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1.
Spectrochim Acta A Mol Biomol Spectrosc ; 323: 124897, 2024 Dec 15.
Article in English | MEDLINE | ID: mdl-39094271

ABSTRACT

Assessing crop seed phenotypic traits is essential for breeding innovations and germplasm enhancement. However, the tough outer layers of thin-shelled seeds present significant challenges for traditional methods aimed at the rapid assessment of their internal structures and quality attributes. This study explores the potential of combining terahertz (THz) time-domain spectroscopy and imaging with semantic segmentation models for the rapid and non-destructive examination of these traits. A total of 120 watermelon seed samples from three distinct varieties, were curated in this study, facilitating a comprehensive analysis of both their outer layers and inner kernels. Utilizing a transmission imaging modality, THz spectral images were acquired and subsequently reconstructed employing a correlation coefficient method. Deep learning-based SegNet and DeepLab V3+ models were employed for automatic tissue segmentation. Our research revealed that DeepLab V3+ significantly surpassed SegNet in both speed and accuracy. Specifically, DeepLab V3+ achieved a pixel accuracy of 96.69 % and an intersection over the union of 91.3 % for the outer layer, with the inner kernel results closely following. These results underscore the proficiency of DeepLab V3+ in distinguishing between the seed coat and kernel, thereby furnishing precise phenotypic trait analyses for seeds with thin shells. Moreover, this study accentuates the instrumental role of deep learning technologies in advancing agricultural research and practices.


Subject(s)
Citrullus , Seeds , Seeds/chemistry , Citrullus/chemistry , Terahertz Imaging/methods , Deep Learning , Image Processing, Computer-Assisted/methods , Terahertz Spectroscopy/methods , Semantics
2.
Phytomedicine ; 133: 155927, 2024 Oct.
Article in English | MEDLINE | ID: mdl-39096543

ABSTRACT

BACKGROUND: Moxibustion, a traditional Chinese medicine practice, employs Moxa Wool, derived from Artemisia argyi. Flavonoids, the key pharmacological constituents in Moxa Wool, are known for their anti-inflammatory and analgesic properties. The purity of Moxa Wool, particularly its flavonoid content, directly influences the efficacy of moxibustion treatments. However, quantifying these bioactive flavonoids accurately and non-destructively has been a challenge. PURPOSE: This study introduces terahertz spectroscopy as a non-destructive optical detection method for qualitative detection and quantitative analysis of flavonoids in Moxa Wool. By establishing a mathematical model between spectral signals and clinical efficacy, a reliable correlation between flavonoid concentration and the therapeutic effect of moxibustion can be established, providing a potential predictive model for the treatment outcomes of rheumatoid arthritis. STUDY DESIGN: We adopted terahertz spectroscopy technology and combined it with terahertz metamaterial biosensors to achieve rapid, efficient, and non-destructive testing of the quality of Moxa Wool. This method reduces the detection time from hours to minutes while lowering the sample detection limit, overcoming the limitations of traditional detection methods in pharmacological research. METHODS: Through terahertz metamaterial biosensors, rapid detection of the purity of Moxa Wool has been achieved. A combination of molecular simulation and terahertz spectroscopy was used to quantitatively analyze the flavonoid content in different purities of Moxa Wool. To ensure accuracy, the quantitative results of flavonoids obtained by terahertz spectroscopy were validated using high-performance liquid chromatography (HPLC). In addition, moxibustion treatment was performed on rats with rheumatoid arthritis using Moxa Wool, and medical indicator information was recorded. A mathematical analysis model was established to evaluate the correlation between flavonoid content and analgesic and anti-inflammatory effects. RESULTS: Terahertz spectroscopy analysis shows that there is a direct correlation between the flavonoid content in moxibustion and the absorption peak intensity. The maximum R2 in the model analysis is 0.98, indicating a high accuracy in predicting the purity of Moxa Wool. These results were also validated by HPLC. In a rat model, the purity of 30:1 Moxa Wool samples showed a 50 % decrease in TNF-α, IL-1ß, and IL-6 levels during treatment compared to low-purity samples, significantly reducing inflammation markers and pain symptoms. Meanwhile, The PLS prediction model established a correlation between terahertz-detected flavonoid levels and treatment outcomes (PWL and IL-1ß). The maximum R2 in the model is 0.91, indicating a high correlation between flavonoid levels and the anti-inflammatory and analgesic effects of moxibustion treatment. CONCLUSION: This study not only demonstrates the effectiveness of terahertz spectroscopy in the pharmacological quantification of bioactive compounds but also establishes a novel predictive model for the efficacy of moxibustion in rheumatoid arthritis treatment. It underscores the potential of integrating traditional medicine insights with advanced technology to enhance therapeutic strategies in pharmacology.


