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Infrared attenuated total reflection spectroscopic analysis and quantitative detection of forage spectral features in ruminant systems
摘要： This study aimed to (1) access protein molecular structure profile and metabolic characteristics of model forages [Foreign sourced-origin (coded as: “FSO”, n = 7 vs. Chinese sourced-origin alfalfa hay “CSO”, n = 5] in ruminant systems; (2) Quantify the relationship between forage protein molecular structures and protein utilization and availability. Advanced non-invasive vibrational molecular spectroscopic technique (ATR-FTIR: Attenuated Total Reflection Fourier Transform Infrared spectroscopy) with chemometrics was applied to reveal forage protein molecular structure. Both univariate and multivariate molecular spectral analyses were applied to study molecular structure features in model forages. The molecular structure study provided the detailed protein structure profiles of Amide I and Amide II areas and height, total Amide I and II area ratios, Amide I to II height ratio as well as Amide I to II area ratio using ATR-FTIR spectroscopy. The results showed FSO and CSO had similar (P > 0.05) protein rumen degradation kinetics. However, FSO had superior quality than CSO in intestinal (IDP) and total digestible protein (TDP) and truly absorbed nutrient supply (P < 0.05). As intestinal digestion of protein, FSO was higher (P < 0.05) in protein digestion in terms of: intestinal digestibility of rumen undegraded protein (dIDP: 47.5 vs. 38.3 %RUP); Intestinal digestible protein (IDP: 17.6 vs. 13.7 %CP). As truly absorbed nutrient supply, FSO contained higher (P < 0.05) truly absorbed rumen synthesized microbial protein, absorbable rumen undegradable feed protein in the small intestine, total truly digested protein in the small intestine, metabolizable protein and Feed Milk Value (FMVDVE: 1.2 vs. 1.1 g/kg DM). The molecular structure-nutrition interactive relationship study showed that protein molecular structure profiles were highly associated to protein rumen degradation kinetics, significantly correlated to protein subfractions, protein intestinal digestion, and truly absorbed nutrient supply in ruminant systems.
关键词： Vibrational molecular spectroscopy-ATR-FTIR,Intestine digestion,Model forages,Truly absorbed protein supply,Rumen degradation,Protein molecular structure and conformation,Univariate and multivariate molecular spectral analyses
更新于2025-09-12 10:27:22
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Fabrication of Interconnected Plasmonic Spherical Silver Nanoparticles with Enhanced Localized Surface Plasmon Resonance (LSPR) Peaks Using Quince Leaf Extract Solution
摘要： Interconnected spherical metallic silver nanoparticles (Ag NPs) were synthesized in the current study using a green chemistry method. The reduction of silver ions to Ag NPs was carried out with low-cost and eco-friendly quince leaves. For the first time, it was confirmed that the extract solution of quince leaves could be used to perform green production of Ag NPs. Fourier transform infrared spectroscopy (FTIR) was conducted to identify the potential biomolecules that were involved in the Ag NPs. The results depicted that the biosynthesis of Ag NPs through the extract solution of quince leaf was a low-cost, clean, and safe method, which did not make use of any contaminated element and hence, had no undesirable effects. The majority of the peaks in the FTIR spectrum of quince leaf extracts also emerged in the FTIR spectrum of Ag NPs but they were found to be of less severe intensity. The silver ion reduction was elaborated in detail on the basis of the FTIR outcomes. In addition, through X-ray diffraction (XRD) analysis, the Ag NPs were also confirmed to be crystalline in type, owing to the appearance of distinct peaks related to the Ag NPs. The creation of Ag NPs was furthermore confirmed by using absorption spectrum, in which a localized surface plasmon resonance (LSPR) peak at 480 nm was observed. The LSPR peak achieved in the present work was found to be of great interest compared to those reported in literature. Field emission scanning electron microscopy (FESEM) images were used to provide the morphology and grain size of Ag NPs. It was shown from the FESEM images that the Ag NPs had interconnected spherical morphology.
