Infrared spectroscopy

红外光谱
  • 文章类型: Journal Article
    早期发现妇科癌症,这对提高患者生存率至关重要,由于模糊的早期症状和当前方法的诊断局限性,因此具有挑战性。这篇全面的综述深入探讨了红外(IR)光谱技术改变游戏规则的潜力,用于改变妇科癌症诊断领域的非侵入性技术。通过收集组织样本内化学键的独特振动频率,傅里叶变换红外(FTIR)光谱提供了优于现有诊断方法的“分子指纹”。我们强调这一领域的重大进展,特别是在中近红外光谱中的离散生物标记带的识别。蛋白质,脂质,碳水化合物,和核酸表现出不同的吸收模式。这些光谱特征不仅有助于区分恶性和良性疾病,但也提供了有关与癌症相关的细胞变化的额外信息。为了强调这些发现的实际后果,我们检查了红外光谱显示出卓越诊断准确性的研究.这篇综述支持红外光谱在正常临床实践中的使用,强调其检测和理解妇科癌症复杂分子基础的能力。
    The early detection of gynecological cancers, which is critical for improving patient survival rates, is challenging because of the vague early symptoms and the diagnostic limitations of current approaches. This comprehensive review delves into the game-changing potential of infrared (IR) spectroscopy, a noninvasive technology used to transform the landscape of cancer diagnosis in gynecology. By collecting the distinctive vibrational frequencies of chemical bonds inside tissue samples, Fourier-transform infrared (FTIR) spectroscopy provides a \'molecular fingerprint\' that outperforms existing diagnostic approaches. We highlight significant advances in this field, particularly the identification of discrete biomarker bands in the mid- and near-IR spectra. Proteins, lipids, carbohydrates, and nucleic acids exhibited different absorption patterns. These spectral signatures not only serve to distinguish between malignant and benign diseases, but also provide additional information regarding the cellular changes associated with cancer. To underscore the practical consequences of these findings, we examined studies in which IR spectroscopy demonstrated exceptional diagnostic accuracy. This review supports the use of IR spectroscopy in normal clinical practice, emphasizing its capacity to detect and comprehend the intricate molecular underpinnings of gynecological cancers.
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  • 文章类型: Journal Article
    金属有机框架(MOFs)是有前途的材料,在各种应用中提供卓越的性能,归因于它们显著的物理化学性质,如规则的孔隙率,晶体结构,和定制的功能组。尽管有潜力,对于该领域的初学者和新研究人员,缺乏专注于MOFs关键物理化学特征的专门评论。这篇评论是基于我们在MOFs合成和表征方面的专业知识而写的,专门为这个领域的初学者提供一个正确的方向。这样,可以减少实验误差,新研究人员进行研究时,可以避免时间和化学物质的浪费。在这篇文章中,这个话题被批判性地分析,并给出了研究结果和结论。我们回顾了三种著名的XRD技术,包括PXRD,单晶XRD,和SAXS,根据晶体尺寸和晶体形态的质量进行XRD分析。TGA曲线是评估活化过程质量和确保成功研究其他表征的有效因素。BET和孔径受到活化过程和选择性苯链交联剂的显着影响。FTIR是一种用于研究孔表面官能团的重要方法,该方法成功地用于评估激活过程,表征功能化的MOFs,并估计它们的应用。最重要的表征方法包括X射线衍射,用于结构识别,和热重分析(TGA),用于探索热分解。重要的是要注意MOF的热稳定性受两个主要因素的影响:金属-配体相互作用和连接到有机配体的官能团的类型。MOFs的纹理特性,另一方面,可以通过77K的氮气吸附-解吸等温线实验进行仔细检查。然而,对于较小的孔径,优选在87.3K的氩吸附-解吸等温线。此外,273K的CO2吸附等温线可用于测量超微孔尺寸和低于这些尺寸的尺寸,无法通过在77K下使用N2吸附-解吸等温线进行测量。在基于金属-氧簇构建的高价MOF中观察到最高的BET,它具有出色的控制其纹理特性的能力。发现合成程序(包括溶剂的选择,交联剂,次生金属,表面官能团,和温度),激活方法,压力会显著影响MOF的表面积,通过延伸,其结构完整性。此外,傅里叶变换红外光谱在鉴定MOF活性官能团中起着至关重要的作用。了解这些物理化学性质并利用相关表征技术将能够为特定应用提供更精确的MOF选择。
    Metal-organic frameworks (MOFs) are promising materials offering exceptional performance across a myriad of applications, attributable to their remarkable physicochemical properties such as regular porosity, crystalline structure, and tailored functional groups. Despite their potential, there is a lack of dedicated reviews that focus on key physicochemical characterizations of MOFs for the beginners and new researchers in the field. This review is written based on our expertise in the synthesis and characterization of MOFs, specifically to provide a right direction for the researcher who is a beginner in this area. In this way, experimental errors can be reduced, and wastage of time and chemicals can be avoided when new researchers conduct a study. In this article, this topic is critically analyzed, and findings and conclusions are presented. We reviewed three well-known XRD techniques, including PXRD, single crystal XRD, and SAXS, which were used for XRD analysis depending on the crystal size and the quality of crystal morphology. The TGA profile was an effective factor for