Subject(s)
Arthritis, Rheumatoid , Flavonoids , Moxibustion , Terahertz Spectroscopy , Flavonoids/analysis , Animals , Moxibustion/methods , Arthritis, Rheumatoid/therapy , Arthritis, Rheumatoid/drug therapy , Terahertz Spectroscopy/methods , Rats , Artemisia/chemistry , Rats, Sprague-Dawley , Treatment Outcome , Male , Arthritis, Experimental/therapy , Anti-Inflammatory Agents/chemistry , Medicine, Chinese Traditional , Wool/chemistry
3.
Analyst ; 149(18): 4605-4614, 2024 Sep 09.
Article in English | MEDLINE | ID: mdl-39037577

ABSTRACT

L-Glutamic acid (L-Glu) is a basic unit of proteins and also serves as an important neurotransmitter in the central nervous system. Its structural properties are critical for biological functions and selective receptor recognition. Although this molecule has been extensively studied, the low frequency vibrational behavior that is closely related to conformational changes and the intermolecular interactions between L-Glu and its receptors are still unclear. In this study, we acquired the fingerprint spectrum of L-Glu by using air plasma terahertz (THz) time-domain spectroscopy in the 0.5-18 THz range. The low frequency vibrational characteristics of L-Glu were investigated through density functional theory (DFT) calculations. The THz responses of the ligand binding domain of the NMDAR-L-Glu complex were studied by the ONIOM method, with a focus on discussing the normal modes and interactions of ligand L-Glu and water molecules. The results illustrate that THz spectroscopy exhibits a sensitive response to the influence of L-Glu on the structure of the NMDAR. The water molecules in proteins have various strong vibration modes in the THz band, showing specificity, diversity and complexity of vibrational behavior. There is potential for influencing and regulating the structural stability of the NMDAR-L-Glu complex through water molecules.


Subject(s)
Glutamic Acid , Receptors, N-Methyl-D-Aspartate , Terahertz Spectroscopy , Terahertz Spectroscopy/methods , Glutamic Acid/chemistry , Receptors, N-Methyl-D-Aspartate/chemistry , Receptors, N-Methyl-D-Aspartate/metabolism , Vibration , Water/chemistry , Density Functional Theory , Ligands , Protein Binding
4.
Int J Pharm ; 662: 124534, 2024 Sep 05.
Article in English | MEDLINE | ID: mdl-39079591

ABSTRACT

The process analytical technology (PAT) framework is well established and integral to facilitate process understanding, enable a transition from batch to continuous manufacturing, and improve product quality. Near-infrared (NIR) spectroscopy has been established as a standard PAT tool for many process analytical challenges, including monitoring powder blend homogeneity. However, alternative technologies for monitoring powder blending are of interest due to the importance of the blending step in manufacturing solid oral dosage forms. Terahertz time-domain spectroscopy (THz-TDS) is therefore explored in this study as an alternative tool for monitoring blend homogeneity with the potential for endpoint control in a batch blending process. Powder blends of microcrystalline cellulose (MCC) and dibasic calcium phosphate dihydrate and blends of MCC and granulated α-lactose monohydrate were investigated non-invasively at various compositions using THz-TDS in transmission mode for acquiring spectra from samples enclosed in the blending container. It was found that attenuation- and phase-related parameters acquired with THz-TDS could reliably resolve physical changes related to the homogeneity of the blend. Further evaluations revealed that changes in the bulk density of the blend, in addition to the intrinsic optical properties of the materials, played a critical role in the observed trends for both systems. In contrast, the scattering contribution of the powder was mainly crucial for the attenuation-related parameter in blends with materials of high refractive indices. Finally, THz-TDS measurements were acquired throughout a blending process mimicking a continuous acquisition. The method could follow blending dynamics and resulted in reasonable predictive errors of the content of 0.5 - 2.5 %. Relative standard deviations for high content blends (20 %) were acceptable (3 - 7 %) whereas at low contents (5 %) significantly higher values (9 - 35 %) were found. Based on these findings, THz-TDS is a feasible PAT tool for monitoring blend homogeneity and controlling high content blend processes, although precision and accuracy is considered to improve with a more suitable interface.


