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Analytical Chemistry Feb 2021
Review
Topics: Magnetic Resonance Spectroscopy; Molecular Structure; Nanostructures; Spectrum Analysis, Raman; Surface Properties
PubMed: 33434434
DOI: 10.1021/acs.analchem.0c05208 -
Nature Communications Mar 2022Optical pump-probe spectroscopy is a powerful tool for the study of non-equilibrium electronic dynamics and finds wide applications across a range of fields, from...
Optical pump-probe spectroscopy is a powerful tool for the study of non-equilibrium electronic dynamics and finds wide applications across a range of fields, from physics and chemistry to material science and biology. However, a shortcoming of conventional pump-probe spectroscopy is that photoinduced changes in transmission, reflection and scattering can simultaneously contribute to the measured differential spectra, leading to ambiguities in assigning the origin of spectral signatures and ruling out quantitative interpretation of the spectra. Ideally, these methods would measure the underlying dielectric function (or the complex refractive index) which would then directly provide quantitative information on the transient excited state dynamics free of these ambiguities. Here we present and test a model independent route to transform differential transmission or reflection spectra, measured via conventional optical pump-probe spectroscopy, to changes in the quantitative transient dielectric function. We benchmark this method against changes in the real refractive index measured using time-resolved Frequency Domain Interferometry in prototypical inorganic and organic semiconductor films. Our methodology can be applied to existing and future pump-probe data sets, allowing for an unambiguous and quantitative characterisation of the transient photoexcited spectra of materials. This in turn will accelerate the adoption of pump-probe spectroscopy as a facile and robust materials characterisation and screening tool.
Topics: Semiconductors; Spectrum Analysis
PubMed: 35301311
DOI: 10.1038/s41467-022-29112-y -
Advanced Science (Weinheim,... Dec 2022The design and characterization of spatiotemporal nano-/micro-structural arrangement that enable real-time and wide-spectrum molecular analysis is reported and...
The design and characterization of spatiotemporal nano-/micro-structural arrangement that enable real-time and wide-spectrum molecular analysis is reported and demonestrated in new horizons of biomedical applications, such as wearable-spectrometry, ultra-fast and onsite biopsy-decision-making for intraoperative surgical oncology, chiral-drug identification, etc. The spatiotemporal sesning arrangement is achieved by scalable, binder-free, functionalized hybrid spin-sensitive (<↑| or <↓|) graphene-ink printed sensing layers on free-standing films made of porous, fibrous, and naturally helical cellulose networks in hierarchically stacked geometrical configuration (HSGC). The HSGC operates according to a time-space-resolved architecture that modulate the mass-transfer rate for separation, eluation and detection of each individual compound within a mixture of the like, hereby providing a mass spectrogram. The HSGC could be used for a wide range of applictions, including fast and real-time spectrogram generator of volatile organic compounds during liquid-biopsy, without the need of any immunochemistry-staining and complex power-hungry cryogenic machines; and wearable spectrometry that provide spectral signature of molecular profiles emiited from skin in the course of various dietry conditions.
Topics: Immunochemistry; Spectrum Analysis
PubMed: 36266981
DOI: 10.1002/advs.202203693 -
Mass Spectrometry Reviews Jul 2022This review is devoted to ion spectroscopy studies of complexes relevant for the understanding of methane activation with metal ions and clusters. Methane activation... (Review)
Review
This review is devoted to ion spectroscopy studies of complexes relevant for the understanding of methane activation with metal ions and clusters. Methane activation starts with the formation of a complex with a metal ion. The degree of the interaction between an intact methane molecule and the ion can be monitored by the perturbations of C-H stretch vibrations in the methane molecule. Binding mediated by the electrostatic interaction results in a η type coordination of methane. In contrast, binding governed by orbital interactions results in a η type coordination of methane. We further review the spectroscopic characterization of activation products of metal-methane reactions, such as the metal-carbene and carbyne products resulting from the interaction of selected 5d metals with methane. The focus of recent research in the field has shifted towards the investigation of interactions between methane and metal clusters. We show examples highlighting that metal clusters can be more reactive in methane activation reactions.