关键词： FESEM study,FTIR study,XRD analysis,UV–Vis absorption,quince leave,silver nanoparticles
更新于2025-09-12 10:27:22
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Developing infrared spectroscopic detection for stratifying brain tumour patients: glioblastoma multiforme <i>vs.</i> lymphoma
摘要： Over a third of brain tumour patients visit their general practitioner more than five times prior to diagnosis in the UK, leading to 62% of patients being diagnosed as emergency presentations. Unfortunately, symptoms are non-specific to brain tumours, and the majority of these patients complain of headaches on multiple occasions before being referred to a neurologist. As there are currently no methods in place for the early detection of brain cancer, the affected patients’ average life expectancy is reduced by 20 years. These statistics indicate that the current pathway is ineffective, and there is a vast need for a rapid diagnostic test. Attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy is sensitive to the hallmarks of cancer, as it analyses the full range of macromolecular classes. The combination of serum spectroscopy and advanced data analysis has previously been shown to rapidly and objectively distinguish brain tumour severity. Recently, a novel high-throughput ATR accessory has been developed, which could be cost-effective to the National Health Service in the UK, and valuable for clinical translation. In this study, 765 blood serum samples have been collected from healthy controls and patients diagnosed with various types of brain cancer, contributing to one of the largest spectroscopic studies to date. Three robust machine learning techniques – random forest, partial least squares-discriminant analysis and support vector machine – have all provided promising results. The novel high-throughput technology has been validated by separating brain cancer and non-cancer with balanced accuracies of 90% which is comparable to the traditional fixed diamond crystal methodology. Furthermore, the differentiation of brain tumour type could be useful for neurologists, as some are difficult to distinguish through medical imaging alone. For example, the highly aggressive glioblastoma multiforme and primary cerebral lymphoma can appear similar on magnetic resonance imaging (MRI) scans, thus are often misdiagnosed. Here, we report the ability of infrared spectroscopy to distinguish between glioblastoma and lymphoma patients, at a sensitivity and specificity of 90.1% and 86.3%, respectively. A reliable serum diagnostic test could avoid the need for surgery and speed up time to definitive chemotherapy and radiotherapy.
关键词： glioblastoma multiforme,brain tumour,infrared spectroscopic detection,lymphoma,machine learning,ATR-FTIR spectroscopy
更新于2025-09-12 10:27:22
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Raman and infrared spectroscopic perspectives of lunar meteorite Northwest Africa 4884
摘要： We conducted comprehensive Raman and Fourier transform infrared (FTIR) spectroscopic studies on the whole rock and lithic clasts of Northwest Africa (NWA) 4884 to constrain its igneous mineralogy and metamorphic characteristics. NWA 4884 is composed of mostly clinopyroxene (25.8 vol.%), pigeonite (16.6 vol.%), plagioclase (26.6 vol.%), maskelynite (8.1 vol.%), olivine (20.7 vol.%), minor tridymite (1.0 vol.%), quartz (0.2 vol.%), and ilmenite (0.5 vol.%). Lithic clasts contain mafic rocks including plutonic ultramafic cumulate, olivine gabbro, mare basalt, and feldspathic rocks including noritic anorthosite and impact melt breccia. Raman and FTIR spectroscopic analyses are combined to investigate the shock history of this breccia and revealed that NWA 4884 is highly shocked (17.9–48.1 GPa recorded in plagioclase). The combination of bulk composition and remote sensing data provides possible source regions of NWA 4884: the southern Lacus Veris (20.5°S, 84.5°W) within Orientale basin and the western mare unit (45.3°N, 151.3°E) of Campbell Crater. The pairing relationship among NWA 4884, Yamato 793274, Queen Alexandra Range 94281, and NWA 7611 is supported by their petrographic, mineral, and compositional similarities. Our work demonstrates the potential of Raman and FTIR spectroscopies to shed light on igneous petrology and the bombardment history of the Moon.
关键词： lunar meteorite,mineralogy,FTIR,Raman,shock effects
更新于2025-09-11 14:15:04
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Fourier-transform infrared imaging and multivariate analysis for direct identification of principal polysaccharides in brown seaweeds
摘要： The current hydrocolloid industry requires new techniques for biomass characterization, which can quickly and ecologically characterize contained sugars. This work proposes the use of Fourier Transform Infrared microspectroscopy in combination with multivariate methods, to localize and identify the main carbohydrates and other components present in fresh brown seaweeds, avoiding time-consuming samples pre-treatments. Infrared images of Macrocystis pyrifera samples were analyzed by Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) and Principal Component Analysis (PCA) as chemometrics techniques to identify the compounds. MCR-ALS was the best strategy, delivering pure spectra of chemical compound that PCA did not. The carbohydrates identified by this method were 1-3-β-glucans divided into endofibers and laminarin; two types of fucoidans (rich in fucose or mannuronic acid), alginate and mannitol, besides other compounds such as proteins. This technique represents an opportunity for the hydrocolloid industry for a modern, rapid and environmentally-friendly characterization of macroalgal biomass to enhance its use.