Subject(s)
Cellulose , Excipients , Lactose , Powders , Technology, Pharmaceutical , Lactose/chemistry , Cellulose/chemistry , Powders/chemistry , Technology, Pharmaceutical/methods , Excipients/chemistry , Administration, Oral , Calcium Phosphates/chemistry , Terahertz Spectroscopy/methods , Drug Compounding/methods , Proof of Concept Study , Chemistry, Pharmaceutical/methods , Spectroscopy, Near-Infrared/methods
5.
Spectrochim Acta A Mol Biomol Spectrosc ; 322: 124803, 2024 Dec 05.
Article in English | MEDLINE | ID: mdl-39003828

ABSTRACT

Chirality plays an important role in medicine, biology, and chemistry. Molecules of different chirality could display dramatically different medical effects, pharmacological activities, and physiological impacts. Ibuprofen is an important anti-inflammatory drug in clinics. The anti-inflammatory effect is almost solely attributed to the (S)-(+)-Ibuprofen, while its enantiomer (R)-(-)-Ibuprofen plays a negative effect on increasing the metabolic burden. In this work, a terahertz (THz) polarization-sensitive metasurface sensor is proposed for qualitative and quantitative identification of the chiral Ibuprofen. The chirality parameters of Ibuprofen are extracted from the circular-polarized transmission coefficients. The parameters are further used to simulate the coupling mechanism between the Ibuprofen and the sensor to explain the principle of recognition. The sensitivities of (R)-(-)-Ibuprofen and (S)-(+)-Ibuprofen are found to be 1.5 THz/(mg/L) and 1.8 THz/(mg/L) for the TM polarization, respectively, and 1.7 THz/(mg/L) and 2.1 THz/(mg/L) for the TE polarization, respectively. The difference enables the chirality identification according to the different frequency shift at the same concentration. The exceptional specificity and sensitivity provide a new avenue for chiral molecular recognition.


Subject(s)
Ibuprofen , Terahertz Spectroscopy , Ibuprofen/chemistry , Ibuprofen/analysis , Stereoisomerism , Terahertz Spectroscopy/methods
6.
Sci Rep ; 14(1): 17546, 2024 07 30.
Article in English | MEDLINE | ID: mdl-39079961

ABSTRACT

In this study we present the first in vivo clinical study of patients with eczema and psoriasis using terahertz (THz) sensing. Eczema and psoriasis patients were measured using a handheld THz scanner, both before and after the application of moisturiser. We show that THz sensing can distinguish between dry and healthy skin in different regions of the body. Furthermore, the impact of applying moisturiser on the skin can also be observed and potentially evaluated using THz light.


Subject(s)
Eczema , Psoriasis , Humans , Female , Male , Adult , Middle Aged , Skin/metabolism , Skin/pathology , Aged , Terahertz Spectroscopy/methods
7.
Proc Natl Acad Sci U S A ; 121(26): e2319676121, 2024 Jun 25.
Article in English | MEDLINE | ID: mdl-38900801

