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Application of infrared spectroscopy combined with chemometrics in mushroom 红外光谱与化学计量学相结合在香菇中的应用
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-10-21 DOI: 10.1080/05704928.2021.1994415
Xiong Chen, Jieqing Li, Tao Li, Honggao Liu, Yuan-zhong Wang
Abstract Different species and geographic regions of mushrooms differ in nutritional and medicinal value, while traditional chemical methods are destructive, time-consuming and expensive to sample. In contrast, infrared spectroscopy enables accurate, noninvasive, rapid and inexpensive identification of species and quality analysis. But infrared spectroscopy technology has produced a large number of data, common data analysis methods cannot be analyzed, chemometrics can solve this problem. In recent years, the combination of infrared spectroscopy and chemometrics has made some progress in qualitative and quantitative analysis of mushrooms. In this review, the basic principle of infrared spectroscopy and chemometrics are introduced, and their typical applications in different directions of mushrooms are summarized. Finally, we point out the limitation of infrared spectroscopy, but with the development of chemometrics, infrared spectroscopy will have a broader prospect.
摘要不同种类和地理区域的蘑菇营养价值和药用价值不同,而传统的化学方法具有破坏性、耗时和昂贵的取样方法。相比之下,红外光谱能够准确,无创,快速和廉价的物种鉴定和质量分析。但是红外光谱技术产生了大量的数据,普通的数据分析方法无法分析,化学计量学可以解决这一问题。近年来,红外光谱与化学计量学的结合在蘑菇的定性和定量分析方面取得了一定的进展。本文介绍了红外光谱和化学计量学的基本原理,并综述了它们在蘑菇不同方向上的典型应用。最后指出了红外光谱的局限性,但随着化学计量学的发展,红外光谱将有更广阔的前景。
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引用次数: 9
Developments of spectroscopic biosensors for cholinesterase and its inhibitors in the last decade: an overview 近十年来胆碱酯酶及其抑制剂光谱生物传感器研究进展综述
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-10-12 DOI: 10.1080/05704928.2021.1990080
Qiuyue Yu, Jing Liao, Feng Xu, Xin Yuan, Xiaoli Xiong, T. Xiao, Huimin Yu, Ke Huang
Abstract Cholinesterase (ChE) is a kind of important enzyme in a range of significant areas such as toxicology, pharmacology, and neurobiology. ChE, which can be irreversibly inhibited with organophosphorus agents (OPs), plays an important role in cholinergic syndrome. Recently, many efforts have been devoted to developing ChE sensor. Spectroscopic methods, including fluorescence, colorimetric and UV-vis, chemiluminescence (CL), and surface enhanced Raman scattering (SERS) are the most widely used techniques for the ChE activity detection. In these developed spectroscopic techniques, biosensors using nanomaterials or probe or chromogenic agent are highly promising because of the enhanced sensitivity, fast response time, wide detection range and system miniaturization. This paper reviews the development, application, and research trend of spectroscopic methods of ChE activity and its inhibitors in the last decade. Furthermore, the prospects for ChE detection are also discussed.
