{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,21]],"date-time":"2026-01-21T14:11:30Z","timestamp":1769004690075,"version":"3.49.0"},"reference-count":58,"publisher":"MDPI AG","issue":"21","license":[{"start":{"date-parts":[[2023,11,2]],"date-time":"2023-11-02T00:00:00Z","timestamp":1698883200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"European Union\u2019s Horizon 2020 research and innovation programme","award":["860185"],"award-info":[{"award-number":["860185"]}]},{"name":"ISCRA initiative","award":["860185"],"award-info":[{"award-number":["860185"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Sensors"],"abstract":"<jats:p>For the progress of point-of-care medicine, where individual health status can be easily and quickly monitored using a handheld sensor, saliva serves as one of the best-suited body fluids thanks to its availability and abundance of physiological indicators. Salivary biomarkers, combined with rapid and highly sensitive detection tools, may pave the way to new real-time health monitoring and personalized preventative therapy branches using saliva as a target matrix. Saliva is increasing in importance in liquid biopsy, a non-invasive approach that helps physicians diagnose and characterize specific diseases in patients. Here, we propose a proof-of-concept study combining the unique specificity in biomolecular recognition provided by surface-enhanced Raman spectroscopy (SERS) in combination with molecular dynamics (MD) simulations, which give leave to explore the biomolecular absorption mechanism on nanoparticle surfaces, in order to verify the traceability of two validated salivary indicators, i.e., interleukin-8 (IL-8) and lysozyme (LYZ), implicated in oropharyngeal squamous cell carcinoma (OSCC) and oral infection. This strategy simultaneously assures the detection and interpretation of protein biomarkers in saliva, ultimately opening a new route for the evolution of fast and accurate point-of-care SERS-based sensors of interest in precision medicine diagnostics.<\/jats:p>","DOI":"10.3390\/s23218915","type":"journal-article","created":{"date-parts":[[2023,11,2]],"date-time":"2023-11-02T02:05:07Z","timestamp":1698890707000},"page":"8915","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":17,"title":["Label-Free SERS and MD Analysis of Biomarkers for Rapid Point-of-Care Sensors Detecting Head and Neck Cancer and Infections"],"prefix":"10.3390","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2533-9695","authenticated-orcid":false,"given":"Edoardo","family":"Farnesi","sequence":"first","affiliation":[{"name":"Institute of Physical Chemistry (IPC) and Abbe Center of Photonics (ACP), Friedrich Schiller University Jena, Member of Leibniz Centre for Photonics in Infection Research (LPI), Helmholtzweg 4, 07743 Jena, Germany"},{"name":"Leibniz Institute of Photonic Technology, Member of Leibniz Health Technologies, Member of Leibniz Centre for Photonics in Infection Research (LPI), Albert-Einstein-Stra\u00dfe 9, 07745 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1088-7253","authenticated-orcid":false,"given":"Silvia","family":"Rinaldi","sequence":"additional","affiliation":[{"name":"Institute for the Chemistry of Organo Metallic Compounds, National Research Council of Italy (CNR), Via Madonna del Piano 10, Sesto Fiorentino, 50019 Florence, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chen","family":"Liu","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry (IPC) and Abbe Center of Photonics (ACP), Friedrich Schiller University Jena, Member of Leibniz Centre for Photonics in Infection Research (LPI), Helmholtzweg 4, 07743 Jena, Germany"},{"name":"Leibniz Institute of Photonic Technology, Member of Leibniz Health Technologies, Member of Leibniz Centre for Photonics in Infection Research (LPI), Albert-Einstein-Stra\u00dfe 9, 07745 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3051-2835","authenticated-orcid":false,"given":"Jonas","family":"Ballmaier","sequence":"additional","affiliation":[{"name":"Department of Otorhinolaryngology-Head and Neck Surgery, Jena University Hospital, 07747 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9671-0784","authenticated-orcid":false,"given":"Orlando","family":"Guntinas-Lichius","sequence":"additional","affiliation":[{"name":"Department of Otorhinolaryngology-Head and Neck Surgery, Jena University Hospital, 07747 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3807-3630","authenticated-orcid":false,"given":"Michael","family":"Schmitt","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry (IPC) and Abbe Center of Photonics (ACP), Friedrich Schiller University Jena, Member of Leibniz Centre for Photonics in Infection Research (LPI), Helmholtzweg 4, 07743 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dana","family":"Cialla-May","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry (IPC) and Abbe Center of Photonics (ACP), Friedrich Schiller University Jena, Member of Leibniz Centre for Photonics in Infection Research (LPI), Helmholtzweg 4, 07743 Jena, Germany"},{"name":"Leibniz Institute of Photonic Technology, Member of Leibniz Health Technologies, Member of Leibniz Centre for Photonics in Infection Research (LPI), Albert-Einstein-Stra\u00dfe 9, 07745 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Juergen","family":"Popp","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry (IPC) and Abbe Center of Photonics (ACP), Friedrich Schiller University Jena, Member of Leibniz Centre for Photonics in Infection Research (LPI), Helmholtzweg 4, 07743 Jena, Germany"},{"name":"Leibniz Institute of Photonic Technology, Member of Leibniz Health Technologies, Member of Leibniz Centre for Photonics in Infection Research (LPI), Albert-Einstein-Stra\u00dfe 9, 07745 Jena, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,11,2]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"77","DOI":"10.3389\/fpubh.2017.00077","article-title":"Saliva Liquid Biopsy for Point-of-Care Applications","volume":"5","author":"Aro","year":"2017","journal-title":"Front. 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