ABSTRACT

The photoinduced all-trans to 13-cis isomerization of the retinal Schiff base represents the ultrafast first step in the reaction cycle of bacteriorhodopsin (BR). Extensive experimental and theoretical work has addressed excited-state dynamics and isomerization via a conical intersection with the ground state. In conflicting molecular pictures, the excited state potential energy surface has been modeled as a pure S[Formula: see text] state that intersects with the ground state, or in a 3-state picture involving the S[Formula: see text] and S[Formula: see text] states. Here, the photoexcited system passes two crossing regions to return to the ground state. The electric dipole moment of the Schiff base in the S[Formula: see text] and S[Formula: see text] state differs strongly and, thus, its measurement allows for assessing the character of the excited-state potential. We apply the method of ultrafast terahertz (THz) Stark spectroscopy to measure electric dipole changes of wild-type BR and a BR D85T mutant upon electronic excitation. A fully reversible transient broadening and spectral shift of electronic absorption is induced by a picosecond THz field of several megavolts/cm and mapped by a 120-fs optical probe pulse. For both BR variants, we derive a moderate electric dipole change of 5 [Formula: see text] 1 Debye, which is markedly smaller than predicted for a neat S[Formula: see text]-character of the excited state. In contrast, S[Formula: see text]-admixture and temporal averaging of excited-state dynamics over the probe pulse duration gives a dipole change in line with experiment. Our results support a picture of electronic and nuclear dynamics governed by the interaction of S[Formula: see text] and S[Formula: see text] states in a 3-state model.


Subject(s)
Bacteriorhodopsins , Retinaldehyde , Bacteriorhodopsins/chemistry , Bacteriorhodopsins/metabolism , Retinaldehyde/chemistry , Retinaldehyde/metabolism , Terahertz Spectroscopy/methods , Schiff Bases/chemistry , Halobacterium salinarum/metabolism , Halobacterium salinarum/chemistry , Isomerism
8.
Sensors (Basel) ; 24(11)2024 Jun 04.
Article in English | MEDLINE | ID: mdl-38894440

ABSTRACT

Quasi-bound state in the continuum (QBIC) can effectively enhance the interaction of terahertz (THz) wave with matter due to the tunable high-Q property, which has a strong potential application in the detection of low-concentration biological samples in the THz band. In this paper, a novel THz metamaterial sensor with a double-chain-separated resonant cavity structure based on QBIC is designed and fabricated. The process of excitation of the QBIC mode is verified and the structural parameters are optimized after considering the ohmic loss by simulations. The simulated refractive index sensitivity of the sensor is up to 544 GHz/RIU, much higher than those of recently reported THz metamaterial sensors. The sensitivity of the proposed metamaterial sensor is confirmed in an experiment by detecting low-concentration lithium citrate (LC) and bovine serum albumin (BSA) solutions. The limits of detection (LoDs) are obtained to be 0.0025 mg/mL (12 µM) for LC and 0.03125 mg/mL (0.47 µM) for BSA, respectively, both of which excel over most of the reported results in previous studies. These results indicate that the proposed THz metamaterial sensor has excellent sensing performances and can well be applied to the detection of low-concentration biological samples.


Subject(s)
Biosensing Techniques , Serum Albumin, Bovine , Serum Albumin, Bovine/chemistry , Biosensing Techniques/methods , Biosensing Techniques/instrumentation , Limit of Detection , Animals , Terahertz Radiation , Cattle , Terahertz Spectroscopy/methods , Refractometry , Lithium Compounds/chemistry , Citric Acid/chemistry
9.
Food Res Int ; 186: 114400, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38729703

ABSTRACT

Since hydrothermal treatments can enhance resistant starch (RS) content in rice and provide health benefits when consumed, a less laborious and non-destructive method to determine RS content is needed. Terahertz (THz) spectroscopy is hypothesized as a suitable method to quantify RS content in rice after hydrothermal treatment with its sensitivity for the intermolecular forces increase in the formation of RS. In this study, we first used the traditional in vitro hydrolysis method to determine the content of RS in rice. Then, the potential of starch absorbance peaks to quantify RS content after three commonly used hydrothermal methods, soaking, mild heat-moisture treatment, and parboiling, was investigated. The second derivative intensities of the peak at 9.0, 10.5, 12.1, and 13.1 THz were confirmed as being correlated with RS content and showed the high accuracy to predict RS content in samples (R2 > 0.96). Our results indicate the RS content of hydrothermally treated rice can be accurately quantified using these peaks.