胆碱酯酶(Cholinesterase, ChE)是一种重要的酶,在毒理学、药理学和神经生物学等许多重要领域都有应用。ChE可被有机磷制剂(OPs)不可逆地抑制,在胆碱能综合征中起重要作用。近年来,人们对ChE传感器进行了大量的研究。光谱学方法,包括荧光、比色、紫外-可见、化学发光(CL)和表面增强拉曼散射(SERS)是最广泛使用的检测ChE活性的技术。在这些新兴的光谱技术中,利用纳米材料或探针或显色剂的生物传感器具有灵敏度高、响应时间快、检测范围宽和系统小型化等优点,具有广阔的应用前景。本文综述了近十年来ChE活性及其抑制剂的光谱方法的发展、应用和研究趋势。最后,对ChE检测的前景进行了展望。
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引用次数: 2
Clinical applications of infrared and Raman spectroscopy in the fields of cancer and infectious diseases 红外和拉曼光谱在癌症和传染病领域的临床应用
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-10-06 DOI: 10.1080/05704928.2021.1946076
M. Paraskevaidi, Baker J. Matthew, Butler J. Holly, Byrne J. Hugh, C. P. Thulya, C. Loren, Crean StJohn, Gardner Peter, Gassner Callum, Kazarian G. Sergei, Kochan Kamila, Kyrgiou Maria, Lima M. G. Kássio, Martin-Hirsch L. Pierre, Paraskevaidis Evangelos, Pebotuwa Savithri, A. John, Salange Alexandra, Santos Marfran, Sulé-Suso Josep, Tyagi Gunjan, W. Michael, Wood Bayden
Abstract Analytical technologies that can improve disease diagnosis are highly sought after. Current screening/diagnostic tests for several diseases are limited by their moderate diagnostic performance, invasiveness, costly and laborious methodologies or the need for multiple tests before a definitive diagnosis. Spectroscopic techniques, including infrared (IR) and Raman, have attracted great interest in the medical field, with applications expanding from early disease detection to monitoring and real-time diagnosis. This review highlights applications of IR and Raman spectroscopy, with a focus on cancer and infectious diseases since 2015, and underscores the diverse sample types that can be analyzed, such as biofluids, cells and tissues. Studies involving more than 25 participants per group (disease and control group; if no control group >25 in disease group) were considered eligible, to retain the clinical focus of the paper. Following literature searches, we identified 94 spectroscopic studies on different cancers and 30 studies on infectious diseases. The review suggests that such technologies have the potential to develop into an objective, inexpensive, point-of-care test or facilitate disease diagnosis and monitoring. Up-to-date considerations for the implementation of spectroscopic techniques into a clinical setting, health economics and successful applications of vibrational spectroscopic tests in the clinical arena are also discussed.
能够提高疾病诊断水平的分析技术备受追捧。目前对几种疾病的筛查/诊断测试受到以下因素的限制:诊断效果一般、侵入性强、方法昂贵且费力,或者需要多次测试才能做出明确诊断。包括红外(IR)和拉曼在内的光谱技术在医疗领域引起了极大的兴趣,其应用范围从早期疾病检测扩展到监测和实时诊断。本综述重点介绍了红外和拉曼光谱的应用,自2015年以来重点关注癌症和传染病,并强调了可以分析的多种样品类型,如生物流体、细胞和组织。每组25人以上的研究(疾病组和对照组;如果疾病组中没有对照组>25人被认为符合条件,则保留本文的临床重点。通过文献检索,我们确定了94项关于不同癌症的光谱研究和30项关于传染病的研究。这篇综述表明,这些技术有潜力发展成为一种客观、廉价的即时检测或促进疾病诊断和监测。最新的考虑实施光谱技术到临床设置,卫生经济学和成功应用的振动光谱测试在临床领域也进行了讨论。
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引用次数: 34
Applications of characterization methods in polyurethane materials: analysis of microphase-separated structures 表征方法在聚氨酯材料中的应用:微相分离结构分析
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-09-14 DOI: 10.1080/05704928.2021.1975126
Qinqin Zhang, Xiaoqi Lin, Weisheng Chen, Kaisen Jiang, Dezhi Han
Abstract Polyurethanes (PUs) have been versatilely applied in various fields because of their preferable properties with both elasticity and hardness. Due to the thermodynamic incompatibility of hard segments and soft segments, the PUs generally have the microphase-separated structures, which could dramatically affect their chemical and mechanical properties. In this review, the characterization methods of microphase-separated structures in PU polymers, such as fourier transformed infrared spectroscopy (FTIR), atomic force microscopy (AFM), differential scanning calorimetry (DSC), and small-angle X-ray scattering (SAXS) are summarized and illustrated. The relationship between microphase-separated structures and PU properties is also discussed. This review will lay the theoretical foundation for the improvement on the application performance of PUs.
