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 Salazar, Carlos A. A1 Quaresma, Pedro A1 Pereira, Eulália A1 Franco, Jaime A1 Pernia Leal, Manuel A1 García-Martín, Maria Luisa A1 Royo, José Luis A1 Merkling, Patrick A1 Zaderenko Partida, Ana Paula A1 Pozo, David A1 Franco, Ricardo A1 Oliva Montero, José María K1 Surface enhanced Raman scattering K1 SERS K1 Finite element method K1 Density functional theory calculations K1 Cell labeling K1 Cancer 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. PB MDPI YR 2019 FD 2019 LK https://hdl.handle.net/10433/19932 UL https://hdl.handle.net/10433/19932 LA en NO Caro, C.; Quaresma, P.; Pereira, E.; Franco, J.; Pernia Leal, M.; García-Martín, M.L.; Royo, J.L.; Oliva-Montero, J.M.; Merkling, P.J.; Zaderenko, A.P.; et al. Synthesis and Characterization of Elongated-Shaped Silver Nanoparticles as a Biocompatible Anisotropic SERS Probe for Intracellular Imaging: Theoretical Modeling and Experimental Verification. Nanomaterials 2019, 9, 256. https://doi.org/10.3390/nano9020256 NO This work was supported by the following grants: In Spain: P07-FQM-02595 (to CC), P10-FQM-06615(to JMOM), P10-CTS-6928 (to DP) and PAIDI2020 Program (FQM319 to RFM and CTS677 to DP) from the RegionalMinistry of Economy, Junta de Andalucía, Spain. PI-0070/2008 (to PZ) and PI-0068/2008 (to DP) from the RegionalMinistry of Health, Junta de Andalucía, Spain. PI-14-1600 from the Spanish Ministry of Economy-Instituto deSalud Carlos III (to DP), and in Portugal: (a) Unidade de Ciências Biomoleculares Aplicadas-UCIBIO which isfinanced by Portuguese national funds from FCT/MEC (UID/Multi/04378/2013) and co-financed by the ERDFunder the PT2020 Partnership Agreement (POCI-01-0145-FEDER-007728); (b) European Union (FEDER fundsthrough COMPETE) and National Funds (FCT, Fundação para a Ciência e Tecnologia), under the PartnershipAgreement PT2020 through project UID/QUI/50006/2013-POCI/01/0145/FEDER/007265 (LAQV/REQUIMTE),Programa Operacional Regional do Norte (ON.2 - O Novo Norte), under the Quadro de Referência EstratégicoNacional (QREN) and funded by Fundo Europeu de Desenvolvimento Regional NORTE-01-0145-FEDER-000011;and (c) Grants EXPL/CTM-NAN/0754/2013 and PTDC/CTM-NAN/2912/2014, and post-doctoral fellowship(SFRH/BPD/84018/2012) to PQ, all financed by Fundação para a Ciência e a Tecnologia, Portugal.Acknowledgments: The authors thank the Conservation and Restoration Department, FCT/UNL and LAQV,REQUIMTE for the use of the Jobin-Yvon Raman spectrometer. Special thanks to Maria Jesús Sayagues forTEM images and useful discussion. In remembrance of Jose Antonio Mejías Romero on the 10th anniversary ofhis death. NO Universidad Pablo de Olavide, Departamento de Sistemas Físicos, Químicos y Naturales DS RIO RD May 22, 2026