Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy Research Articles

The Promise of Infrared Spectroscopy in Liquid Biopsies for Solid Cancer Detection

Attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy has shown significant promise in the context of liquid biopsy, offering a potential tool for cancer diagnostics. Unlike traditional tissue biopsies, which may not fully capture the clonal heterogeneity of tumors, liquid biopsy reflects the dynamic state of the disease and its progression more comprehensively. Biofluids such as serum and plasma are low-cost, minimally invasive diagnostic media with well-established clinical uses. This review assesses the use of ATR-FTIR spectroscopy to detect biochemical changes in biofluids linked to various malignancies, including breast, ovarian, endometrial, prostate, bladder, kidney, pancreatic, colorectal, hepatic, esophageal, gastric, lung, and brain cancers. While ATR-FTIR offers the advantages of rapid, minimally invasive detection and real-time disease monitoring, its integration into clinical practice faces challenges, particularly in terms of reproducibility due to variability in sample preparation, spectral acquisition, and data processing. The translation of ATR-FTIR into routine diagnostics will require validation through large-scale cohort studies and multicenter trials to ensure its clinical reliability and effectiveness.

Plasticizer modulation of dynamic mechanical properties and dielectric performance in sodium alginate-based biopolymer films

Abstract This work focuses on the effects of various plasticizers, such as glycerol (GLY), polyethylene glycol (PEG), and dioctyl phthalate (DOP) at 0%, 25%, and 50% concentrations, on the structure, dynamic mechanical behavior, and relaxation dynamics of charge carriers of sodium alginate (SA) film. The investigation of the structure was conducted using attenuated total reflectance fourier transform infrared (ATR-FTIR) and X-ray diffraction (XRD). The AT-FTIR analysis indicated changes in the OH and C–O bands of plasticized SA films, suggesting potential intermolecular interactions between the SA matrix and the plasticizers. Moreover, XRD revealed that GLY and PEG enhanced the amorphous phase of SA, promoting flexibility, while DOP increased crystallinity. Dynamic mechanical testing revealed that the pristine SA biofilm displayed a high storage modulus ( $$\:E^{\prime}$$ ) of 11 GPa at − 50 °C, indicating a stiff structure. The plasticization process with GLY, PEG, and DOP resulted in a decrease in the values to 0.09, 0.1, and 7.11 GPa, respectively, as well as a decrease in the glass transition temperature, which was attributed to weakened polymer chain interactions. The drastic reduction in storage modulus upon plasticization indicates enhanced flexibility. Dielectric measurements revealed significantly higher dielectric constants ranging from 1.65 × 106 to 0.12 × 106 at 0.1 Hz and direct current conductivity at lower frequencies, also decreasing in relaxation time for films plasticized with GLY and PEG linked to increased hydroxyl groups and higher amorphous content. These findings highlight the potential of SA films plasticized with GLY and PEG as advanced materials for electrochemical and conductive polymer electrode applications.

Deacidification of Coconut Oil Using Different Resins: A Comparative Study

ABSTRACTIn the food sector, deacidification of vegetable oil is essential for enhancing edible oil's stability, quality, and shelf life. It is still difficult to come up with an efficient deacidification method that makes use of high‐acid‐value oil to produce edible goods that are both high‐quality and value‐added. The present work provides a newly developed, adaptable, and long‐lasting ion exchange deacidification method. Three different ion exchange resins, that is, Amberlite IRA 400 (AMT), Amberlyst A26 (A26), and Dowex WGR‐2 (DOX) at different concentrations were assessed to remove free fatty acids (FFAs) by adsorption using a column, where AMT (85.92%) and A26 (98.02%) showed a good result compared to DOX (75.4%). To further confirm the reduction in the acid value of the treated oil, multiple methods were used, including FFA measurement by titration, gas chromatography (GC), high‐performance liquid chromatography (HPLC), and attenuated total reflectance Fourier‐transform infrared spectroscopy (ATR‐FTIR). All these methods consistently demonstrated a reduction in FFA levels in the oil collected after treatment with resin. Additionally, to assess the effect of the resin on the oil, various physicochemical parameters were analyzed. It was found that most of the tocopherols and tocotrienols were preserved, and there was little to no impact on other key quality parameters.Practical Applications: Our study offers valuable insights into the development of a deacidification technology for removing FFAs from oil using resins. This environment‐friendly method effectively tackles the challenge of high acidity in oils by efficiently adsorbing FFAs. The use of resins provides an efficient solution while retaining the nutritional properties of the oil, making it an appealing alternative to traditional methods. This technology holds significant potential for industrial applications, such as improving the quality and shelf life of edible oils by removing FFA, as well as reducing waste during alkali treatment. Implementing this technique can help promote better practices in the oil processing industry.