evaluating the quality of the activation process and for ensuring the successful investigation for other characterizations. The BET and pore size were significantly affected by the activation process and selective benzene chain cross-linkers. FTIR is a prominent method that is used to investigate the functional groups on pore surfaces, and this method is successfully used to evaluate the activation process, characterize functionalized MOFs, and estimate their applications. The most significant methods of characterization include the X-ray diffraction, which is utilized for structural identification, and thermogravimetric analysis (TGA), which is used for exploring thermal decomposition. It is important to note that the thermal stability of MOFs is influenced by two main factors: the metal-ligand interaction and the type of functional groups attached to the organic ligand. The textural properties of the MOFs, on the other hand, can be scrutinized through nitrogen adsorption-desorption isotherms experiments at 77 K. However, for smaller pore size, the Argon adsorption-desorption isotherm at 87.3 K is preferred. Furthermore, the CO2 adsorption isotherm at 273 K can be used to measure ultra-micropore sizes and sizes lower than these, which cannot be measured by using the N2 adsorption-desorption isotherm at 77 K. The highest BET was observed in high-valence MOFs that are constructed based on the metal-oxo cluster, which has an excellent ability to control their textural properties. It was found that the synthesis procedure (including the choice of solvent, cross-linker, secondary metal, surface functional groups, and temperature), activation method, and pressure significantly impact the surface area of the MOF and, by extension, its structural integrity. Additionally, Fourier-transform infrared spectroscopy plays a crucial role in identifying active MOF functional groups. Understanding these physicochemical properties and utilizing relevant characterization techniques will enable more precise MOF selection for specific applications.
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  • 文章类型: Journal Article
    红外(IR)光谱是一种非侵入性的快速分析技术,可提供有关化学成分的信息,结构,和唾液中生物分子的构象。该技术已广泛用于分析唾液生物分子,由于其无标签的优势。唾液含有生物分子的复杂混合物,包括水,电解质,脂质,碳水化合物,蛋白质,和核酸是几种疾病的潜在生物标志物。红外光谱在诊断和监测龋齿等疾病方面显示出巨大的前景,牙周炎,传染病,癌症,糖尿病,和慢性肾病,以及药物监测。红外光谱的最新进展,如傅里叶变换红外(FTIR)光谱和衰减全反射(ATR)光谱,进一步提高了其在唾液分析中的实用性。FTIR光谱可以收集样品的完整红外光谱,而ATR光谱可以分析天然形式的样品,不需要样品制备。随着样品收集和分析的标准化协议的发展以及红外光谱的进一步发展,使用红外光谱进行唾液诊断的潜力巨大.
    Infrared (IR) spectroscopy is a noninvasive and rapid analytical technique that provides information on the chemical composition, structure, and conformation of biomolecules in saliva. This technique has been widely used to analyze salivary biomolecules, owing to its label-free advantages. Saliva contains a complex mixture of biomolecules including water, electrolytes, lipids, carbohydrates, proteins, and nucleic acids which are potential biomarkers for several diseases. IR spectroscopy has shown great promise for the diagnosis and monitoring of diseases such as dental caries, periodontitis, infectious diseases, cancer, diabetes mellitus, and chronic kidney disease, as well as for drug monitoring. Recent advancements in IR spectroscopy, such as Fourier-transform infrared (FTIR) spectroscopy and attenuated total reflectance (ATR) spectroscopy, have further enhanced its utility in salivary analysis. FTIR spectroscopy enables the collection of a complete IR spectrum of the sample, whereas ATR spectroscopy enables the analysis of samples in their native form, without the need for sample preparation. With the development of standardized protocols for sample collection and analysis and further advancements in IR spectroscopy, the potential for salivary diagnostics using IR spectroscopy is vast.
