Potential Role of Fourier Transform Infrared Spectroscopy as a Screening Approach for Breast Cancer.

Breast cancer is a heterogeneous disease, and its spread involves a succession of clinical and pathological stages. Screening is predominantly based on mammography, which has critical limitations related to the effectiveness and production of false-positive or false-negative results, generating discomfort and low adherence. In this context, infrared with attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy emerges as a non-destructive sample tool, which is non-invasive, label-free, has a low operating-cost, and requires only a small amount of sample, including liquid plasma samples. We sought to evaluate the clinical applicability of ATR FT-IR in breast cancer screening. ATR FT-IR spectroscopy through its highest potential spectral biomarker could distinguish, by liquid plasma biopsy, breast cancer patients and healthy controls, obtaining a sensitivity of 97%, specificity of 93%, a receiver operating characteristic ROC curve of 97%, and a prediction accuracy of 94%. The main variance between the groups was mainly in the band 1511 cm-1 of the control group, 1502 and 1515 cm-1 of the cancer group, which are the peaks of the bands referring to proteins and amide II. ATR FT-IR spectroscopy has demonstrated to be a promising tool for breast cancer screening, given its time efficiency, cost of approach, and its high ability to distinguish between the liquid plasma samples of breast cancer patients and healthy controls.

Screening of Gunshot Residue in Skin Using Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Hyperspectral Microscopy.

The detection of gunshot residues (GSR) in skin is important in criminal forensic investigations related with firearms. Conventionally, the procedure is based on the detection of metallic or inorganic residues (IGSR). In this work, we propose attenuated total reflectance Fourier transform infrared (ATR FT-IR) hyperspectral microscopy as a complementary and nondestructive technique for detection of organic GSR (OGSR). The spectra were acquired from GSR of three ammunition manufacturers, which were collected from shooter's hands by the tape-lifting method. Before spectroscopic analysis, a Na-Ca bleach solution was added to all GSR samples on the tape for destroying skin debris. Positive detection of OGSR spectra were achieved by ATR FT-IR hyperspectral microscopy. Spectra show characteristic patterns of nitrate ester compounds which agrees with the propellant chemical composition. Characteristic ATR FT-IR spectral patterns of OGSR were measured from visualized GSR particles demonstrating the potential of ATR FT-IR hyperspectral microscopy.

Adverse effects of respiratory disease medicaments and tooth brushing on teeth: A scanning electron microscopy, X-ray fluorescence and infrared spectroscopy study.

The present study aims to evaluate the effect of brushing with fluoride dentifrice on teeth severely affected by erosion due to respiratory medicaments. Enamel (n = 50) and dentin (n = 50) bovine specimens were prepared and treated with artificial saliva (S-control), acebrofilin hydrochloride (AC), ambroxol hydrochloride (AM), bromhexine hydrochloride (BR), and salbutamol sulfate (SS) and subjected to cycles of demineralization (immersing in 3 mL, 1 min, three times a day at intervals of 1 hr, for 5 days) followed by remineralization (saliva, 37°C, 1 hr). Simulated brushing with fluoridated toothpaste was performed using 810 strokes in a reciprocal-action brushing simulator. Scanning electron microscopy, micro energy dispersive X-ray fluorescence (µ-EDXRF) spectroscopy and attenuated total reflection Fourier transform infrared (ATR FTIR) spectroscopy were then performed. µ-EDXRF images showed extensive erosion after treatment with all medicaments. SEM images showed enamel erosion in order SS > BR > AC = AM > S after brushing and fluoridation. FTIR results were in agreement. In case of dentin, µ-EDXRF measurements showed significant difference in mineral content (percent weight of calcium and phosphate) in SS + brushing + fluoridation treated enamel compared to control, while µ-EDXRF images showed erosive effects in the order SS > AM>BR > AC = S post brushing + fluoridation. SEM images showed erosion in the order SS > AM = BR > AC > S post brushing + fluoridation. Again, FTIR multivariate results were in agreement. Overall, our study shows that proper oral care is critical when taking certain medication. The study also demonstrates the possible use of FTIR for rapid clinical monitoring of tooth erosion in clinics.

Application of In-Line Mid-Infrared (MIR) Spectroscopy Coupled with Calorimetry for the Determination of the Molar Enthalpy of Reaction between Ammonium Chloride and Sodium Nitrite.

The reaction between ammonium chloride and sodium nitrite has been known for its application as a source of heat because of its large enthalpy of reaction, for which it has been used by the oil industry. There have been no known calorimetric studies for the experimental determination of its molar enthalpy of reaction, which is necessary in order to predict the limits achieved for up-scale applications. Attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) and reaction calorimetry were used to determine this value by using a simple methodology. Both techniques were used concomitantly as a source of information regarding the time-dependent moles converted (Δn) and the amount of exchanged heat (ΔH). The molar enthalpy of reaction was calculated to be -74 ± 4 kcal mol(-1). The percentage between the confidence interval and the calculated value was 5.4%, which shows that the methodology was precise. After the determination of the molar enthalpy of reaction, it was proved that the ATR FT-IR alone was able to be used as a substitute for the reaction calorimetry technique, in which the IR signal is converted to the heat information, presenting as an easier technique for the monitoring of the heat released by this system for future applications.