Application of ATR-FTIR spectroscopy and multivariate statistical analysis in cancer diagnosis.

Lung cancer is one of the most prevalent and lethal malignant tumors worldwide. Currently, clinical diagnosis primarily relies on chest X-ray examinations, histopathological analysis, and the detection of tumor markers in blood. However, each of these methods has inherent limitations. The current study aims to explore novel diagnostic approaches for lung cancer by employing attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy in conjunction with multiple machine learning models. Fourier transform infrared spectroscopy can detect subtle differences in the material structures that reflect the carcinogenic process between lung cancer tissues and normal tissues. By applying principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) to analyze infrared spectral data, these subtle differences can be amplified. The study revealed that the combination of spectral bands within the 3500-3000 cm-1 and 1600-1500 cm-1 ranges is particularly significant for differentiating between the two groups. Three classification models-Support Vector Machine (SVM), k-Nearest Neighbor (kNN), and Linear Discriminant Analysis (LDA)-were constructed for spectral analysis of various band combinations. The results indicated that in detecting lung cancer samples, the combination of the 3500-3000 cm-1 and 1600-1500 cm-1 bands offers significant advantages. The analysis of the receiver operating characteristic (ROC) curve demonstrated that the area under the curve (AUC) exceeded 0.95 for all models, with the LDA model achieving an accuracy rate of 99.4% in identifying lung cancer patients compared to healthy individuals. The findings suggest that the integration of ATR-FTIR spectroscopy with multiple machine learning models represents a promising auxiliary diagnostic method for clinical lung cancer diagnosis, enabling detection at the molecular level.

Microbial consortia-derived cellulose biomaterial: Synthesis, characterization, and utility in neural tissue regeneration.

Therapeutic application of bacterial cellulose, a polymer produced by fermentative growth of bacteria, is often challenged by low yields and absence of high yielding strains. The current study reports the synthesis and characterization of bacterial cellulose from a novel microbial consortium of Weissela confusa, Neobacillus drentensis, and Bacillus sp. isolated from mother of vinegar and identified by 16S rDNA typing. The bacterial cellulose was characterized by Scanning electron microscopy (SEM), Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, X-ray diffraction (X-RD), and thermogravimetric analysis (TGA). Optimization of bacterial cellulose production was carried out using modified Hestrin Schramm (HS) Media (with industrial waste glycerol) to attain a maximum yield of 17.2 g/l after 10 days of incubation. The cytotoxicity evaluation of bacterial cellulose in murine neuroblastoma Neuro 2a cell lines showed 90 % cell viability after 48 h. Bacterial cellulose facilitated cell attachment and three-dimensional growth of N2a cells, as confirmed by the SEM analysis. We propose that the bacterial cellulose produced by this consortium could serve as a scaffold for neural stem cell-based therapeutic applications.

Adsorption isotherms in roasted specialty coffee (Coffea arabica L.): Dataset and statistical tools for optimizing storage conditions and enhancing shelf life.

This work presents a comprehensive dataset of adsorption isotherms and infrared spectral data for roasted specialty coffee (Coffea arabica L.). The dataset includes adsorption isotherms for whole roasted beans and ground coffee at medium (850 µm) and fine (600 µm) particle sizes. Adsorption isotherms were experimentally determined using the Dynamic Dewpoint Isotherm (DDI) method, considering a water activity range from 0.1 to 0.9 and temperatures of 25, 35, and 45 °C. Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy was used to characterize the coffee samples spectrally. The dataset also provides two calibrated sorption models: Peleg and Double Logarithm Polynomial (DLP), which are highly suitable for practical applications, allowing users to predict the equilibrium moisture content of coffee as a function of water activity, temperature, and coffee type (whole beans or ground coffee). These tools offer valuable insights for researchers, coffee producers, and decision-makers in computing critical parameters related to roasted specialty coffee's shelf life, determining optimal packaging materials, and understanding the hygroscopic properties of coffee. The calibrated models could be used to optimize coffee storage processes and improve the understanding of water sorption behavior in different particle sizes. The dataset compiles the experimental adsorption isotherms and infrared spectra in Excel sheets according to the experimental conditions and replicates. Furthermore, this dataset includes different MATLAB® R2023a (The MathWorks Inc., Natick, MA, USA) files where the models have been calibrated with the experimental adsorption isotherms using the "Curve Fitting" tool and are available for their use in the coffee industry.