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  • 文章类型: Journal Article
    分子振动在物理化学和生物化学中起着至关重要的作用,拉曼和红外光谱是振动光谱中最常用的两种技术。这些技术提供了样品中分子的独特指纹,可以用来识别化学键,功能组,和分子的结构。在这篇评论文章中,讨论了使用拉曼和红外光谱进行分子指纹检测的最新研究和开发活动,专注于识别特定的生物分子和研究用于癌症诊断应用的生物样品的化学成分。还讨论了每种技术的工作原理和仪器,以更好地理解振动光谱学的分析多功能性。拉曼光谱是研究分子及其相互作用的宝贵工具,它的使用在未来可能会继续增长。研究表明,拉曼光谱能够准确诊断各种类型的癌症,使其成为内窥镜等传统诊断方法的有价值的替代方法。红外光谱可以为拉曼光谱提供补充信息,并检测低浓度的多种生物分子,甚至在复杂的生物样本中。本文最后比较了技术和对未来方向的见解。
    Molecular vibrations play a crucial role in physical chemistry and biochemistry, and Raman and infrared spectroscopy are the two most used techniques for vibrational spectroscopy. These techniques provide unique fingerprints of the molecules in a sample, which can be used to identify the chemical bonds, functional groups, and structures of the molecules. In this review article, recent research and development activities for molecular fingerprint detection using Raman and infrared spectroscopy are discussed, with a focus on identifying specific biomolecules and studying the chemical composition of biological samples for cancer diagnosis applications. The working principle and instrumentation of each technique are also discussed for a better understanding of the analytical versatility of vibrational spectroscopy. Raman spectroscopy is an invaluable tool for studying molecules and their interactions, and its use is likely to continue to grow in the future. Research has demonstrated that Raman spectroscopy is capable of accurately diagnosing various types of cancer, making it a valuable alternative to traditional diagnostic methods such as endoscopy. Infrared spectroscopy can provide complementary information to Raman spectroscopy and detect a wide range of biomolecules at low concentrations, even in complex biological samples. The article concludes with a comparison of the techniques and insights into future directions.
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  • 作为一种重要的制药工艺,结晶极大地影响最终产品。近年来,连续结晶过程引起了更多研究人员的关注,随着美国食品和药物管理局(FDA)对连续制造(CM)的推广。连续结晶工艺具有经济效益高,质量稳定均匀,生产周期短,和个性化。进行连续结晶,一些相关的过程分析技术(PAT)工具已成为突破的重点。红外(IR)光谱,拉曼光谱,聚焦光束反射测量(FBRM)工具因其快速,非破坏性的,和实时监测的特点。本文对这三种技术的优缺点进行了比较。它们在上游混合连续结晶过程中的应用,晶体成核和生长的中游,并对下游精制工艺进行了探讨,为这三种技术在连续结晶过程中的实践和进一步发展提供相应的指导,促进CM在医药行业的发展。
    As an important pharmaceutical process, crystallization greatly impacts the final product. In recent years, the continuous crystallization process has attracted more attention from researchers, with the promotion of continuous manufacturing (CM) by the Food and Drug Administration (FDA). The continuous crystallization process has the advantages of high economic benefit, stable and uniform quality, a short production cycle, and personalization. To carry out continuous crystallization, some related process analytical technology (PAT) tools have become the focus of breakthroughs. Infrared (IR) spectroscopy, Raman spectroscopy, and focused beam reflection measurement (FBRM) tools have gradually become research hotspots due to their fast, non-destructive, and real-time monitoring characteristics. This review compared the advantages and disadvantages of the three technologies. Their applications in the upstream mixed continuous crystallization process, the middle reaches of crystal nucleation and growth, and the process of the downstream refining were discussed to provide corresponding guidance for the practice and further development of these three technologies in the continuous crystallization process and promote the development of CM in the pharmaceutical industry.