Subject(s)
Hot Temperature , Oryza , Starch , Terahertz Spectroscopy , Oryza/chemistry , Starch/analysis , Terahertz Spectroscopy/methods , Hydrolysis , Resistant Starch/analysis , Food Handling/methods , Water/chemistry
10.
Molecules ; 29(10)2024 May 17.
Article in English | MEDLINE | ID: mdl-38792227

ABSTRACT

Progesterone (PROG) and estrone (E1) are typical reproductive hormones in dairy cows. Assessing the levels of these hormones in vivo can aid in estrus identification. In the present work, the feasibility of the qualitative and quantitative detection of PROG and E1 using terahertz time-domain spectroscopy (THz-TDS) and metamaterial technology was preliminarily investigated. First, the time domain spectra, frequency domain spectra, and absorption coefficients of PROG and E1 samples were collected and analyzed. A vibration analysis was conducted using density functional theory (DFT). Subsequently, a double-ring (DR) metamaterial structure was designed and simulated using the frequency domain solution algorithm in CST Studio Suite (CST) software. This aimed to ensure that the double resonance peaks of DR were similar to the absorption peaks of PROG and E1. Finally, the response of DR to different concentrations of PROG/E1 was analyzed and quantitatively modeled. The results show that a qualitative analysis can be conducted by comparing the corresponding DR resonance peak changes in PROG and E1 samples at various concentrations. The best R2 for the PROG quantitative model was 0.9872, while for E1, it was 0.9828. This indicates that terahertz spectral-metamaterial technology for the qualitative and quantitative detection of the typical reproductive hormones PROG and E1 in dairy cows is feasible and worthy of in-depth exploration. This study provides a reference for the identification of dairy cow estrus.


Subject(s)
Estrone , Progesterone , Terahertz Spectroscopy , Cattle , Animals , Progesterone/analysis , Female , Terahertz Spectroscopy/methods , Estrone/analysis , Dairying
11.
Spectrochim Acta A Mol Biomol Spectrosc ; 316: 124351, 2024 Aug 05.
Article in English | MEDLINE | ID: mdl-38692109

ABSTRACT

Epidermal growth factor receptor (EGFR) plays a pivotal role in the initiation and progression of gliomas. In particular, in glioblastoma, EGFR amplification emerges as a catalyst for invasion, proliferation, and resistance to radiotherapy and chemotherapy. Current approaches are not capable of providing rapid diagnostic results of molecular pathology. In this study, we propose a terahertz spectroscopic approach for predicting the EGFR amplification status of gliomas for the first time. A machine learning model was constructed using the terahertz response of the measured glioma tissues, including the absorption coefficient, refractive index, and dielectric loss tangent. The novelty of our model is the integration of three classical base classifiers, i.e., support vector machine, random forest, and extreme gradient boosting. The ensemble learning method combines the advantages of various base classifiers, this model has more generalization ability. The effectiveness of the proposed method was validated by applying an individual test set. The optimal performance of the integrated algorithm was verified with an area under the curve (AUC) maximum of 85.8 %. This signifies a significant stride toward more effective and rapid diagnostic tools for guiding postoperative therapy in gliomas.


Subject(s)
ErbB Receptors , Glioma , Terahertz Spectroscopy , Humans , Glioma/genetics , Glioma/pathology , Glioma/diagnosis , ErbB Receptors/genetics , ErbB Receptors/metabolism , Terahertz Spectroscopy/methods , Machine Learning , Brain Neoplasms/genetics , Brain Neoplasms/pathology , Gene Amplification , Algorithms , Support Vector Machine
12.
Int J Mol Sci ; 25(8)2024 Apr 11.
Article in English | MEDLINE | ID: mdl-38673827

ABSTRACT

We report a study on the hydrogen bonding mechanisms of three aliphatic alcohols (2-propanol, methanol, and ethanol) and one diol (ethylene glycol) in water solution using a time-domain ellipsometer in the THz region. The dielectric response of the pure liquids is nicely modeled by the generalized Debye-Lorentz equation. For binary mixtures, we analyze the data using a modified effective Debye model, which considers H-bond rupture and reformation dynamics and the motion of the alkyl chains and of the OH groups. We focus on the properties of the water-rich region, finding anomalous behavior in the absorption properties at very low solute molar concentrations. These results, first observed in the THz region, are in line with previous findings from different experiments and can be explained by taking into account the amphiphilic nature of the alcohol molecules.


