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The Effect of Noise in Raman Spectra on the Reconstruction of the Concentration of Amino Acids in the Mixture by Multivariate Curve Resolution (MCR) Analysis 拉曼光谱中的噪声对多元曲线分辨率(MCR)分析重建混合物中氨基酸浓度的影响
Q3 Physics and Astronomy Pub Date : 2021-06-30 DOI: 10.18287/jbpe21.07.020309
I. Matveeva, L. Bratchenko, O. Myakinin, E. Tupikova, V. Zakharov
Changes in the concentration of free amino acids in biological tissues is a sign of impaired protein metabolism in patients with cancer. Recently, Raman spectroscopy has been used for early diagnostics of oncological diseases. The concentrations of individual components of biological tissue (for instance, the concentrations of amino acids) can be obtained by decomposing the tissue Raman spectrum. This study was designed to evaluate the effect of noise in the Raman spectra of individual amino acids on the result of the decomposition of the spectra of an amino acid mixture. As a decomposition method, we used Multivariate Curve Resolution-Alternating Least Squares (MCR–ALS) analysis and investigate experimental Raman spectra of amino acids and mathematically simulated Raman spectra of amino acid mixtures. Noise with different signal-to-noise ratios (SNR) was artificially added to both the experimental spectra of pure amino acids and the spectra of the mixtures. Concentration values for each amino acid obtained as a result of applying the MCR–ALS analysis have been compared with the corresponding true values and the correlation coefficients have been calculated. The results show a less pronounced negative effect of noise in the case when the spectra of pure amino acids (which were used as a basis for the MCR–ALS analysis) are noisy, and a more pronounced negative effect when the spectrum of the mixture is noisy. The accuracy of reconstruction of an amino acid is also negatively affected by strong background fluorescence in the amino acid spectrum. Moreover, the results indicate that using the basis spectra with a high SNR (SNR = 5) makes it possible to successfully estimate the amino acid concentrations in a mixture even when the Raman spectrum of the mixture is noisy and has a low SNR (SNR < 5).
生物组织中游离氨基酸浓度的变化是癌症患者蛋白质代谢受损的标志。最近,拉曼光谱已被用于肿瘤学疾病的早期诊断。生物组织的各个成分的浓度(例如氨基酸的浓度)可以通过分解组织拉曼光谱来获得。本研究旨在评估单个氨基酸拉曼光谱中的噪声对氨基酸混合物光谱分解结果的影响。作为一种分解方法,我们使用多元曲线分辨率交替最小二乘法(MCR–ALS)分析,研究了氨基酸的实验拉曼光谱和氨基酸混合物的数学模拟拉曼光谱。将具有不同信噪比(SNR)的噪声人工添加到纯氨基酸的实验光谱和混合物的光谱中。通过应用MCR–ALS分析获得的每个氨基酸的浓度值已与相应的真实值进行了比较,并计算了相关系数。结果表明,当纯氨基酸的光谱(用作MCR–ALS分析的基础)有噪声时,噪声的负面影响不太明显,而当混合物的光谱有噪声时则有更明显的负面影响。氨基酸重建的准确性也受到氨基酸光谱中强背景荧光的负面影响。此外,结果表明,即使当混合物的拉曼光谱有噪声并且具有低SNR(SNR<5)时,使用具有高SNR(信噪比=5)的基础光谱也可以成功地估计混合物中的氨基酸浓度。
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引用次数: 1
Optical Biopsy of Amelanotic Melanoma with Raman and Autofluorescence Spectra Stimulated by 785 nm Laser Excitation 785nm激光激发拉曼光谱和自身荧光光谱对无晶状体黑色素瘤的光学活检
Q3 Physics and Astronomy Pub Date : 2021-06-30 DOI: 10.18287/jbpe21.07.020308
I. Bratchenko, Y. Khristoforova, L. Bratchenko, A. Moryatov, S. Kozlov, E. Borisova, V. Zakharov
In this work, Raman and autofluorescence spectroscopy in the near-infrared region has been used for examining amelanotic melanoma as the most dangerous type of malignant melanoma. There were 9 patients with amelanotic melanoma, 60 with pigmented melanoma and 120 with basal cell carcinoma enrolled in this study. We studied 9 amelanotic melanoma cases to differentiate them from basal cell carcinoma (n = 120) and pigmented malignant melanoma (n = 60) using portable spectroscopy setup with laser excitation source at 785 nm and low-cost spectrometer. The spectra of the different tumor type were classified using projection on the latent structure analysis with 10-Fold cross-validation. The results of the tumor classification were presented using box-plot diagrams and ROC analysis. We obtained 0.53 and 0.88 ROC AUCs for distinguishing amelanotic melanoma versus (1) pigmented melanoma and (2) basal cell carcinoma respectively based on the joint autofluorescence and Raman spectroscopy analysis that allowed one to diagnose amelanotic melanoma as true melanoma but no basal cell carcinoma.
