{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,10]],"date-time":"2026-10-10T02:08:37Z","timestamp":1791598117805,"version":"4.3.4"},"reference-count":34,"publisher":"MDPI AG","issue":"22","license":[{"start":{"date-parts":[[2025,11,7]],"date-time":"2025-11-07T00:00:00Z","timestamp":1762473600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Sensors"],"abstract":"<jats:p>NG, NG-dimethylarginine (ADMA) is an endogenous compound that acts as a competitive inhibitor of nitric oxide synthase (NOS), thereby reducing nitric oxide (NO) production and contributing to endothelial dysfunction. This dysfunction plays a pivotal role in the development of various pathological conditions, including cardiovascular disease, chronic renal failure, and diabetes. The diminished bioavailability of NO is a critical factor in the progression of these disorders, and alterations in ADMA levels have emerged as significant predictors of cardiovascular events and mortality. In this study, we investigated the molecular characteristics of ADMA using a combined approach of Raman and Fourier Transform Infrared (FT-IR) spectroscopy, complemented by computational simulations with the GaussView 5.0.8 and Gaussian 09 software suite. Experimental Raman and FT-IR spectra were acquired and compared with simulated spectra generated through Density Functional Theory (DFT) calculations. This comparative analysis enabled precise vibrational band assignments and the identification of key molecular vibrational modes, providing valuable insights into ADMA\u2019s structural and vibrational properties. These findings establish a comprehensive spectroscopic reference for ADMA, supporting its potential application as a biomarker in clinical diagnostics.<\/jats:p>","DOI":"10.3390\/s25226818","type":"journal-article","created":{"date-parts":[[2025,11,7]],"date-time":"2025-11-07T14:55:15Z","timestamp":1762527315000},"page":"6818","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Asymmetric Dimethylarginine Vibrational Spectroscopy Spectra and Density Functional Theory Model"],"prefix":"10.3390","volume":"25","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-1896-2105","authenticated-orcid":false,"given":"Luis Pablo","family":"Canul-Solis","sequence":"first","affiliation":[{"name":"Facultad de Ciencias, Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Parque Chapultepec 1570, San Luis Potos\u00ed 78295, San Luis Potos\u00ed, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0632-2265","authenticated-orcid":false,"given":"Ma. del Carmen","family":"Rodr\u00edguez-Aranda","sequence":"additional","affiliation":[{"name":"Facultad de Ciencias, Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Parque Chapultepec 1570, San Luis Potos\u00ed 78295, San Luis Potos\u00ed, Mexico"},{"name":"Coordinaci\u00f3n para la Innovaci\u00f3n y Aplicaci\u00f3n de la Ciencia y la Tecnolog\u00eda (CIACYT), Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Sierra Leona 550, San Luis Potos\u00ed 78210, San Luis Potos\u00ed, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0542-3921","authenticated-orcid":false,"given":"Emmanuel","family":"Rivera-P\u00e9rez","sequence":"additional","affiliation":[{"name":"Facultad de Ciencias, Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Parque Chapultepec 1570, San Luis Potos\u00ed 78295, San Luis Potos\u00ed, Mexico"},{"name":"Coordinaci\u00f3n para la Innovaci\u00f3n y Aplicaci\u00f3n de la Ciencia y la Tecnolog\u00eda (CIACYT), Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Sierra Leona 550, San Luis Potos\u00ed 78210, San Luis Potos\u00ed, Mexico"},{"name":"Secretar\u00eda de Ciencia, Humanidades, Tecnolog\u00eda e Innovaci\u00f3n, Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Parque Chapultepec 1570, San Luis Potos\u00ed 78295, San Luis Potos\u00ed, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0536-4394","authenticated-orcid":false,"given":"Alejandra","family":"Ortiz-Dosal","sequence":"additional","affiliation":[{"name":"Facultad de Ciencias, Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Parque Chapultepec 1570, San Luis Potos\u00ed 78295, San Luis Potos\u00ed, Mexico"},{"name":"Coordinaci\u00f3n para la Innovaci\u00f3n y Aplicaci\u00f3n de la Ciencia y la Tecnolog\u00eda (CIACYT), Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Sierra Leona 550, San Luis Potos\u00ed 78210, San Luis Potos\u00ed, Mexico"},{"name":"Secretar\u00eda de Ciencia, Humanidades, Tecnolog\u00eda e Innovaci\u00f3n, Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Parque Chapultepec 1570, San Luis Potos\u00ed 78295, San Luis Potos\u00ed, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2313-2810","authenticated-orcid":false,"given":"Edgar","family":"Guevara","sequence":"additional","affiliation":[{"name":"Facultad de Ciencias, Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Parque Chapultepec 1570, San Luis Potos\u00ed 78295, San Luis Potos\u00ed, Mexico"},{"name":"Coordinaci\u00f3n para la Innovaci\u00f3n y Aplicaci\u00f3n de la Ciencia y la Tecnolog\u00eda (CIACYT), Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. Sierra Leona 550, San Luis Potos\u00ed 78210, San Luis Potos\u00ed, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4276-8627","authenticated-orcid":false,"given":"Erick Osvaldo","family":"Mart\u00ednez-Ruiz","sequence":"additional","affiliation":[{"name":"Centro de Investigaci\u00f3n en Qu\u00edmica Aplicada (CIQA), Blvd. Enrique Reyna 140, Saltillo 25294, Coahuila, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3685-9808","authenticated-orcid":false,"given":"Luis Carlos","family":"Ortiz-Dosal","sequence":"additional","affiliation":[{"name":"Maestr\u00eda en Ciencia e Ingenier\u00eda de los Materiales (MCIM-UAZ), Universidad Aut\u00f3noma de Zacatecas, 801 L\u00f3pez Velarde St. 9800, Zacatecas 98160, Zacatecas, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-3261-1770","authenticated-orcid":false,"given":"Ad\u00e1n","family":"Reyes-Reyes","sequence":"additional","affiliation":[{"name":"Facultad de Ciencias, Universidad Aut\u00f3noma de San Luis Potos\u00ed, Av. 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Sierra Leona 550, San Luis Potos\u00ed 78210, San Luis Potos\u00ed, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,11,7]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Dowsett, L., Higgins, E., Alanazi, S., Alshuwayer, N.A., Leiper, F.C., and Leiper, J. (2020). ADMA: A Key Player in the Relationship between Vascular Dysfunction and Inflammation in Atherosclerosis. J. Clin. Med., 9.","DOI":"10.3390\/jcm9093026"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"1377","DOI":"10.1515\/CCLM.2004.257","article-title":"Determination of asymmetric dimethylarginine (ADMA) using a novel ELISA assay","volume":"42","author":"Schulze","year":"2004","journal-title":"Clin. Chem. Lab. Med."},{"key":"ref_3","doi-asserted-by":"crossref","unstructured":"Tsikas, D. (2020). 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