Subject(s)
Alcohols , Hydrogen Bonding , Water , Water/chemistry , Alcohols/chemistry , Terahertz Spectroscopy/methods , Ethanol/chemistry , 2-Propanol/chemistry
13.
Talanta ; 274: 125968, 2024 Jul 01.
Article in English | MEDLINE | ID: mdl-38581849

ABSTRACT

Panax notoginseng (P. notoginseng), a Chinese herb containing various saponins, benefits immune system in medicines development, which from Wenshan (authentic cultivation) is often counterfeited by others for large demand and limited supply. Here, we proposed a method for identifying P. notoginseng origin combining terahertz (THz) precision spectroscopy and neural network. Based on the comparative analysis of four qualitative identification methods, we chose high-performance liquid chromatography (HPLC) and THz spectroscopy to detect 252 samples from five origins. After classifications using Convolutional Neural Networks (CNNs) model, we found that the performance of THz spectra was superior to that of HPLC. The underlying mechanism is that there are clear nonlinear relations among the THz spectra and the origins due to the wide spectra and multi-parameter characteristics, which makes the accuracy of five-classification origin identification up to 97.62%. This study realizes the rapid, non-destructive and accurate identification of P. notoginseng origin, providing a practical reference for herbal medicine.


Subject(s)
Neural Networks, Computer , Panax notoginseng , Terahertz Spectroscopy , Panax notoginseng/chemistry , Terahertz Spectroscopy/methods , Chromatography, High Pressure Liquid/methods , Drugs, Chinese Herbal/chemistry , Drugs, Chinese Herbal/analysis , Algorithms
14.
ACS Sens ; 9(4): 2122-2133, 2024 04 26.
Article in English | MEDLINE | ID: mdl-38602840

ABSTRACT

Terahertz (THz) spectroscopy has impressive capability for label-free biosensing, but its utility in clinical laboratories is rarely reported due to often unsatisfactory detection performances. Here, we fabricated metal-graphene hybrid THz metasurfaces (MSs) for the sensitive and enzyme-free detection of circulating tumor DNA (ctDNA) in pancreatic cancer plasma samples. The feasibility and mechanism of the enhanced effects of a graphene bridge across the MS and amplified by gold nanoparticles (AuNPs) were investigated experimentally and theoretically. The AuNPs serve to boost charge injection in the graphene film and result in producing a remarkable change in the graded transmissivity index to THz radiation of the MS resonators. Assay design utilizes this feature and a cascade hybridization chain reaction initiated on magnetic beads in the presence of target ctDNA to achieve dual signal amplification (chemical and optical). In addition to demonstrating subfemtomolar detection sensitivity and single-nucleotide mismatch selectivity, the proposed method showed remarkable capability to discriminate between pancreatic cancer patients and healthy individuals by recognizing and quantifying targeted ctDNAs. The introduction of graphene to the metasurface produces an improved sensitivity of 2 orders of magnitude for ctDNA detection. This is the first study to report the combined application of graphene and AuNPs in biosensing by THz spectroscopic resonators and provides a combined identification scheme to detect and discriminate different biological analytes, including nucleic acids, proteins, and various biomarkers.


Subject(s)
Circulating Tumor DNA , Gold , Graphite , Metal Nanoparticles , Pancreatic Neoplasms , Graphite/chemistry , Humans , Gold/chemistry , Metal Nanoparticles/chemistry , Circulating Tumor DNA/blood , Circulating Tumor DNA/genetics , Circulating Tumor DNA/analysis , Pancreatic Neoplasms/blood , Pancreatic Neoplasms/diagnosis , Biosensing Techniques/methods , Terahertz Spectroscopy/methods , Nucleic Acid Hybridization , Limit of Detection
15.
J Biophotonics ; 17(6): e202400003, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38651304

ABSTRACT

This paper introduces a spectral analysis method for monitoring the human skin in vivo based on a combination of terahertz time-domain spectroscopy (THz-TDS) and optical coherence tomography (OCT). The method can quantitatively measure the refractive index, thickness and transmission coefficient of epidermis, and the refractive index of dermis in natural, as well as the tension condition of the skin. An optically reflective model for the multilayer structure of the skin is first established. The initial thickness of the epidermis is then measured by OCT as a known quantity for the established model. By fitting the established model to the experimentally obtained THz-TDS signals, the above parameters of the skin can be calibrated. Furthermore, the dependence of these skin parameters on the tension status are investigated. This study provides a means for terahertz technology to measure the skin in vivo.