关键词： Fucoidans,Brown seaweeds,Alginates,FTIR imaging,Macrocystis pyrifera
更新于2025-09-11 14:15:04
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Spectroscopic and Simulation Analysis of Facile PEDOT:PSS Layer Deposition-Silicon for Perovskite Solar Cell
摘要： In this research work, we have characterized and simulated a well-known hole transport material (HTM) for perovskite solar cell (PSC) and conductive polymer poly (3, 4- ethylenedioxy-thiophene) - poly (styrene sulfonate) (PEDOT: PSS). The PEDOT:PSS is a better contender in the field of photovoltaic with its excellent combination of characteristics like high hole conductivity, stability and transparency. The nanocomposite PEDOT:PSS is deposited on the silicon wafer which is N-type doped for the testing the structure characteristic variations. The thin film of PEDOT:PSS over Silicon wafer is prepared with the conventional coating technique and characterized with spectroscopic techniques. The structural behavior has been disclosed under the comprehensive study of Field Emission Scanning Electron Microscopy (FESEM), Atomic Force Microscopy (AFM), and X-Ray Diffractometer (XRD) mapping. On the other hand, the important optical properties were revealed by detailed analysis by spectroscopy characterization (FTIR, UV-vis, Raman spectra) covering the range of 200–2500 nm. The maximum absorbance range of PEDOT:PSS is 270–320 nm with maximum absorption at 280.5 nm. The photovoltaic cell is simulated by using Spiro-OMeTAD and PEDOT:PSS as Hole Transport Layer (HTL) for a better comparison in terms of power efficiency, quantum efficiency and fill factor. The PSC device shows exemplary power efficiency of 11.89% and 12.13% for PEDOT:PSS & Spiro-OMeTAD as HTL respectively.
关键词： FESEM,Perovskite,Hole transport layer,FTIR,Spectroscopic analysis,Raman spectra,PEDOT:PSS
更新于2025-09-11 14:15:04
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Investigation of Biochemical Alterations in Ischemic Stroke Using Fourier Transform Infrared Imaging Spectroscopy—A Preliminary Study
摘要： Objective: Brain damage, long-term disability and death are the dreadful consequences of ischemic stroke. It causes imbalance in the biochemical constituents that distorts the brain dynamics. Understanding the sub-cellular alterations associated with the stroke will contribute to deeper molecular understanding of brain plasticity and recovery. Current routine approaches examining lipid and protein biochemical changes post stoke can be difficult. Fourier Transform Infrared (FTIR) imaging spectroscopy can play a vital role in detecting these molecular alterations on a sub-cellular level due to its high spatial resolution, accuracy and sensitivity. This study investigates the biochemical and molecular changes in peri-infract zone (PIZ) (contiguous area not completely damaged by stroke) and ipsi-lesional white matter (WM) (right below the stroke and PIZ regions) nine weeks post photothrombotic ischemic stroke in rats. Materials and Methods: FTIR imaging spectroscopy and transmission electron microscopy (TEM) techniques were applied to investigate brain tissue samples while hematoxylin and eosin (H&E) stained images of adjacent sections were prepared for comparison and examination the morphological changes post stroke. Results: TEM results revealed shearing of myelin sheaths and loss of cell membrane, structure and integrity after ischemic stroke. FTIR results showed that ipsi-lesional PIZ and WM experienced reduction in total protein and total lipid content compared to contra-lesional hemisphere. The lipid/protein ratio reduced in PIZ and adjacent WM indicated lipid peroxidation, which results in lipid chain fragmentation and an increase in olefinic content. Protein structural change is observed in PIZ due to the shift from random coil and α-helical structures to β-sheet conformation. Conclusion: FTIR imaging bio-spectroscopy provide novel biochemical information at sub-cellular levels that be difficult to be obtained by routine approaches. The results suggest that successful therapeutic strategy that is based on administration of anti-oxidant therapy, which could reduce and prevent neurotoxicity by scavenging the lipid peroxidation products. This approach will mitigate tissue damage in chronic ischemic period. FTIR imaging bio-spectroscopy can be used as a powerful tool and offer new approach in stroke and neurodegenerative diseases research.