在这项工作中,近红外区域的拉曼光谱和自发荧光光谱已被用于检测无色素黑色素瘤是最危险的恶性黑色素瘤类型。本研究共有9例无色素黑色素瘤患者、60例色素黑色素癌患者和120例基底细胞癌患者。我们研究了9例无色素黑色素瘤病例,用785nm激光激发源和低成本光谱仪的便携式光谱装置将其与基底细胞癌(n=120)和色素性恶性黑色素瘤(n=60)区分开来。使用10倍交叉验证的潜在结构分析投影对不同肿瘤类型的光谱进行分类。肿瘤分类的结果采用箱形图和ROC分析。基于联合自发荧光和拉曼光谱分析,我们分别获得了0.53和0.88 ROC AUC,用于区分无色素黑色素瘤与(1)色素黑色素色素瘤和(2)基底细胞癌,这使我们能够将无色素黑素瘤诊断为真正的黑色素瘤,但没有基底细胞癌。
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引用次数: 12
Features of the Secondary Structure of BSA – Containing Protein Complexes, Isolated from Milk of High Temperature Processing 高温加工牛奶中含牛血清白蛋白复合物的二级结构特征
Q3 Physics and Astronomy Pub Date : 2021-06-30 DOI: 10.18287/jbpe21.07.020307
I. Shatalov, A. Shatalova, L. Plotnikova, A. Shleikin
Present paper describes features of the component composition in the secondary structure of BSA–containing protein complexes isolated from ultra-pasteurized (UHT), sterilized (SHT) and powdered (DRY) milk. We have found β – sheets to present in all complexes investigated. However, the smallest number of such components have been revealed in samples derived from sterilized milk with less β – sheets in 1621–1626 cm–1 region. The composition study of the complexes originated from UHT milk has shown random coils to be the rarest in them. When considering the structure of the complexes isolated from powdered milk, the α – 310 – heliсes were more characteristic for such samples, then the α – helix. Moreover, during spray–drying, the number of random structures increase with a simultaneous decrease in the number of β – sheets, whereas in UHT – and SHT – processing the number of random structures is inversely proportional to the number of α – helices.
本文介绍了从超巴氏灭菌(UHT)、灭菌(SHT)和奶粉(DRY)中分离的含bsa蛋白复合物的二级结构组成特征。我们发现β -薄片存在于所有研究的复合物中。然而,在1621-1626 cm-1区域β -片数较少的无菌牛奶样品中,这些成分的数量最少。对来自UHT牛奶的络合物的成分研究表明,随机线圈是其中最罕见的。从奶粉中分离的配合物的结构来看,α - 310 -螺旋结构比α -螺旋结构更具有特征。此外,在喷雾干燥过程中,随机结构的数量随着β -片数的减少而增加,而在UHT -和SHT -处理过程中,随机结构的数量与α -螺旋的数量成反比。
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引用次数: 0
Optical Signature Analysis of Liver Ablation Stages Exploiting Spatio-Spectral Imaging 利用空间光谱成像对肝脏消融阶段的光学特征分析
Q3 Physics and Astronomy Pub Date : 2021-06-29 DOI: 10.18287/jbpe21.07.020306
M. Aref, R. Abdlaty, M. Abbass, Ibrahim H. Aboughaleb, A. Nassar, A. Youssef
Background and Objective: Thermal ablation modalities such as Radiofrequency ablation (RFA) / Microwave ablation (MWA) are deliberately used for marginally invasive tumor removal by escalating tissue temperature. For precise tumor extinguish, thermal ablation outcomes need routine monitoring for tissue necrosis in a challenging research task. The study aims to exploit hyperspectral imaging (HSI) to evaluate the impact of the liver tissue ablation. Materials and Methods: RFA with temperature range (≥80 °C) was accomplished on the ex vivo animal liver and evaluated using a spectral camera (400~1000 nm). The spectral signatures were extracted from the HSI data after the following processing steps: capturing three spectral data cubes for each liver sample with total 7-samples (before ablation, after ablation, and after ablation with sample slicing) using an HSI optical configuration. The custom HSI processing comprises “Top-hat and Bottom-hat transform” combined with “watershed transform” image segmentation to increase the intensity for a region of interest (ROI) of the investigated tissue, linking spectral and spatial data. Additionally, statistical analysis for HSI data was performed to exclusively select the best spectral band that discriminates between the normal, thermally-damaged, and ablated liver regions. Results: The variation of the optical parameters for the investigated liver samples provides variable interaction with the light diffuse reflection (Ŗd) over the spectrum range (400~1000 nm). Where, the extracting spectral information of the various tissue zones from the induced RFA linked to the hemoglobin, methemoglobin, and water permits variations. The generated spectral image after image enhancement utilizing “Top-hat and Bottom-hat transform” followed by “watershed segmentation”, showed high contrast between normal and thermal regions at a wavelength (600 nm). However, the wavelength (900 nm) shows a high variance between the normal and ablated regions. Finally, delineation of the thermal and ablated regions on the complemented enhanced image. Conclusion: HSI is considered a promising optical noninvasive technique for monitoring the RFA toward enhancing the ablation-based treatment for liver tumor outcomes.