Subject(s)
Skin , Terahertz Spectroscopy , Tomography, Optical Coherence , Humans , Terahertz Spectroscopy/methods , Skin/diagnostic imaging , Time Factors , Epidermis/diagnostic imaging
16.
J Oleo Sci ; 73(4): 419-427, 2024.
Article in English | MEDLINE | ID: mdl-38556277

ABSTRACT

Phospholipids and surfactants form membranes and other self-assembled structures in water. However, it is not fully understood how the surrounding water (hydration water) is involved in their structure formation. In this paper, I summarize the results of our investigation of the long-range hydration state of phospholipids and surfactants at their surfaces by means of terahertz spectroscopy. By observing the collective rotational dynamics of water in the picosecond time scale, this technique allows us to observe not only the water directly bound to the solute, but also the weakly affected water outside of it. For example, PC phospholipids inhibit water dynamics over long distances, whereas PE phospholipids make water more mobile than bulk water. The causes of this difference in hydration and how it is involved in the structural formation of the membrane are reviewed.


Subject(s)
Pulmonary Surfactants , Terahertz Spectroscopy , Lipoproteins , Phospholipids/chemistry , Surface-Active Agents , Terahertz Spectroscopy/methods , Water/chemistry
17.
IEEE Trans Biomed Eng ; 71(7): 2180-2188, 2024 Jul.
Article in English | MEDLINE | ID: mdl-38335072

ABSTRACT

Terahertz (THz) metasurfaces based on high Q-factor electromagnetically induced transparency-like (EIT-like) resonances are promising for biological sensing. Despite this potential, they have not often been investigated for practical differentiation between cancerous and healthy cells. The present methodology relies mainly on refractive index sensing, while factors of transmission magnitude and Q-factor offer significant information about the tumors. To address this limitation and improve sensitivity, we fabricated a THz EIT-like metasurface based on asymmetric resonators on an ultra-thin and flexible dielectric substrate. Bright-dark modes coupling at 1.96 THz was experimentally verified, and numerical results and theoretical analysis were presented. An enhanced theoretical sensitivity of 550 GHz/RIU was achieved for a sample with a thickness of 13 µm due to the ultra-thin substrate and novel design. A two-layer skin model was generated whereby keratinocyte cell lines were cultured on a base of collagen. When NEB1-shPTCH (basal cell carcinoma (BCC)) were switched out for NEB1-shCON cell lines (healthy) and when BCC's density was raised from 1 × 105 to 2.5 × 105, a frequency shift of 40 and 20 GHz were observed, respectively. A combined sensing analysis characterizes different cell lines. The findings may open new opportunities for early cancer detection with a fast, less-complicated, and inexpensive method.


Subject(s)
Skin Neoplasms , Humans , Skin Neoplasms/pathology , Equipment Design , Cell Line, Tumor , Terahertz Spectroscopy/methods , Terahertz Spectroscopy/instrumentation , Keratinocytes/radiation effects , Keratinocytes/cytology
18.
Spectrochim Acta A Mol Biomol Spectrosc ; 311: 124015, 2024 Apr 15.
Article in English | MEDLINE | ID: mdl-38359515

ABSTRACT

Rice grains are often infected by Sitophilus oryzae due to improper storage, resulting in quality and quantity losses. The efficacy of terahertz time-domain spectroscopy (THz-TDS) technology in detecting Sitophilus oryzae at different stages of infestation in stored rice was employed in the current research. Terahertz (THz) spectra for rice grains infested by Sitophilus oryzae at different growth stages were acquired. Then, the convolutional denoising autoencoder (CDAE) was used to reconstruct THz spectra to reduce the noise-to-signal ratio. Finally, a random forest classification (RFC) model was developed to identify the infestation levels. Results showed that the RFC model based on the reconstructed second-order derivative spectrum with an accuracy of 84.78%, a specificity of 86.75%, a sensitivity of 86.36% and an F1-score of 85.87% performed better than the original first-order derivative THz spectrum with an accuracy of 89.13%, a specificity of 91.38%, a sensitivity of 88.18% and an F1-score of 89.16%. In addition, the convolutional layers inside the CDAE were visualized using feature maps to explain the improvement in results, illustrating that the CDAE can eliminate noise in the spectral data. Overall, THz spectra reconstructed with the CDAE provided a novel method for effective THz detection of infected grains.