摘要聚氨酯(pu)由于具有良好的弹性和硬度,在各个领域得到了广泛的应用。由于硬段和软段的热力学不相容性,pu普遍存在微相分离结构,这将极大地影响其化学和力学性能。本文综述了聚氨酯聚合物微相分离结构的表征方法,如傅里叶变换红外光谱(FTIR)、原子力显微镜(AFM)、差示扫描量热法(DSC)和小角度x射线散射(SAXS)等。讨论了微相分离结构与聚氨酯性能的关系。本文的研究将为进一步提高pu的应用性能奠定理论基础。
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引用次数: 6
Methods in Raman spectroscopy for saliva studies – a review 唾液拉曼光谱研究方法综述
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-08-30 DOI: 10.1080/05704928.2021.1969944
Mike Hardy, Liam Kelleher, Paulo de Carvalho Gomes, E. Buchan, H. Chu, P. Goldberg Oppenheimer
Abstract The use of Raman spectroscopy combined with saliva is an exciting emerging spectroscopy-biofluid combination. In this review, we summarize current methods employed in such studies, in particular the collection, pretreatment, and storage of saliva, as well as measurement procedures and Raman parameters used. Given the need for sensitive detection, surface-enhanced Raman methods are also surveyed, alongside chemometric techniques. A meta-analysis of variables is compiled. We observe a wide range of approaches and conclude that standardization of methods and progress to more extensive validation Raman-saliva studies is necessary. Nevertheless, the studies show tremendous promise toward the improvement of speed, diagnostic accuracy, and portable device possibilities in applications such as healthcare, law enforcement, and forensics.
利用拉曼光谱结合唾液是一种令人兴奋的新兴光谱-生物流体组合。在这篇综述中,我们总结了目前在这类研究中使用的方法,特别是唾液的收集、预处理和储存,以及使用的测量程序和拉曼参数。考虑到灵敏检测的需要,表面增强拉曼方法和化学计量技术也被研究。编制了变量的元分析。我们观察到各种各样的方法,并得出结论,方法的标准化和更广泛的验证拉曼唾液研究的进展是必要的。尽管如此,这些研究显示了在医疗保健、执法和法医等应用程序中提高速度、诊断准确性和便携式设备可能性的巨大希望。
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引用次数: 19
Remote molecular composition analysis of laser-ablated material 激光烧蚀材料的远程分子组成分析
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-08-23 DOI: 10.1080/05704928.2021.1966634
P. Lubin, M. Pelizzo, Jacob Erlikhman, A. Cohen, J. Madajian, P. Meinhold, G. Hughes, Nic Rupert, P. Srinivasan
Abstract A novel method is described for remotely interrogating bulk molecular composition of rocky materials. Laser energy heats a local area on the substrate; flux is optimized to melt and evaporate target constituents with low rates of molecular dissociation. Substrate temperature rises until an equilibrium is established between incident flux and latent phase-change energies, reaching ˜2500 K in vacuum. A blackbody signal is emitted by the heated spot, traveling outward through the evaporated material; reflective optics direct the signal into a spectrometer. Ro-vibrational absorption in the plume provides a diagnostic for identifying bulk molecular composition of the substrate. Absorption spectra are modeled for compounds with available a priori molecular cross-sections, based on laser and receiver characteristics, and target material properties. Mass ejection flux drives the plume density profile. Qualitative, species-specific spectral profiles are derived by integrating molecular cross section along a path through the plume. Simulations indicate robust absorption profiles.
摘要:提出了一种远程检测岩石材料体分子组成的新方法。激光能量加热衬底上的局部区域;优化了熔剂以低分子解离率熔化和蒸发目标成分。衬底温度上升,直到在入射通量和潜在相变能之间建立平衡,在真空中达到~ 2500 K。黑体信号由受热点发出,通过蒸发的物质向外传播;反射光学元件将信号送入分光仪。羽流中的反振动吸收为鉴定底物的大块分子组成提供了诊断方法。基于激光和接收器特性以及靶材料特性,对具有可用先验分子截面的化合物进行吸收光谱建模。物质抛射通量驱动羽流密度剖面。定性的、物种特异性的光谱剖面是通过沿羽流路径积分分子截面得到的。模拟结果表明,吸收曲线很稳定。
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引用次数: 0
Optimization of spodumene identification by statistical approach for laser-induced breakdown spectroscopy data of lithium pegmatite ores 利用统计方法对伟晶岩锂矿激光诱导击穿光谱数据进行锂辉石鉴定
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-08-17 DOI: 10.1080/05704928.2021.1963977
Sari Romppanen, I. Pölönen, H. Häkkänen, S. Kaski
Abstract Mapping with laser-induced breakdown spectroscopy (LIBS) can offer more than just the spatial distribution of elements: the rich spectral information also enables mineral recognition. In the present study, statistical approaches were used for the recognition of the spodumene from lithium pegmatite ores. A broad spectral range (280–820 nm) with multiple lines was first used to establish the methods based on vertex component analysis (VCA) and K-means and DBSCAN clusterings. However, with a view to potential on-site applications, the dimensions of the datasets must be reduced in order to accomplish fast analysis. Therefore, the capability of the methods in mineral identification was tested with a limited spectral range (560–815 nm) using Li-pegmatites with various mineralogical characters.