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  • 文章类型: Journal Article
    红外光谱(波长范围为750-25,000nm)提供了评估各种样品类型的化学成分的快速方法,用于定性和定量分析。在过去的五十年中,其在食品工业中的使用显着增加,现在已成为常规分析某些分析物的公认分析技术。此外,它通常用于许多行业环境中的常规筛选和质量控制目的,虽然不是典型的生物活性化合物的分析。使用Scopus数据库,对2016年至2020年5年的文献进行了系统检索,确定了45项使用近红外和17项使用中红外光谱对食品中生物活性化合物进行定量的研究.评估的最常见的生物活性化合物是多酚,花青素,类胡萝卜素和抗坏血酸。许多因素影响所开发模型的准确性,包括分析物类别和浓度,矩阵类型,仪器几何,波长选择和光谱处理/预处理方法。此外,只有少数研究在独立来源的样本上进行了验证.然而,结果表明,红外光谱技术有望快速评估食品基质中各种生物活性化合物。
    Infrared spectroscopy (wavelengths ranging from 750-25,000 nm) offers a rapid means of assessing the chemical composition of a wide range of sample types, both for qualitative and quantitative analyses. Its use in the food industry has increased significantly over the past five decades and it is now an accepted analytical technique for the routine analysis of certain analytes. Furthermore, it is commonly used for routine screening and quality control purposes in numerous industry settings, albeit not typically for the analysis of bioactive compounds. Using the Scopus database, a systematic search of literature of the five years between 2016 and 2020 identified 45 studies using near-infrared and 17 studies using mid-infrared spectroscopy for the quantification of bioactive compounds in food products. The most common bioactive compounds assessed were polyphenols, anthocyanins, carotenoids and ascorbic acid. Numerous factors affect the accuracy of the developed model, including the analyte class and concentration, matrix type, instrument geometry, wavelength selection and spectral processing/pre-processing methods. Additionally, only a few studies were validated on independently sourced samples. Nevertheless, the results demonstrate some promise of infrared spectroscopy for the rapid estimation of a wide range of bioactive compounds in food matrices.
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  • 文章类型: Journal Article
    许多危及生命的疾病在其早期疾病阶段仍然不清楚。症状只出现在晚期时,存活率很低。即使在渐近阶段,非侵入性诊断工具也可能能够识别疾病并挽救生命。基于挥发性代谢物的诊断具有满足这一需求的很大希望。正在开发许多实验技术来建立可靠的非侵入性诊断工具;然而,他们中还没有一个能够满足临床医生的要求。基于红外光谱的气态生物流体分析显示了有希望的结果,可以满足临床医生的期望。标准操作程序(SOP)的最新发展,样品测量,本文综述了红外光谱的数据分析技术。它还概述了红外光谱的适用性,以确定特定的生物标志物的疾病,如糖尿病,由细菌感染引起的急性胃炎,脑瘫,和前列腺癌。
    Many life-threatening diseases remain obscure in their early disease stages. Symptoms appear only at the advanced stage when the survival rate is poor. A non-invasive diagnostic tool may be able to identify disease even at the asymptotic stage and save lives. Volatile metabolites-based diagnostics hold a lot of promise to fulfil this demand. Many experimental techniques are being developed to establish a reliable non-invasive diagnostic tool; however, none of them are yet able to fulfil clinicians\' demands. Infrared spectroscopy-based gaseous biofluid analysis demonstrated promising results to fulfil clinicians\' expectations. The recent development of the standard operating procedure (SOP), sample measurement, and data analysis techniques for infrared spectroscopy are summarized in this review article. It has also outlined the applicability of infrared spectroscopy to identify the specific biomarkers for diseases such as diabetes, acute gastritis caused by bacterial infection, cerebral palsy, and prostate cancer.
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  • 文章类型: Journal Article
    虽然从20世纪上半叶就知道了,在2000年代之后,光谱技术的发展经历了强劲的加速,适合于分析所获得的大量数据的新计算机技术的成功发展。今天的应用不再局限于分析化学,但正在成为医疗领域有用的工具。他们的多功能性,快速性,获得的信息量,特别是当应用于易于收集的生物液体时,如尿液,可以提供一种在早期发现不同疾病方面具有巨大潜力的新型诊断工具。这篇综述旨在总结现有的关于尿样光谱分析的文献,提供对未来潜在应用的洞察力。
    Although known since the first half of the twentieth century, the evolution of spectroscopic techniques has undergone a strong acceleration after the 2000s, driven by the successful development of new computer technologies suitable for analyzing the large amount of data obtained. Today\'s applications are no longer limited to analytical chemistry, but are becoming useful instruments in the medical field. Their versatility, rapidity, the volume of information obtained, especially when applied to biological fluids that are easy to collect, such as urine, could provide a novel diagnostic tool with great potential in the early detection of different diseases. This review aims to summarize the existing literature regarding spectroscopy analyses of urine samples, providing insight into potential future applications.