Subject(s)
Oryza , Terahertz Spectroscopy , Weevils , Animals , Oryza/chemistry , Terahertz Spectroscopy/methods
19.
J Chromatogr A ; 1710: 464384, 2023 Nov 08.
Article in English | MEDLINE | ID: mdl-37801940

ABSTRACT

Terahertz (THz) time-domain spectroscopy (TDS) is a recently emerging analysis method which can provide unique information on molecular vibration and rotation induced by inter/intra-molecular interactions. Although the application of THz-TDS to high-performance microscale separation methods like capillary electrophoresis (CE) has been anticipated, it has been hindered due to the diffraction limit of THz wave (typically, hundreds µm). In order to realize CE-THz-TDS, in this study, we placed a narrow open-tubular capillary on the surface of a GaAs semiconductor substrate as a "localized" THz-emitter. By focusing femtosecond pulsed laser beams at the surface of a gallium arsenide (GaAs) substrate closest to the capillary, THz waves were locally generated to pass through the capillary, so that THz absorbance spectra were obtained from the capillary which has narrower inner diameter than the diffraction limit. As a typical result from acetic acid analysis in the CE-THz-TDS platform, information on the refractive index and extinction coefficient was obtained, which showed non-linear and linear concentration dependence, respectively, similar to conventional THz-TDS using large liquid cells. Finally, CE-THz-TDS analysis of several carboxylic acids was demonstrated. Two acids were successfully separated and detected with THz-TDS, where their electrophoretic mobility values were estimated as close to those obtained with conventional contactless conductivity detection. Our proposed CE-THz-TDS showed the potential for the systematic analysis of inter/intra-molecular weak interactions like hydrogen bonds, which are unable to obtain with conventional detectors.


Subject(s)
Terahertz Spectroscopy , Spectrum Analysis , Terahertz Spectroscopy/methods , Electrophoresis, Capillary , Carboxylic Acids
20.
Sensors (Basel) ; 23(19)2023 Oct 07.
Article in English | MEDLINE | ID: mdl-37837119

ABSTRACT

With chronic ocular diseases such as glaucoma and dry eye syndrome, patients have to apply eye drops over the long term. The therapeutic effects of eye drops depend on the amount of drug contained and the stability of the solution. In addition, contamination during usage and transport can also negatively affect the quality and efficacy of eye drops. The current techniques for the characterization of eye drops are often complicated and time-consuming. Developing a fast and non-invasive way of accurately measuring eye drop quality remains an ongoing challenge. The biggest challenge and primary prerequisite for the application of this new detection technique for eye drops is the obtention of a sufficient spectral response and resolvable signal, considering the large background signal contributed by water. In this work, we use terahertz (THz) attenuated total reflection (ATR) spectroscopy combined with a sensitive hybrid graphene oxide (GO) and carbon nanotube (CNT) thin-film sensors to obtain distinct THz spectral signals in commercial eye drops. Various commercial eye drop products have been tested, and we show that they can be differentiated via their spectral signals. Our results provide a solid foundation for the future fine analysis of eye drops and the detection of their quality. Furthermore, THz spectroscopy combined with GO/CNT films has significant potential and advantages for the non-destructive characterization of aqueous pharmaceutical products.


Subject(s)
Dry Eye Syndromes , Glaucoma , Terahertz Spectroscopy , Humans , Ophthalmic Solutions/therapeutic use , Glaucoma/drug therapy , Dry Eye Syndromes/diagnosis , Dry Eye Syndromes/drug therapy , Terahertz Spectroscopy/methods
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