背景和目的:射频消融(RFA)/微波消融(MWA)等热消融方式被有意用于通过升高组织温度进行微创肿瘤切除。为了精确扑灭肿瘤,热消融结果需要对组织坏死进行常规监测,这是一项具有挑战性的研究任务。本研究旨在利用高光谱成像(HSI)来评估肝组织消融的影响。材料和方法:在离体动物肝脏上完成温度范围(≥80°C)的RFA,并使用光谱相机(400~1000nm)进行评估。在以下处理步骤后,从HSI数据中提取光谱特征:使用HSI光学配置捕获每个肝脏样本的三个光谱数据立方体,总共7个样本(消融前、消融后和消融后,样本切片)。自定义HSI处理包括“顶帽和底帽变换”与“分水岭变换”图像分割相结合,以增加所研究组织的感兴趣区域(ROI)的强度,并连接光谱和空间数据。此外,对HSI数据进行统计分析,以专门选择区分正常、热损伤和消融肝脏区域的最佳光谱带。结果:所研究的肝脏样品的光学参数的变化在光谱范围(400~1000nm)内提供了与光漫反射(Ŗd)的可变相互作用。其中,从与血红蛋白、高铁血红蛋白和水相关的诱导RFA中提取各种组织区域的光谱信息允许变化。利用“顶帽和底帽变换”和“分水岭分割”进行图像增强后生成的光谱图像在波长(600nm)下显示出正常区域和热区域之间的高对比度。然而,波长(900nm)在正常区域和烧蚀区域之间显示出高的变化。最后,在补充增强图像上描绘热区域和烧蚀区域。结论:HSI被认为是一种很有前途的光学无创技术,用于监测RFA,以增强基于消融的肝肿瘤治疗效果。
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引用次数: 3
Influence of Activators and Inhibitors on the Collagenase with Collagen Interaction Monitored by Dynamic Light Scattering in Solutions 用溶液中的动态光散射监测激活剂和抑制剂对胶原酶与胶原相互作用的影响
Q3 Physics and Astronomy Pub Date : 2021-06-02 DOI: 10.18287/jbpe21.07.020305
I. Sergeeva, Anna Petrova, A. Shlenskaya, G. Petrova
Real–time digestion of type I collagen molecules by bacterial collagenase from Clostridium histolyticum has been monitored using Dynamic Light Scattering method. Time dependencies for translation diffusion coefficient (Dt) and hydrodynamic radius (RH) on were obtained for pure “collagen + collagenase” Tris–HCl buffer solution at different temperatures and for solutions with added CaCl2, ZnCl2 and MgCl2 and EDTA. It was shown that digestion of type I collagen molecules by bacterial collagenase is the first-order reaction. Reaction rate coefficients were calculated.