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  • 文章类型: Journal Article
    This review covers recent developments in the field of non-invasive techniques for the quality assessment of processed horticultural products over the past decade. The concept of quality and various quality characteristics related to evaluating processed horticultural products are detailed. A brief overview of non-invasive methods, including spectroscopic techniques, nuclear magnetic resonance, and hyperspectral imaging techniques, is presented. This review highlights their application to predict quality attributes of different processed horticultural products (e.g., powders, juices, and oils). A concise summary of their potential commercial application for quality assessment, control, and monitoring of processed agricultural products is provided. Finally, we discuss their limitations and highlight other emerging non-invasive techniques applicable for monitoring and evaluating the quality attributes of processed horticultural products. Our findings suggest that infrared spectroscopy (both near and mid) has been the preferred choice for the non-invasive assessment of processed horticultural products, such as juices, oils, and powders, and can be adapted for on-line quality control. Raman spectroscopy has shown potential in the analysis of powdered products. However, imaging techniques, such as hyperspectral imaging and X-ray computed tomography, require improvement on data acquisition, processing times, and reduction in the cost and size of the devices so that they can be adopted for on-line measurements at processing facilities. Overall, this review suggests that non-invasive techniques have the potential for industrial application and can be used for quality assessment.
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  • 文章类型: Journal Article
    自从COVID-19疫情持续上升和蔓延以来,几篇关于COVID-19的原创文章和评论文章开始出现在文献中。评论文章主要关注大流行的现状以及电晕诊断和治疗过程的现状。由于目前使用的方法的一些缺点,改进新型有前景的冠状病毒诊断和治疗方法是非常重要的问题。在这次审查中,在简要讨论了当前诊断和治疗方法的现状之后,我们向科学界介绍,诊断和治疗COVID-19的新方法。与其他新方法一样,首先,质谱和光谱方法如紫外/可见光的诊断潜力,红外线,以及拉曼光谱与化学计量学相结合将在相关文献的基础上讨论冠状病毒感染的样品。在振动光谱学研究中,由于数据的复杂性,多变量分析方法也适用于数据。本综述还包括可用于从数据中提取有用信息以进行诊断和表征的多变量分析工具的应用。综述的方法包括层次聚类分析,主成分分析,线性和二次判别分析,支持向量机算法,神经网络的一种形式即深度学习方法。第二,将讨论新的治疗方法,如光动力疗法和纳米颗粒在冠状病毒治疗中的应用。最后,将讨论COVID-19新型有前途的诊断和治疗方法相对于标准方法的优势。本文的主要目的之一是鼓励科学界探索这种新型工具在冠状病毒表征中的潜力,诊断,和治疗。
    Since COVID-19 pandemic has been continuously rising and spreading, several original contributions and review articles on COVID-19 started to appear in the literature. The review articles are mainly focus on the current status of the pandemic along with current status of the corona diagnosis and treatment process. Due to some disadvantages of the currently used methods, the improvement on the novel promising diagnosis and treatment methods of corona virus is very important issue. In this review, after briefly discussing the status of current diagnosis and treatment methods, we present to the scientific community, novel promising methods in the diagnosis and treatment of COVID-19. As with other novel approaches, first, the diagnosis potential of mass spectroscopy and optical spectroscopic methods such as UV/visible, infrared, and Raman spectroscopy coupled with chemometrics will be discussed for the corona virus infected samples based on the relevant literature. In vibrational spectroscopy studies, due to complexity of the data, multivariate analysis methods are also applied to data. The application of multivariate analysis tools that can be used to extract useful information from the data for diagnostic and characterisation purposes is also included in this review. The reviewed methods include hierarchical cluster analysis, principal component analysis, linear and quadratic discriminant analysis, support vector machine algorithm, and one form of neural networks namely deep learning method. Second, novel treatment methods such as photodynamic therapy and the use of nanoparticles in the in-corona virus therapy will be discussed. Finally, the advantages of novel promising diagnosis and treatment methods in COVID-19, over standard methods will be discussed. One of the main aims of this paper is to encourage the scientific community to explore the potential of this novel tools for their use in corona virus characterization, diagnosis, and treatment.
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