利用激光诱导击穿光谱(LIBS)进行测绘不仅可以提供元素的空间分布,丰富的光谱信息还可以实现矿物识别。本文采用统计方法对伟晶岩锂矿石中的锂辉石进行了识别。首先利用280 ~ 820 nm的多谱线宽光谱范围,建立了基于顶点分量分析(VCA)、K-means和DBSCAN聚类的方法。然而,考虑到潜在的现场应用,必须减少数据集的尺寸,以完成快速分析。因此,利用具有不同矿物学特征的锂伟晶岩,在有限的光谱范围(560 ~ 815 nm)内测试了该方法的矿物识别能力。
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引用次数: 5
Vibrational spectroscopy and multivariate analysis techniques in the clinical immunology laboratory: a review of current applications and requirements for diagnostic use 临床免疫学实验室中的振动光谱学和多变量分析技术:当前诊断应用和要求的综述
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-08-04 DOI: 10.1080/05704928.2021.1958337
Emma L. Callery, A. Rowbottom
Abstract Laboratory tests are essential for clinicians to reach an accurate diagnosis and informing appropriate treatments. The expansion in the use of immunotherapies has highlighted the gap between the knowledge of molecular pathways and targeted therapies with availability of laboratory tests. The translation of vibrational spectroscopic techniques such as Fourier-transform infrared (FTIR) spectroscopy and Raman spectroscopy into clinical practice offer rapid-, noninvasive and inexpensive methods to obtain information on the molecular composition of biological samples. Advances in instrumentation, data analysis and machine learning techniques are key developments that have permitted the availability of results to clinicians in an appropriate timescale. Immunological disorders are complex, often demonstrating interaction across multiple molecular pathways which results in delayed diagnosis. Vibrational spectroscopy is being applied in many fields and here we present a review of its potential use in clinical immunology. This review addresses the potential use of spectroscopy in clinical immunology. Potential benefits that these novel techniques offer, including enhanced definition of molecular process and its use in disease diagnosis, monitoring and treatment response is discussed. Whilst not covered extensively, an overview of the method principle, quality control processes, and the requirements for multivariate data analysis is included to provide the reader with sufficient understanding of its application in the clinical setting.
实验室检查是临床医生准确诊断和告知适当治疗的必要条件。免疫疗法使用的扩大凸显了分子途径知识与可获得实验室测试的靶向疗法之间的差距。傅里叶变换红外光谱(FTIR)和拉曼光谱等振动光谱技术转化为临床实践提供了快速、无创和廉价的方法来获取生物样品的分子组成信息。仪器、数据分析和机器学习技术的进步是关键的发展,使临床医生能够在适当的时间内获得结果。免疫疾病是复杂的,往往表现出跨多个分子途径的相互作用,导致延迟诊断。振动光谱学在许多领域都有应用,这里我们就其在临床免疫学中的潜在应用进行综述。本文综述了光谱学在临床免疫学中的潜在应用。讨论了这些新技术提供的潜在好处,包括增强分子过程的定义及其在疾病诊断、监测和治疗反应中的应用。虽然没有广泛覆盖,但包括方法原理,质量控制过程和多变量数据分析要求的概述,以使读者充分了解其在临床环境中的应用。
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引用次数: 2
Characterization of cellulose nanocrystals by current spectroscopic techniques 当前光谱技术对纤维素纳米晶体的表征
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-07-26 DOI: 10.1080/05704928.2021.1951283
R. Dassanayake, Niwanthi Dissanayake, J. S. Fierro, N. Abidi, E. Quitevis, Kiran Boggavarappu, Vidura D. Thalangamaarachchige
Abstract Over the past few years, cellulose nanocrystals (CNCs), also known as nanocrystalline cellulose (NCCs), have received significant attention owing to their diverse spectrum of applications. CNCs are commonly considered in nanomedicine, the food industry, tissue engineering, energy and storage applications, paper and textile industry, polymeric composites, and bio-catalysis. Due to the versatility of CNCs and CNC-derived materials, there is increasing importance in characterizing their properties using spectroscopic techniques. These spectroscopic techniques include solid-state nuclear magnetic resonance (NMR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron (XPS) spectroscopy, and Raman spectroscopy. This review focuses on the characterization of CNCs and CNCs-derived materials using the aforementioned spectroscopic techniques. This review also discusses the background, experimental procedures, sample preparation, and spectral analysis methods used in these techniques.