使用动态光散射法监测了溶组织梭菌中细菌胶原酶对I型胶原分子的实时消化。获得了不同温度下纯“胶原蛋白+胶原酶”Tris–HCl缓冲溶液以及添加CaCl2、ZnCl2、MgCl2和EDTA的溶液的平移扩散系数(Dt)和流体动力学半径(RH)的时间依赖性。研究表明,细菌胶原酶对I型胶原分子的消化是一级反应。计算反应速率系数。
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引用次数: 1
Issue Info: J of Biomedical Photonics & Eng 7(2) 问题简介:生物医学光子学与工程杂志7(2)
Q3 Physics and Astronomy Pub Date : 2021-06-01 DOI: 10.18287/jbpe21.07.020001
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引用次数: 0
Cover: J of Biomedical Photonics & Eng 7(2) 封面:生物医学光子学与工程学报7(2)
Q3 Physics and Astronomy Pub Date : 2021-06-01 DOI: 10.18287/jbpe21.07.020000
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引用次数: 0
Issue Info: J of Biomedical Photonics & Eng 7(1) 期刊信息:J . Biomedical Photonics & engineering 7(1)
Q3 Physics and Astronomy Pub Date : 2021-04-15 DOI: 10.18287/jbpe21.07.010001
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引用次数: 0
Recent Advances in the Laser Radiation Transport through the Head Tissues of Humans and Animals – A Review 激光辐射通过人和动物头部组织传输的最新进展——综述
Q3 Physics and Astronomy Pub Date : 2020-12-01 DOI: 10.18287/JBPE20.06.040201
Ala H. Sabeeh, V. Tuchin
Modern studies of the penetration of light into biological tissues is becoming very important in various medical applications. This is an important factor for determining the optical dose in many diagnostic and therapeutic procedures. The absorption and scattering properties of the tissue under study determine how deeply the light will penetrate into the tissue. However, these optical properties are highly dependent on the wavelength of the light source and tissue condition. This overview paper analyzes the transmission of light through different areas of human and animal head tissues, and the optimal laser wavelength and power density required to reach different parts of the brain are determined using lasers with different wavelengths by comparing the distribution of fluence, penetration depth and the mechanism of interaction between laser light and head tissues. The power variation in different regions of the head is presented, as estimated using Monte Carlo (MC) simulations. Data are analyzed for the absorption and scattering coefficients of the head tissue layers (scalp, skull, brain), calculated using integrating sphere measurements and inverse problem solving algorithms such as inverse MC (IMC) and adding-doubling (IAD). This study not only offered a quantitative comparison between wavelengths in terms of light transmission efficiency, but also anticipated the exciting opportunity for online, accurate and visible optimization of LLLT lighting parameters.
光穿透生物组织的现代研究在各种医学应用中变得非常重要。在许多诊断和治疗过程中,这是决定光剂量的一个重要因素。所研究组织的吸收和散射特性决定了光能穿透组织的深度。然而,这些光学性质高度依赖于光源的波长和组织条件。本文综述分析了光通过人类和动物头部组织不同区域的传输情况,通过比较不同波长的激光的通量分布、穿透深度以及激光与头部组织相互作用的机制,确定了到达大脑不同部位所需的最佳激光波长和功率密度。通过蒙特卡罗(MC)模拟,给出了头部不同区域的功率变化。分析了头部组织层(头皮、颅骨、大脑)的吸收和散射系数,并使用积分球测量和逆问题求解算法(如逆MC (IMC)和加法加倍(IAD))进行了计算。该研究不仅提供了波长之间在透光效率方面的定量比较,而且为在线、精确和可见地优化LLLT照明参数提供了令人兴奋的机会。
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引用次数: 1
Magnetic Particle Trapping in a Branched Blood Vessel in the Presence of Magnetic Field 磁场作用下支血管中的磁粒子捕获
Q3 Physics and Astronomy Pub Date : 2020-12-01 DOI: 10.18287/JBPE20.06.040302
S. Salem, V. Tuchin
This study presents a theoretical model by using the COMSOL Multiphysics ®  software to describe the behavior of magnetic nanoparticles through blood stream in a branched blood vessel under the influence of cylindrical permanent magnet that is located outside the vessel. The magnet is placed at one branched vessel to attract the magnetic particles towards targeted locations. The fluid (blood) is assumed being Newtonian; its flow is incompressible and laminar. Magnetic nanoparticles, such as superparamagnetic iron oxide (Fe 3 O 4 ) nanoparticles are used in this theoretical study. The mechanisms of magnetic nanoparticles travelling in the blood stream under influence of a localized static magnetic field are numerically studied. The equations of motion for particles in the flow are governed by a combination of magnetic equations for the permanent magnetic field and the Navier-Stokes equations for fluid.
本研究利用COMSOL Multiphysics®软件建立了一个理论模型,描述了磁性纳米颗粒在位于血管外的圆柱形永磁体的影响下通过分支血管中的血流的行为。磁铁被放置在一个分支容器上,以吸引磁性粒子到目标位置。假设流体(血液)是牛顿流体;它的流动是不可压缩的层流。磁性纳米颗粒,如超顺磁性氧化铁(fe3o4)纳米颗粒被用于该理论研究。用数值方法研究了局部静态磁场作用下磁性纳米颗粒在血流中的运动机理。流动中粒子的运动方程由永磁场的磁性方程和流体的纳维-斯托克斯方程的组合来控制。
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引用次数: 2
期刊
Journal of Biomedical Photonics and Engineering
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