Synthetic Receptors Decorated on Nanoparticles for Selective and Sensitive Glyphosate Detection

Herein, an innovative glyphosate imprinted poly(hydroxyethyl methacrylate-N-methacroyl-(L)-phenylalanine methyl ester nanoparticles (MIP@NPs) based plasmonic nanosensor featured with high sensitivity and selectivity was constructed by using the molecular imprinting technique and used for real-time glyphosate detection. The characterization of nanoparticles was performed by the nano Zetasizer and scanning electron microscopy (SEM), while nanosensors were characterized by the Fourier transform infrared-attenuated total reflection (FTIR-ATR) and contact angle measurement. Control experiments were conducted to evaluate the imprinting efficiency on the signal response using a non-imprinted surface plasmon resonance (NIP SPR) nanosensor prepared without adding glyphosate pesticide into the polymerization mixture. The MIP@NPs integrated molecularly imprinted surface plasmon resonance (MIP SPR) nanosensor having synthetic molecular recognition elements yielded a novel biosensing platform for label-free detection and real-time monitoring of glyphosate pesticide. The MIP SPR nanosensor detected the target glyphosate molecule 4.950 times more selectively than the competitor molecule malathion while 3.918 times more selectively than the competitor molecule malaoxon. In addition, the imprinting efficiency factor was found to be 6.76, indicating that the molecular imprinting process was successful. In addition, the imprinting factor was found to be 6.76. Kinetic studies and adsorption characteristics of glycosate adsorption were carried out to assess adsorption dynamics. The linear concentration range for glyphosate detection was 0.001 ppm–10.000 ppm of pesticide, and the detection limit was found to be 0.120 ppb. Studies on the repeatability of the MIP SPR nanosensor revealed that even after five cycles, the signal response for glyphosate detection did not change significantly with relative standard deviation, RSD<1.5 value. The artificial urine selected as the real sample was spiked with glyphosate at a final concentration of 10.000 ppm to evaluate the matrix effect, and the glyphosate amount was reported.

Assessing plastic ingestion in the White stork (Ciconia ciconia) through regurgitated pellets.

Pollution is one of the main factors that threaten biodiversity nowadays. Plastic waste is a global problem which impacts not only on the marine environment but also on the terrestrial one. Great amounts of this kind of refuse are compiled in landfills, where lots of avian species feed. In contrast to seabirds research, there are limited studies that have considered how plastic is being ingested by land birds even when they are being affected both physically and at an endocrine level. We tried to assess the number of plastics and microplastics ingested by individuals of a White stork (Ciconia ciconia) colony in central Spain by collecting regurgitated pellets. The chemical composition of the elements was determined, as well as the relation between the amount of ingested plastic by individuals and their use of a landfill. Our results show that 3.44% of the pellet was formed by plastic (n = 50). Polyethylene, polystyrene, polypropylene and PET were the most abundant polymers, all of them being potentially problematic to the organism according to the literature. Each polymer was identified by Fourier transform infrared attenuated total reflectance spectroscopy (FTIR-ATR). We observed that the total amount of ingested plastics was stable along the use of the landfill, meaning White storks obtained plastic not only from anthropogenic sources but also from natural areas, indicating its high rate of pollution. Our study remarks the importance of addressing plastic ingestion in White storks as well as other terrestrial species, not only to understand the possible damage to the population but also to the whole ecosystem.

