)2024 Jan 21.
Artigo em Inglês | MEDLINE | ID: mdl-38276369

RESUMO

We introduced a label-free sensing system based on an array of microring resonators (MRRs) which was successfully employed for human serum albumin (HSA) detection. The sensing-ring surface was functionalized to immobilize anti-HSA, facilitating HSA binding. Our refractive index sensing system demonstrates high sensitivity at 168 nm/RIU and a low limit of detection (LOD) of 63.54 ng/mL, closely comparable to current HSA detection methods. These findings confirm the potential of MRRs as biocompatible sensors for HSA detection. This system holds great promise as an innovative platform for the detection of HSA, carrying significant importance in medical diagnostics.


Assuntos
Técnicas Biossensoriais , Refratometria , Humanos , Limite de Detecção
17.
J Equine Vet Sci ; 132: 104975, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-38040068

RESUMO

Foals require maternal colostrum in the first hours of life to prevent failure of transfer of passive immunity (FTIP). Innovative storage methods such as lyophilization may enable conservation of colostrum immunoglobulins by a differentiated process of dehydration. The current study aimed to compare the quality of equine colostrum after freezing and after the lyophilization process. Thirty-one pregnant Quarter Horse mares were used. The IgG concentration of frozen and lyophilized colostrum was determined by simple radial immunodiffusion (SRID) and Brix refractometry. The physical-chemical composition (pH, total protein (TP), fat, lactose, salts, total solids (TS), and density) of the samples was evaluated and the lyophilized colostrum reconstitution test was performed. There were no significant differences (P > 0.05) in the variables IgG, fat, lactose, salts, TS, density, and pH between samples measured before and after lyophilization. There was a significant difference (P < 0.05) between the Brix average and the TP of the frozen and lyophilized colostrum samples. Lyophilization resulted in a small reduction (6.55%) in the IgG concentration measured by SRID. A strong positive correlation was observed between colostrum density and IgG concentration by SRID (r = 0.76) and between Brix and IgG concentration by SRID (r = 0.77). In the reconstitution test, the lyophilized colostrum was easily rehydrated in water, with full dilution, and remained stable. Lyophilization could be an alternative for the conservation of mare colostrum, since it is a very efficient process for retaining the physicochemical characteristics of the product, with minimal loss, particularly of IgG.


Assuntos
Colostro , Lactose , Gravidez , Animais , Cavalos , Feminino , Lactose/análise , Sais/análise , Imunoglobulina G/análise , Refratometria/veterinária
18.
J AOAC Int ; 107(1): 2-13, 2024 Jan 04.
Artigo em Inglês | MEDLINE | ID: mdl-37676824

RESUMO

BACKGROUND: Zinc helps with cell division, growth, wound healing, and carbohydrate breakdown. Humanbeings have to obtain zinc from food or supplements because our bodies do not produce it naturally. In view of the greater advantages (such as low cost, time of analysis, and stability-indicating) compared to other quantification methods (titration, ion chromatography, Atomic absorption spectroscopy) proposed in the literature, a refractive index detector coupled with HPLC has been used in quantification of zinc. OBJECTIVE: The goal of this research is to develop and validate a sensitive, low-cost, high-resolution, and stability- indicating method for detecting and quantifying zinc levels in zinc supplement pharmaceutical products (injectables, tablets, and capsules). METHODS: A novel isocratic reverse-phase HPLC method with a refractive index detector (with sensitivity 64, detector temperature 35°C, and positive polarity) was developed using a carboxyl functional group packed column and 0.8% (v/v) formic acid as the mobile phase to detect and quantify zinc content. RESULTS: The reported method has a good optimal sensitivity (LOQ: 0.006 mg/mL and LOD: 0.002 mg/mL). The correlation coefficient (r) obtained from the zinc calibration plot was greater than 0.998, indicating that the method was linear and that there was a strong correlation between zinc concentration (0.006 mg/mL to 0.375 mg/mL) and peak response. The accuracy at LOQ level was found to be 95-105% and 97-103% at the remaining levels (50, 100, and 150%). CONCLUSION: The proposed method was successfully developed and validated as per International council for harmonisation (ICH) guidelines. Therefore, this method can be used for the quantitative testing of zinc in the QC laboratory. HIGHLIGHTS: A novel method was developed for zinc levels determination in pharmaceutical products using HPLC with a refractive index detector. The present approach has a quick run time of 10 min and is inexpensive.


Assuntos
Refratometria , Zinco , Estabilidade de Medicamentos , Suplementos Nutricionais , Preparações Farmacêuticas , Cromatografia Líquida de Alta Pressão/métodos , Reprodutibilidade dos Testes
19.
J Mol Graph Model ; 126: 108646, 2024 01.
Artigo em Inglês | MEDLINE | ID: mdl-37816302

RESUMO

Nonlinear optical (NLO) switchable materials play a crucial role in the fields of electronics and optoelectronics. The selection of an appropriate switching approach is vital in designing such materials to enhance their NLO response. Among various approaches, thermos-switching materials have shown a 4-fold increase in NLO response compared to other photo-switching materials. In this study, we computationally investigated the geometric, electronic, and nonlinear optical properties of reversible lactone-based thermochromic compounds using the ωB97XD/6-311+G (d,p) level of theory. Molecular orbital studies are employed to analyze the electronic properties of the close and open isomers of these compounds, while time-dependent density functional theory (TD-DFT) analysis is utilized to evaluate their molecular absorption. Our findings reveal that the π-electronic conjugation-induced delocalization significantly influences the ON-OFF switchable nonlinear optical response of the lactone-based thermochromic compounds. Notably, among all compounds, the open isomer of lactone 2 exhibits the highest hyperpolarizability value (6596.69 au). Furthermore, we extended our analysis to investigate the frequency-dependent second and third-order hyperpolarizabilities. The most pronounced frequency-dependent NLO response is observed at 532 nm. Additionally, we calculated the refractive index of these thermochromic compounds to further assess their nonlinear optical response. The open isomer of lactone 1 demonstrates the highest refractive index value (3.99 × 10-14 cm2/W). Overall, our study highlights the excellent potential of reversible thermochromic compounds as NLO molecular thermos-switches for future applications.


Assuntos
Refratometria , Teoria da Densidade Funcional
20.
Appl Opt ; 62(32): 8558-8566, 2023 Nov 10.
Artigo em Inglês | MEDLINE | ID: mdl-38037969

RESUMO

A design of a multiband terahertz (THz) metamaterial biosensor for early cancer detection is proposed. The THz biosensor composed of several arc-shaped connecting parts operates at three different frequencies, and the absorptivity of the three resonant frequencies exceeds 99% in free space. In this work, we analyzed the absorption spectrum and polarization independence under different design parameters, improved the performance of the sensor by adjusting the absorption characteristics of the sensor, and gave the calculation results. Additionally, we studied the influence of the refractive index and thickness of different samples on the sensor, and theoretically calculated the sensitivity of the sensor to basal cells, breast cells, cervical cells, and their corresponding cancer cells. The result shows that the maximum sensitivity of the sensor can reach 642.5 GHz/RIU, which is much higher than the reported biosensors. Therefore, the proposed THz sensor has great potential in early detection and early warning of cancer.


Assuntos
Neoplasias , Radiação Terahertz , Humanos , Refratometria , Detecção Precoce de Câncer , Refração Ocular
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