MnO2/TiO2-Catalyzed ozonolysis: enhancing Pentachlorophenol degradation and understanding intermediates

Autor: Cristian Valdés, Cristina Quispe, Rubén A. Fritz, Rodrigo Andler, Jorge Villaseñor, Gina Pecchi, Edgardo Avendaño, Alvaro Delgadillo, William N. Setzer, Javad Sharifi-Rad

Publikováno v: BMC Chemistry, Vol 18, Iss 1, Pp 1-13 (2024)

Abstract Pentachlorophenol is a pesticide widely known for its harmful effects on sewage, causing harm to the environment. In previous studies, our group identified adsorption as a crucial factor in catalytic ozonation processes, and subsequent obser

Externí odkaz: https://doaj.org/article/68b0a6cf9f344cf6893b24a42038e560

Machine Learning Identification of Organic Compounds Using Visible Light

Autor: Thulasi Bikku, Rubén A. Fritz, Yamil J. Colón, Felipe Herrera

Publikováno v: The Journal of Physical Chemistry A. 127:2407-2414

Identifying chemical compounds is essential in several areas of science and engineering. Laser-based techniques are promising for autonomous compound detection because the optical response of materials encodes enough electronic and vibrational inform

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9f8baa9751656f7be30f7fae8ff6b16
https://doi.org/10.1021/acs.jpca.2c07955

Understanding correlation between structure and entangled photon pair properties with metal-organic frameworks

Autor: Sanoj Raj, Rubén A. Fritz, Felipe Herrera, Yamil J. Colón

Spontaneous parametric down conversion (SPDC) is a quantum second-order non- linear optical process where the photons generated are frequently used in quantum information processing. Materials with large second-order nonlinearities (χ(2)) can be use

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3e536ad11ae50ed749848ea733adec96
https://doi.org/10.26434/chemrxiv-2023-ljqrp

Multiscale simulations of clavulanate inhibition identify the reactive complex in class A β-lactamases and predict efficiency of inhibition

Autor: Marc W. van der Kamp, Rubén A. Fritz, Adrian J. Mulholland, James Spencer, Jans Alzate-Morales

Publikováno v: Fritz, R, Alzate-Morales, J H, Spencer, J, Mulholland, A J & Van Der Kamp, M W 2018, ' Multiscale simulations of clavulanate inhibition identify the reactive complex in class A β-lactamases and predict efficiency of inhibition ', Biochemistry . https://doi.org/10.1021/acs.biochem.8b00480
Biochemistry
Artículos CONICYT
CONICYT Chile
instacron:CONICYT

Clavulanate is used as an effective drug in combina-tion with β-lactam antibiotics to treat infections of some antibiotic resistant bacteria. Here, we per-form combined quantum mechanics / molecular mechanics simulations of several covalent com-plex

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48c5092a3e80aaeb64cddb64c71b9023
https://research-information.bris.ac.uk/ws/files/158111127/Biochemistry_Comm_Fritz_final.pdf