Synergistic Effect of MgO/ZnO on β‐Phase Crystallization in PVDF: A Comparative Study of Mode of Nanofiller Additions for Piezoelectric Applications

AbstractThis study pioneers the investigation into the critical role of the nanofiller addition method in enhancing β‐phase crystallization in polyvinylidene fluoride (PVDF). Hydrothermally synthesized magnesium oxide (MgO) nanoparticles are combined with zinc oxide (ZnO) in two approaches, yielding optimized electroactive properties. Characterization via Attenuated Total Reflectance Fourier Transformed Infrared Spectroscopy (ATR‐FTIR) and X‐ray Diffraction (XRD) confirmed the improved β‐phase crystallization in P/ZM10 film. The superior sensitivity with fast, linear and precise pattern detection of the optimised polymer composite device ensures its usage as a piezoelectric sensor system. Under the realistic irregular hand‐tapping of 22–23 N force, the fabricated prototype generated an output voltage of 96 V and displayed a maximum power density of 66.69 µW cm−2. A laboratory‐level demonstration of the prototype as a piezoelectric sensor in water filters enables its efficiency and feasibility for real‐time applications.

Prolonged Impact of Bisphosphonates and Glucocorticoids on Bone Mechanical Properties

Background: This study aimed at investigating the prolonged effects of glucocorticoids and bisphosphonates on bone. Methods: Six-to-eight-month-old skeletally mature male Sprague Dawley rats were randomized to receive a cancer therapy combination of zoledronic acid (ZA = 0.13 mg/kg) and dexamethasone (DX = 3.8 mg/kg) (treatment group, n = 10) or sterile phosphate buffer saline solution (control group, n = 10). The rats received weekly intraperitoneal injections for 8 weeks, which were stopped 6 weeks before euthanasia. Mineralized bone samples were characterized by three-point bending tests, micro-CT imaging, X-ray diffraction (XRD), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). Bone collagen was assessed using tensile tests on the demineralized bones and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy on mineralized and demineralized bones. Results: The samples in the treatment group showed increased tibial cortical thickness, mineral crystal size, and toughness. Analyses of demineralized tibiae revealed decreased collagen tensile strength in the experimental group. The spectroscopic and TGA/DSC analyses showed that the ZA + DX treatment increased the collagen amide I 1660/1690 cm−1 area ratio and collagen denaturalization temperature, indicating a higher level of collagen cross-linking. Conclusions: Bisphosphonates and glucocorticoids led to prolonged changes in the mechanical properties of bone as a result of increased cortical thickness, increased crystal size, and the deterioration of collagen quality.

Stability Study of Anticoagulant Hydrogel Coatings Toward Long-Term Cardiovascular Devices.

Implantable cardiovascular devices have revolutionized the treatment of cardiovascular diseases, yet their long-term functionality without causing thrombosis is a persistent challenge. Although the surface modification of anticoagulant coating has greatly improved the biocompatibility of the devices, its long-term stability in complex physiological environments still remains questionable. Herein, the stability of three anticoagulant hydrogel coatings, poly(2-methacryloyloxyethyl phosphorylcholine) (PMPC), poly(sodium 2-acryloyl-2-methylpropanesulfonate) (PAMPS), and poly(4-styrenesulfonate sodium) (PSS), is studied. The fabrication of these coatings onto device surfaces is validated by using X-ray photoelectron spectroscopy (XPS) and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy. In vitro anticoagulation assays confirm the coatings' significant anticoagulant effects. Among all three coatings, the PSS coating demonstrated superior chemical and mechanical stability in the comprehensive tests, showing great potential for improving the long-term anticoagulant performance of implantable cardiovascular devices.

Rapid Authentication of Dendrobium Species Using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) and Fourier Transform Near–Infrared (FT-NIR) Spectroscopies with Orthogonal Partial Least Squares–Discriminant Analysis (OPLS-DA)