关键词： photothrombotic stroke,Fourier transform infrared (FTIR) imaging spectroscopy,transmission electron microscope (TEM),brain ischemia
更新于2025-09-11 14:15:04
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Performance Enhancement of Chitosan Filled Silver Vanadate Nano-rods
摘要： Silver vanadate nanorods synthesized via chemical precipitation route at room temperature were characterized using UV/Vis. optical electronic spectra, fourier transform infrared (FTIR) spectroscopy, transmission and scanning electron microscopy (TEM, SEM), Zeta potential and X-ray diffraction (XRD). XRD indicates the presence of both β and α phases of silver vanadate. Chitosan samples filled with pre-calculated amounts of synthesized silver vanadate nano-rods were prepared via ordinary casting route. XRD of the prepared polymeric samples reveals amorphous nature and indicating a homogenous distribution of inorganic filler within the matrix without any tendency for crystallization. FTIR shows maintenance of chitosan characteristic bands in all samples. Optical energy gap for both direct and indirect transitions generally indicates a gradual decrease with increasing inorganic filler content. The biological activity against two-gram-positive bacteria (Staphylococcus aureus, Bacillus subtilis), two gram-negative bacteria (Escherichia coli, Pseudomonas aeuroginosa) in addition to one fungus (Candida albicans) were also studied and correlated with both optical energy gap and nanoparticle dopant concentration.
关键词： UV/Vis.,Zeta Potential,Silver vanadate,FTIR,Chitosan,XRD
更新于2025-09-11 14:15:04
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TG-FTIR coupled analysis to predetermine effective precursors for laser-activated and electroless metallized materials
摘要： Copper compounds can be used as additives to elaborate polymer materials, which after laser-induced ablation can be directly metallized on the irradiated surface area. In this work, three [Cu(l-tyr)2]n (l-tyr = l-tyrosine) (A), [Cu(bpy)3][CrO4]·7.5H2O (bpy = 2,2′-bipyridine) (B) and [Cu(bpy)2(O2SO2)]·CH3OH (C) copper(II) complexes were evaluated. The complexes were mixed at 20 mass% with polyurethane resin to form the coatings. The coatings were irradiated with ArF excimer laser and electroless metallized. It was found that only complex A was effective metallization precursors. Thermal properties of the copper(II) complexes were considered as crucial for defining effective precursors. TG-FTIR coupled analysis was applied to predetermine thermal properties of the compounds, which can be responsible for effective metallization. It was found that the main reason for unsuccessful metallization of the coatings containing complexes B or C was release of lattice H2O or CH3OH molecules in crystal structures, respectively, which affected ablation of the coatings. Appropriate model of laser ablation was also proposed.
关键词： Copper(II) complexes,Polymer coating,Electroless metallization,Laser modification,TG-FTIR coupled analysis
更新于2025-09-11 14:15:04
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Non-destructive and rapid interrogation of biochemical response of the leaves of wheat seedlings towards Al2O3 nanoparticles stress using attenuated total reflectance Fourier transform infrared spectroscopy
摘要： There has been tremendous development in the field of nanotechnology and consequently the release of nanoparticles in the environment and its interaction with the biotic components is inevitable. However, knowledge concerning nanomaterial biosafety, adverse effects, fate, and acquired biological reactivity is still at infancy and requires further scientific efforts to assess their possible nano-agricultural risks. Therefore, the present study aims to reveal the molecular alterations in the leaves of the wheat seedlings caused by direct exposure of Al2O3 NPs in non-destructive and rapid manner using attenuated total reflectance Fourier transform infrared spectroscopy. For this, the seedlings of wheat have been grown in sand matrix under controlled growth conditions and the toxicity of Al2O3 NPs has been introduced to the seedlings at different concentrations (0.2, 0.4, 0.6, 0.8, 1.0, 1.2, 1.4 and 1.6 mM). For determining the biochemical alterations, the infrared spectra of the leaves of control and Al2O3 NPs treated seedlings have been recorded in the wavenumber range 4000-400 cm-1. The principle component analyses of the preprocessed spectra indicate significant discrimination between the spectral signatures of control and Al2O3 NPs treated seedlings. The treatment of Al2O3 NPs enhances the spectral features of cellulose, hemicelluloses, lignin and pectin in the leaves of wheat seedlings. The treatment also increases the area of mehtylene bands of lipids, carboxyl and amine groups of amino acids and protein. Enhancement is also observed in carbonyl fingerprint region. The increase in the area of these molecules indicates the physiological significance of these molecules in the modulation of Al2O3 NPs stress in the wheat seedlings. The study adds substantive spectral data base to the existing elusive knowledge of nanotoxicity especially Al2O3 NPs to the plants and provides a molecular mechanism that defines the occurrence of biochemical changes and defense strategy of plants towards Al2O3 NPs toxicity.
关键词： biochemical analysis,ATR-FTIR,Al2O3 nanoparticles,wheat seedlings,nanotoxicity
更新于2025-09-11 14:15:04