在过去的几年里,纤维素纳米晶体(CNCs),也被称为纳米晶纤维素(NCCs),由于其广泛的应用范围而受到了极大的关注。cnc通常用于纳米医学、食品工业、组织工程、能源和存储应用、造纸和纺织工业、聚合物复合材料和生物催化。由于cnc和cnc衍生材料的多功能性,使用光谱技术表征其特性变得越来越重要。这些光谱技术包括固态核磁共振(NMR)光谱、傅里叶变换红外(FTIR)光谱、x射线光电子(XPS)光谱和拉曼光谱。这篇综述的重点是利用上述光谱技术表征cnc和cnc衍生材料。本文还讨论了这些技术的背景、实验步骤、样品制备和光谱分析方法。
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引用次数: 8
Spectroscopic methods for determination of critical micelle concentrations of surfactants; a comprehensive review 测定表面活性剂临界胶束浓度的光谱方法。全面回顾
IF 6.1 2区 化学 Q1 INSTRUMENTS & INSTRUMENTATION Pub Date : 2021-07-23 DOI: 10.1080/05704928.2021.1955702
M. Mabrouk, Nouran A. Hamed, F. Mansour
Abstract The applications of surfactants in various fields are gaining more attention, which makes full characterization of surfactants of growing interest. It is fundamental to measure the critical micelle concentration (CMC) as a parameter for characterizing surfactants. Spectroscopic methods for determination of CMC are more common, easier to perform, and in certain applications more accurate. In this review, different spectroscopic techniques and methods used for determination of CMC are discussed. These methods include direct UV/VIS Spectroscopy, which studies liquid surface curvature in thin wells using vertical detecting light beam with the wavelength set at 900 nm. The indirect UV/VIS Spectroscopic methods include using surface plasmon resonance or surface-enhanced Raman scattering of metal nanoparticles. Direct spectrofluorometric methods measure CMC based on the intrinsic fluorescence of the tested surfactants, and it was reserved for surfactants with intrinsic fluorescence such as Triton-X100. Indirect spectrofluorometric methods include measuring the change in fluorescence intensity, spectral shape, lifetime, polarization, or the solvatochromic shift of surfactant-dye solution. Other spectroscopic methods have been reported such as X-ray diffraction, nuclear magnetic resonance spectroscopy and small-angle neutron scattering. This review article discusses the spectroscopic methods developed for CMC determination with emphasis on the principle, applications, advantages, and limitations of each method.
摘要表面活性剂在各个领域的应用越来越受到人们的重视,因此对表面活性剂的全面表征日益引起人们的兴趣。临界胶束浓度(CMC)的测定是表征表面活性剂性能的基础参数。光谱法测定CMC更常见,更容易执行,在某些应用中更准确。本文综述了测定CMC的不同光谱技术和方法。这些方法包括直接紫外/可见光谱学,利用波长为900 nm的垂直探测光束研究薄井中的液体表面曲率。间接紫外/可见光谱方法包括利用金属纳米颗粒的表面等离子体共振或表面增强拉曼散射。直接荧光光谱法是根据被测表面活性剂的本征荧光测定CMC,只适用于具有本征荧光的表面活性剂,如Triton-X100。间接荧光光谱法包括测量荧光强度、光谱形状、寿命、极化或表面活性剂-染料溶液的溶剂变色变化。其他的光谱方法如x射线衍射、核磁共振光谱和小角中子散射等也有报道。本文综述了近年来发展起来的用于CMC测定的光谱方法,重点介绍了各种方法的原理、应用、优点和局限性。
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引用次数: 27
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Applied Spectroscopy Reviews
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