Dendrobium has been used as a traditional Chinese medicine for thousands of years known for its effects in nourishing yin, antipyresis, tonifying the stomach, and promoting fluid production. However, different species exhibit significant variations in efficacy and price. Authentication of Dendrobium species involves the quality, safety, and effectiveness of their medicinal use. A fast and reliable method is urgently needed to authenticate these species. In this study, rapid identification models of Dendrobium were developed based on whole-genome resequencing from 54 species, utilizing attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, Fourier transform near-infrared (FT-NIR) spectroscopy, and mid-level data fusion of these methods. Overall, both ATR-FTIR with 240 variables from wavenumbers 2146.38–485.97 cm−1 and 3029.62–2836.77 cm−1 and FT-NIR with 263 variables from wavenumbers 6078.53–4061.35 cm−1 and 7436.17–6838.34 cm−1 successfully classified the Dendrobium. The orthogonal partial least squares – discriminant analysis (OPLS-DA) models built with 503 variables of mid-level data fusion showed superior differentiation results. The intergroup modeling results of both the training set and the testing set of mid-level data fusion were satisfactory with values of accuracy, precision, sensitivity, and specificity greater than 97.4% and the RMSEP and RMSECV values lower than 0.581 and 0.380, respectively. This study demonstrated the feasibility of combining ATR-FTIR and FT-NIR for the discrimination of Dendrobium, with potential application for other species or other analytical technique combinations. Furthermore, it provides a fundamental basis for higher-level phylogenetic analysis.

Hydrophilic polymer coating delamination during neurointerventional treatment after microcatheter withdrawal: particulate identification through attenuated total reflection Fourier-transform infrared spectroscopy.

Hydrophilic coating embolism (HCE) is a rare and underreported complication in neurointerventional practice that can lead to serious medical consequences. Two endovascular procedures were interrupted at our institution after a cloudy liquid content was observed inside the rotating hemostatic valves (RHV) during microcatheter withdrawal. In both cases, the same type of microcatheter (Prowler Select Plus) and RHV (Merit) were being used, and coating dislodgement was suspected. Attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR) was used to identify the nature of such debris and compared it to samples obtained from different parts of an unused microcatheter and RHV. In an independent second analysis, an in vitro simulation of the withdrawal maneuver was conducted, followed by ATR-FTIR analysis. During both in vivo and in vitro observations, the presence of polyvinylpyrrolidone, a hydrophilic polymer commonly used for intravascular devices manufacture, was confirmed inside the RHV, and its origin was traced back to the surface coating of the distal and middle portions of the Prowler Select Plus microcatheter. This constitutes the first clinical report where hydrophilic coating dislodgement is linked to the microcatheter withdrawal maneuver using a specific microcatheter type, further replicated in an in vitro setting.

Impact of Ultrasonic-Assisted Preparation of Water Caltrop Starch-Lipid Complex: Structural and Physicochemical Properties.

This study investigates the effect of ultrasonic-assisted preparation on the structural and physicochemical properties of water caltrop starch-palmitic acid complexes as a function of ultrasound intensity and treatment time. All samples exhibited the characteristic birefringence of starch-lipid complexes under the polarized microscope, and flake-like and irregular structure under scanning electron microscope (SEM), indicating the formation of complexes through ultrasonic-assisted preparation. X-ray diffraction pattern further confirmed the transition from the original A-type structure for native starch to V-type structure for starch-lipid complexes, and the relative crystallinity of starch-lipid complexes increased as the ultrasound intensity and treatment time increased. Attenuated total reflectance-Fourier-transform infrared spectroscopy (ATR-FTIR) analysis indicated a decreasing trend in absorbance ratio at wavenumber of 1022 cm-1/995 cm-1, suggesting that the increase in the complex promoted the self-assembly within the short-range ordered structure, leading to the formation of bonds between the complexes. However, rapid-visco analysis (RVA) demonstrated that the viscosity generally decreased as the ultrasound intensity and treatment time increased, possibly due to the reduction in molecular weight by ultrasound. Differential scanning calorimetric (DSC) analysis revealed that the control starch-lipid complex without ultrasound treatment (US-0-0) exhibited two distinct endothermic peaks above 90 °C, representing Type I (95-105 °C) and Type II (110-120 °C) V-type complexes. However, ultrasound-treated samples showed only one peak around 95-105 °C and increased enthalpy (∆H), which was likely due to the breakdown of amylose and amylopectin, leading to more complex formation with palmitic acid, while the resulting shorter chains in the ultrasound-modified sample favor the formation of Type I complexes.

