RT Journal Article T1 Synthesis and Characterization of Elongated-Shaped Silver Nanoparticles as a Biocompatible Anisotropic SERS Probe for Intracellular Imaging: Theoretical Modeling and Experimental Verification. A1 Caro, Carlos A1 Quaresma, Pedro A1 Pereira, Eulália A1 Franco, Jaime A1 Pernia Leal, Manuel A1 García-Martín, Maria Luisa A1 Royo, Jose Luis A1 Oliva-Montero, Jose Maria A1 Merkling, Patrick Jacques A1 Zaderenko, Ana Paula A1 Pozo, David A1 Franco, Ricardo K1 SERS K1 cancer K1 cell labeling K1 density functional theory calculations K1 finite element method K1 surface enhanced Raman scattering AB Progress in the field of biocompatible SERS nanoparticles has promising prospects for biomedical applications. In this work, we have developed a biocompatible Raman probe by combining anisotropic silver nanoparticles with the dye rhodamine 6G followed by subsequent coating with bovine serum albumin. This nanosystem presents strong SERS capabilities in the near infrared (NIR) with a very high (2.7 × 10⁷) analytical enhancement factor. Theoretical calculations reveal the effects of the electromagnetic and chemical mechanisms in the observed SERS effect for this nanosystem. Finite element method (FEM) calculations showed a considerable near field enhancement in NIR. Using density functional quantum chemical calculations, the chemical enhancement mechanism of rhodamine 6G by interaction with the nanoparticles was probed, allowing us to calculate spectra that closely reproduce the experimental results. The nanosystem was tested in cell culture experiments, showing cell internalization and also proving to be completely biocompatible, as no cell death was observed. Using a NIR laser, SERS signals could be detected even from inside cells, proving the applicability of this nanosystem as a biocompatible SERS probe. SN 2079-4991 YR 2019 FD 2019-02-13 LK http://hdl.handle.net/10668/13590 UL http://hdl.handle.net/10668/13590 LA en DS RISalud RD Apr 7, 2025