Topics: Ions; Mass Spectrometry; Metals; Methane; Spectrum Analysis
PubMed: 34008884
DOI: 10.1002/mas.21698 -
Biosensors Oct 2022Surface-enhanced Raman spectroscopy (SERS) is a powerful vibrational spectroscopy technique with distinguished features of non-destructivity, ultra-sensitivity,... (Review)
Review
Surface-enhanced Raman spectroscopy (SERS) is a powerful vibrational spectroscopy technique with distinguished features of non-destructivity, ultra-sensitivity, rapidity, and fingerprint characteristics for analysis and sensors. The SERS signals are mainly dependent on the engineering of high-quality substrates. Recently, solid SERS substrates with diverse forms have been attracting increasing attention due to their promising features, including dense hot spot, high stability, controllable morphology, and convenient portability. Here, we comprehensively review the recent advances made in the field of solid SERS substrates, including their common fabrication methods, basic categories, main features, and representative applications, respectively. Firstly, the main categories of solid SERS substrates, mainly including membrane substrate, self-assembled substrate, chip substrate, magnetic solid substrate, and other solid substrate, are introduced in detail, as well as corresponding construction strategies and main features. Secondly, the typical applications of solid SERS substrates in bio-analysis, food safety analysis, environment analysis, and other analyses are briefly reviewed. Finally, the challenges and perspectives of solid SERS substrates, including analytical performance improvement and largescale production level enhancement, are proposed.
Topics: Spectrum Analysis, Raman
PubMed: 36354450
DOI: 10.3390/bios12110941 -
Journal of Biomolecular NMR Jan 2020Here we present the XIPP (eXtensible Interactive Peak Picker) NMR software for analyzing multidimensional NMR data of proteins, DNA, RNA and protein-nucleic acid...
Here we present the XIPP (eXtensible Interactive Peak Picker) NMR software for analyzing multidimensional NMR data of proteins, DNA, RNA and protein-nucleic acid complexes. XIPP organizes experiments into pre-defined studies and replaces our original PIPP software suite which is no longer supported. Default study types exist for backbone assignment, sidechain assignment, NOE assignment and several relaxation series experiments, used in solution NMR studies. XIPP is written in Java and Jython. The default study types are defined in Jython which can be modified and extended to create new types of studies.
Topics: Nuclear Magnetic Resonance, Biomolecular; Programming Languages; Software; Spectrum Analysis
PubMed: 31748843
DOI: 10.1007/s10858-019-00286-w -
International Journal of Molecular... Apr 2022Endometrial cancer (EC) is the sixth most common cancer and the fourth leading cause of death among women worldwide. Early detection and treatment are associated with a... (Review)
Review
Endometrial cancer (EC) is the sixth most common cancer and the fourth leading cause of death among women worldwide. Early detection and treatment are associated with a favourable prognosis and reduction in mortality. Unlike other common cancers, however, screening strategies lack the required sensitivity, specificity and accuracy to be successfully implemented in clinical practice and current diagnostic approaches are invasive, costly and time consuming. Such limitations highlight the unmet need to develop diagnostic and screening alternatives for EC, which should be accurate, rapid, minimally invasive and cost-effective. Vibrational spectroscopic techniques, Mid-Infrared Absorption Spectroscopy and Raman, exploit the atomic vibrational absorption induced by interaction of light and a biological sample, to generate a unique spectral response: a "biochemical fingerprint". These are non-destructive techniques and, combined with multivariate statistical analysis, have been shown over the last decade to provide discrimination between cancerous and healthy samples, demonstrating a promising role in both cancer screening and diagnosis. The aim of this review is to collate available evidence, in order to provide insight into the present status of the application of vibrational biospectroscopy in endometrial cancer diagnosis and screening, and to assess future prospects.
Topics: Early Detection of Cancer; Endometrial Neoplasms; Endometrium; Female; Humans; Spectroscopy, Fourier Transform Infrared; Spectrum Analysis, Raman; Vibration
PubMed: 35563249
DOI: 10.3390/ijms23094859 -
Molecules (Basel, Switzerland) Dec 2023In recent years, there has been renewed interest in the maintenance of food quality and food safety on the basis of metabolomic fingerprinting using vibrational... (Review)
Review
In recent years, there has been renewed interest in the maintenance of food quality and food safety on the basis of metabolomic fingerprinting using vibrational spectroscopy combined with multivariate chemometrics. Nontargeted spectroscopy techniques such as FTIR, NIR and Raman can provide fingerprint information for metabolomic constituents in agricultural products, natural products and foods in a high-throughput, cost-effective and rapid way. In the current review, we tried to explain the capabilities of FTIR, NIR and Raman spectroscopy techniques combined with multivariate analysis for metabolic fingerprinting and profiling. Previous contributions highlighted the considerable potential of these analytical techniques for the detection and quantification of key constituents, such as aromatic amino acids, peptides, aromatic acids, carotenoids, alcohols, terpenoids and flavonoids in the food matrices. Additionally, promising results were obtained for the identification and characterization of different microorganism species such as fungus, bacterial strains and yeasts using these techniques combined with supervised and unsupervised pattern recognition techniques. In conclusion, this review summarized the cutting-edge applications of FTIR, NIR and Raman spectroscopy techniques equipped with multivariate statistics for food analysis and foodomics in the context of metabolomic fingerprinting and profiling.