First report on the structural and functional aspects of androconial gland in Galleria mellonella and Achroia grisella

Aim: This research aims to provide the first comprehensive analysis of the anatomical and functional characteristics of the androconial glands in the Greater wax moth (Galleria mellonella L.) and the Lesser wax oth (Achroia grisella F.). The study seeks to investigate the morphology, dimensions, and chemical composition of androconial glands in these two Lepidoptera species. Methodology: A range of analytical techniques was employed, including Stereomicroscopy, Scanning Electron Microscopy (SEM), Attenuated Total Reflectance-Fourier Transform Infrared Spectrometry (ATR-FTIR), and Gas Chromatography-Mass Spectrometry (GC-MS). Results: Stereomicroscopy and SEM revealed the presence of an oval, bulb-shaped pheromonal glands on the mesowing of both species. Dimensional analysis showed that the and roconial gland in G. mellonella was 1.33 μm long and 4.74 μm wide, while in A. grisella it ranged from 1.23 to 2.33 μm. FT-IR analysis of the wings identified characteristic peaks at 1538.30, 1645.25, 2284.44, 2923.51 and 3275.28 cm-1, corresponding to the presence of alkanes, alcohols and carboxylic acids. GC-MS analysis identified two previously unreported compounds in male G. mellonella: heptadecane and heneicosane. Additionally, cis-9-hexadecenal was identified as a novel compound in male A. grisella. Interpretation: The findings of this study, provides valuable insights into managing wax moth infestations through pheromone-based strategies. Male wax moth pheromones can be effectively utilized as a tool, offering a sustainable and eco-friendly alternative to chemical pesticides. Key words: Androconial gland, Achroia grisella, Galleria mellonella, Lepidoptera, Pheromone

Extraction, Characterization and Antibacterial Activity of Chitosan from Mud Crab Scylla serrata

The shellfish waste accumulated on a huge scale at seashores and in the seafood industry and very low quantities were used to extract chitosan. In this study, chitosan was extracted from the mud crab Scylla serrata shell using conventional chemical methods. The extracted chitosan and commercial chitosan were verified through Field Emission Scanning Electron Microscopy (FE-SEM), Attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD), and an elemental analyzer. ATR-FTIR spectrum confirmed the presence of characteristics compounds of chitosan and XRD patterns exhibited crystallinity of chitosan having centered peaks at 10º and 20º in 2θ. Moreover, 46.24% of the degree of deacetylation was obtained for the extracted chitosan altogether enhancing the quality of extracted chitosan. In addition to this, the extracted chitosan was tested for its antibacterial activity against two Gram-negative (E. coli and Pseudomonas) and two Gram-positive bacteria (Staphylococcus and Bacillus) in vitro. The antimicrobial activity of extracted chitosan was evident with the greater zone of inhibition against E. coli (26±0.32mm) and the least against Staphylococcus (18mm). Hence the present study gives insight into the biological properties of extracted chitosan from Scylla serrata thereby paving the way for its further use in biomedical science and microbiology.

Rapid Identification of Clinically Relevant Candida spp. by I-dOne Software Using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) Spectroscopy.

Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy is a spectrum-based technique that quantifies the absorption of infrared light by molecules present in the microbial cell. The aim of the present study was to evaluate the performance of the ATR-FTIR spectroscopic technique via I-dOne software (Version 2.0) compared with the MALDI-TOF MS in identifying Candida spp. Each infrared spectrum was compared with spectra stored in the software database. The updated version of the I-dOne software was used to analyze ATR-FTIR spectra. All Candida isolates 284/284 (100%) were classified correctly according to the genus. Overall species identification yielded 272/284 (95.8%) concordant identification results with MALDI-TOF MS. Additionally, all 79 isolates belonging to the Candida parapsilosis species complex were identified correctly to the species level with the updated version of the I-dOne software. Only 12 (4.2%) isolates were misidentified at the species level. The present study highlights the potential diagnostic performance of the I-dOne software with ATR-FTIR spectroscopic technique referral spectral database as a real alternative for routine identification of the most frequently isolated Candida spp.

Salivary Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy Combined with Chemometric Analysis: A Potential Point-of-Care Approach for Chronic Kidney Disease Screening.

