SAJID FAROOQ
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Artigo IPEN-doc 30236 Quantitative analysis of high performance plasmonic metamolecules for targeted deep tissues applications2023 - FAROOQ, SAJID; RATIVA, DIEGO; ARAUJO, RENATO E. deRationally designed gold nanoparticles (Au NPs) show a great potential for biomedical applications. Specifically, for optically induced heating of deep tissues facilitated by plasmonic-assisted lasers, nanostructures with high optical absorption coefficient in biological window are required. Plasmonic metamolecules, such as gold nanodimers (NDs), exhibit a robust localized field enhancement with strong infrared optical absorption. However, an exclusive investigation of the optical/ thermal features of high-performance Au NDs for optical infrared heating remains a challenge. Here, we focus on Au NDs for optothermal characteristics in deep tissues heating procedures. Our analysis encompasses parameters such as absorption cross-sections, field enhancement, and temperature rise with a systematic methodology selecting optimal NDs. Our findings reveal a non-uniform spatial distribution of temperature at the nano-scale and show that short-pulsed laser excitation enhances the temperature near the dimer’s junction. Remarkably, when compared to monomeric gold nanorods under the same excitation resonance mode, optically generated heating of Au NDs leads a threefold higher temperature increase. These results evidence valuable insights for using Au NDs as efficient plasmonic nanoheaters in photothermal-assisted applications.Artigo IPEN-doc 29788 Rapid identification of breast cancer subtypes using micro-FTIR and machine learning methods2023 - FAROOQ, SAJID; DEL-VALLE, MATHEUS; SANTOS, MOISES O. dos; SANTOS, SOFIA N. dos; BERNARDES, EMERSON S.Breast cancer (BC) molecular subtypes diagnosis involves improving clinical uptake by Fourier transform infrared (FTIR) spectroscopic imaging, which is a non-destructive and powerful technique, enabling label free extraction of biochemical information towards prognostic stratification and evaluation of cell functionality. However, methods of measurements of samples demand a long time to achieve high quality images, making its clinical use impractical because of the data acquisition speed, poor signal to noise ratio, and deficiency of optimized computational framework procedures. To address those challenges, machine learning (ML) tools can facilitate obtaining an accurate classification of BC subtypes with high actionability and accuracy. Here, we propose a ML-algorithmbased method to distinguish computationally BC cell lines. The method is developed by coupling the K-neighbors classifier (KNN) with neighborhood components analysis (NCA), and hence, the NCA-KNN method enables to identify BC subtypes without increasing model size as well as adding additional computational parameters. By incorporating FTIR imaging data, we show that classification accuracy, specificity, and sensitivity improve, respectively, 97.5%, 96.3%, and 98.2%, even at very low co-added scans and short acquisition times. Moreover, a clear distinctive accuracy (up to 9 %) difference of our proposed method (NCA-KNN) was obtained in comparison with the second best supervised support vector machine model. Our results suggest a key diagnostic NCA-KNN method for BC subtypes classification that may translate to advancement of its consolidation in subtype-associated therapeutics.Artigo IPEN-doc 29715 Selecting plasmonic nanoshells for colorimetric sensors2023 - BALTAR, RAPHAEL M.S.M.; FAROOQ, SAJID; ARAUJO, RENATO E. deIn this work, the use of gold and silver nanoshells was evaluated as a starting point for the establishment of colorimetric sensor platforms. The sensitivity and linearity of the nanoplatforms (SiO2 core–metallic shell nanoparticles) were assessed under the influence of the nanoshell configuration, color space, and light source illuminant. A computational procedure for selecting high-performance plasmonic colorimetric sensor platforms is described. The evaluation methodology involves considering five different color spaces and 15 different color components. By exploring crucial figures of merit for sensing, the performance of the plasmonic nanoplatforms was evaluated, exploring Mie theory. We determined that gold nanoshells are highly efficient on colorimetric sensing, while silver nanoshells are a better choice for spectroscopic sensors. Plasmonic nanoplatforms based on nanoshells with 10 nm SiO2 core radii and 5 nm thick Au shells presented sensitivity values up to 4.70 RIU−1 , considering the hue angle of the HSV color space. Color variation of up to 40% was observed, due to the adsorption of a 10 nm thick molecular layer on the gold nanoshell surface. In the search for advances in colorimetric biosensors, the optimization approach used in this work can be extended to different nanostructures.