Topics: Spectrum Analysis, Raman; Spectroscopy, Fourier Transform Infrared; Food Analysis; Food Quality; Food Safety
PubMed: 38067662
DOI: 10.3390/molecules28237933 -
International Journal of Molecular... Jan 2021Oral cancer is one of the most common cancers worldwide. Despite easy access to the oral cavity and significant advances in treatment, the morbidity and mortality rates... (Review)
Review
Oral cancer is one of the most common cancers worldwide. Despite easy access to the oral cavity and significant advances in treatment, the morbidity and mortality rates for oral cancer patients are still very high, mainly due to late-stage diagnosis when treatment is less successful. Oral cancer has also been found to be the most expensive cancer to treat in the United States. Early diagnosis of oral cancer can significantly improve patient survival rate and reduce medical costs. There is an urgent unmet need for an accurate and sensitive molecular-based diagnostic tool for early oral cancer detection. Fourier transform infrared spectroscopy has gained increasing attention in cancer research due to its ability to elucidate qualitative and quantitative information of biochemical content and molecular-level structural changes in complex biological systems. The diagnosis of a disease is based on biochemical changes underlying the disease pathology rather than morphological changes of the tissue. It is a versatile method that can work with tissues, cells, or body fluids. In this review article, we aim to summarize the studies of infrared spectroscopy in oral cancer research and detection. It provides early evidence to support the potential application of infrared spectroscopy as a diagnostic tool for oral potentially malignant and malignant lesions. The challenges and opportunities in clinical translation are also discussed.
Topics: Animals; Biomarkers, Tumor; Disease Susceptibility; Early Detection of Cancer; Histocytochemistry; Humans; Mouth Neoplasms; Neoplasm Grading; Neoplasm Staging; Signal Transduction; Spectroscopy, Fourier Transform Infrared; Spectrum Analysis; Tumor Microenvironment
PubMed: 33530491
DOI: 10.3390/ijms22031206 -
International Journal of Molecular... May 2021Osteoarthritis (OA) is a degenerative disease, and there is currently no effective medicine to cure it. Early prevention and treatment can effectively reduce the pain of... (Review)
Review
Osteoarthritis (OA) is a degenerative disease, and there is currently no effective medicine to cure it. Early prevention and treatment can effectively reduce the pain of OA patients and save costs. Therefore, it is necessary to diagnose OA at an early stage. There are various diagnostic methods for OA, but the methods applied to early diagnosis are limited. Ordinary optical diagnosis is confined to the surface, while laboratory tests, such as rheumatoid factor inspection and physical arthritis checks, are too trivial or time-consuming. Evidently, there is an urgent need to develop a rapid nondestructive detection method for the early diagnosis of OA. Vibrational spectroscopy is a rapid and nondestructive technique that has attracted much attention. In this review, near-infrared (NIR), infrared, (IR) and Raman spectroscopy were introduced to show their potential in early OA diagnosis. The basic principles were discussed first, and then the research progress to date was discussed, as well as its limitations and the direction of development. Finally, all methods were compared, and vibrational spectroscopy was demonstrated that it could be used as a promising tool for early OA diagnosis. This review provides theoretical support for the application and development of vibrational spectroscopy technology in OA diagnosis, providing a new strategy for the nondestructive and rapid diagnosis of arthritis and promoting the development and clinical application of a component-based molecular spectrum detection technology.
Topics: Cartilage, Articular; Humans; Osteoarthritis; Spectrophotometry, Infrared; Spectroscopy, Near-Infrared; Spectrum Analysis, Raman; Vibration
PubMed: 34063436
DOI: 10.3390/ijms22105235