The increasing prevalence of chronic kidney disease (CKD) and its terminal stage, end-stage renal disease (ESRD), raises the importance of an accurate, early, and point-of-care method to diagnose and monitor patients. Saliva is a potential point-of-care diagnostic biofluid for its simple collection and ability to reflect systemic health status. This study investigated salivary spectral signatures in ESRD patients and their diagnostic potential compared to healthy controls. Saliva samples were collected from 24 ESRD patients undergoing hemodialysis and 24 age/sex-matched healthy controls. The dried saliva samples were analyzed using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy in the 4000-400 cm⁻¹ range. Chemometric analyses, including Principal Component Analysis (PCA) and Partial Least Squares Discriminant Analysis (PLS-DA), were applied to preprocessed spectra to identify discriminatory spectral features and establish classification models. Second derivative spectroscopic analysis of ATR-FTIR spectra revealed distinctive spectral patterns in dried ESRD saliva samples, including characteristic peak shifts observed in both the amide I secondary structures (from 1636 cm-1 in controls to 1629 cm-1 in ESRD) and carbohydrate (from 1037 cm-1 in controls to 1042 cm-1 in ESRD) regions. PCA demonstrated clear clustering patterns across key biological spectral regions, including the lipid CH stretching region (3000-2800 cm-1), the fingerprint region (1800-900 cm-1), and their combination (3000-2800 cm-1 + 1800-900 cm-1). PLS models based on the fingerprint region achieved optimal diagnostic performance (87.5-100% accuracy, 75-100% sensitivity, and 100% specificity). Biochemical markers associated with ESRD revealed variations in lipids, protein, sugar moieties, carbohydrates, and nucleic acids, reflecting the underlying pathological changes in CKD, with the most prominent band at ∼1405 cm-1. ATR-FTIR analysis of dried saliva demonstrated potential as a non-invasive diagnostic tool for ESRD. This approach could complement existing diagnostic methods, particularly in resource-limited settings or for frequent monitoring requirements.

Technical examination of Wat Sisowath Ratanaram panel painting

The technical examination on the early 20th century panel painting of Wat Sisowath Ratanaram was performed using optical microscopy (OM), scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS), X-ray diffraction (XRD), Micro-Raman spectroscopy (μ-RAMAN), attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and pyrolysis gas chromatography-mass spectrometry (Py-GC/MS). The investigation shows the mixture of minium, cinnabar and baryte in red preparation layer, quartz from the natural earth pigment in the underpaint layer and the pigments mixed with the additives in the paint layer. There are various pigments found in the paint layer ranging from emerald green, chalk, baryte, chrome yellow, ultramarine blue, carbon black and zinc white. Zinc white was widely utilized as the additive of green, yellow and blue paint layer. In addition, minium and carbon black were used to draw fine lines for image details. The degradation products of gypsum in the paint layer were evidenced by SEM-EDS and XRD. While the darkening of red lead in the red preparation layer was observed by OM. The trace of natural plant resin as a binding meium was found in S_Wood and S_Black samples evidencing by ATR-FTIR and Py-GC/MS. The 7 steps of painting technique were proposed by implementing all detailed scientific information.

Evaluation of mucilages efficacy in the removal of a natural adhesive (gacha) from a canvas by ATR – FTIR. First results

Nowadays the use of gelled systems to remove natural glues from cultural artefacts is very common, as they allow the application of controlled humidity to sensitive surfaces. These cleaning systems can be of natural or synthetic origin. The simplest gelled systems are made by adding a gelling agent (such us Laponite® RD, xanthan gum or agar-agar) to the cleaning agent.The aim of this research is to evaluate, using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR), the efficacy of hydrogels prepared from three commercial natural mucilages: guar, locust bean and konjac, in removing gacha from the reverse side of a canvas, and following the nowadays tendence that try to use eco-sustainable and bio-renewable cleaning materials. Gacha is an adhesive, made commonly with flour and animal glue as the main ingredients, used to line canvas paintings. The gels prepared were characterised by means of pH, electrical conductivity (EC), viscosity and aqueous phase release capacity. For this study, a mock-up of the canvas and the adhesive was prepared. Two application methods for the gels were tested: direct application and indirect using a physical barrier, with contact times of 15 and 30 min. The suitability of the mucilages in the elimination of the natural adhesive has been related to the decrease of the content of gacha on one side, and to the absence of gel residues after the cleaning process on the other, both parameters evaluated with ATR-FTIR analysis complemented with microscopic observations. The obtained results indicated that the removal of gacha was more effective with direct application, regardless of the mucilage used. On the other hand, mucilage residues are, in general, not significant, although in the case of direct application of guar and konjac for 15 min and locust bean and konjac for 30 min, the presence of mucilages traces were detected.