A COMPUTATIONAL STUDY OF THE ANTIOXIDANT POWER OF EUGENOL COMPARED TO VITAMIN C von Rasul, Hezha, Aziz, Bakhtyar, Morán, Guillermo, Mendoza-Huizar, Luis, Belhassan, Assia, Candia, Lorena, Villada, Wilson, Sadasivam, Kandasamy

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Theoretical investigation of the molecular structure, vibrational spectra, and molecular docking of tramadol using density functional theory von Umar, Yunusa, Abdalla, Sahar, Haque, SK Manirul, Moran, Guillermo Salgado, Ishaq, Abdurrahman, Villada, Wilson Cardona, Leone, Jorge Dagnino, Bunster, Marta

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Pyrene Scaffold as Real-Time Fluorescent Turn-on Chemosensor for Selective Detection of Trace-Level Al(III) and Its Aggregation-Induced Emission Enhancement von Shyamal, Milan, Mazumdar, Prativa, Maity, Samir, Sahoo, Gobinda P, Salgado-Morán, Guillermo, Misra, Ajay

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Aggregation induced emission enhancement from Bathophenanthroline microstructures and its potential use as sensor of mercury ions in water von Mazumdar, Prativa, Das, Debasish, Sahoo, Gobinda Prasad, Salgado-Morán, Guillermo, Misra, Ajay

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Insights on the mechanism, reactivity and selectivity of fructose and tagatose dehydration into 5-hydroxymethylfurfural: A DFT study von Meneses-Olmedo, Lorena Maribel, Cuesta Hoyos, Sebastián, Salgado Moran, Guillermo, Cardona Villada, Wilson, Gerli Candia, Lorena, Mendoza-Huizar, Luis H.

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A computational predicting of possible inhibitors of the main SARS-CoV-2 protease found in Algerian herbal medicines von Yabrir, Benalia, Belhassan, Assia, SalgadoMoran, Guillermo, Lakhlifi, Tahar, Bouachrine, Mohammed, Candia, Lorena Gerli

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Computational study of the binding mode, action mechanism and potency of pregabalin through molecular docking and quantum mechanical descriptors von Meneses, Lorena, Cuesta Hoyos, Sebastian, Salgado Morán, Guillermo, Muñoz C., Patricio, Gerli Candia, Lorena, Mendoza-Huizar, Luis H., Belhassan, Assia

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Computational Nanochemistry Report on the OxicamsConceptual DFT Indices and Chemical Reactivity von Martínez-Araya, Jorge Ignacio, Salgado-Morán, Guillermo, Glossman-Mitnik, Daniel

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Aggregation induced emission enhancement of 4,4′-bis(diethylamino)benzophenone with an exceptionally large blue shift and its potential use as glucose sensor von Mazumdar, Prativa, Das, Debasish, Sahoo, Gobinda Prasad, Salgado-Morán, Guillermo, Misra, Ajay

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Docking studies on novel analogs of quinolones against DNA gyrase of Escherichia coli von Cristian Davila, Lorena Llach, Guillermo Salgado-Moran, Rodrigo Ramirez-Tagle

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OPTOELECTRONIC PROPERTIES OF TRIPHENYLAMINE BASED DYES FOR SOLAR CELL APPLICATIONS. A DFT STUDY von Fahim, Zakaria, Bouzzin, Si Mohamed, Hamidi, Mouay, Bouachrine, Mohammed, Hamidi, Mohamed, Salgado-Morán, Guillermo, Mendoza-Huizar, Luis, Alvarez-Romero, Giaan

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DFT Study of Polythiophene Energy Band Gap and Substitution Effects von Bouzzine, Si. Mohamed, Salgado-Morán, Guillermo, Hamidi, Mohamed, Bouachrine, Mohammed, Pacheco, Alison Geraldo, Glossman-Mitnik, Daniel

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Preparation and Characterization of Cerium (III) Doped Captopril Nanoparticles and Study of their Photoluminescence Properties von Ghamami, Shahriar, Kazemzade Anari, Sanaz, Bakhshi, Masome, Lashgari, Amir, Salgado-Morán, Guillermo, Glossman-Mitnik, Daniel

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Computational Nutraceutics: Chemical Reactivity Properties of the Flavonoid Naringin by Means of Conceptual DFT von Martínez-Araya, Jorge Ignacio, Salgado-Morán, Guillermo, Glossman-Mitnik, Daniel

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Morphological Investigation and Fractal Properties of Realgar Nanoparticles von Salgado-Morán, Guillermo, Shomossi, Farzaneh, Bahrami, Zahra, Ghamami, Shahriar, Lashgari, Amir, Glossman-Mitnik, Daniel

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Solvatochromism and turn-off fluorescence sensing property of N,N′-bis(3-pentyl)perylene-3, 4, 9, 10-bis(dicarboximide) towards nitroaromatics and photophysical study of its micros... von Maity, Samir, Shyamal, Milan, Mazumdar, Prativa, Sahoo, Gobinda Prasad, Maity, Rakesh, Salgado-Morán, Guillermo, Misra, Ajay

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Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosis von Salgado-Moran, Guillermo, Ramirez-Tagle, Rodrigo, Glossman-Mitnik, Daniel, Ruiz-Nieto, Samuel, Kishore-Deb, Pran, Bunster, Marta, Lobos-Gonzalez, Francisco

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Morphology directing synthesis of benzo[a]pyrene microstructures and their photo physical properties von Das, Debasish, Sahoo, Gobinda P., Mazumdar, Prativa, Maity, Asim, Chattopadhyay, Dipankar, Salgado-Morán, Guillermo, Misra, Ajay

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Morphology directing synthesis of 1-pyrene carboxaldehyde microstructures and their photo physical properties von Sahoo, Gobinda Prasad, Das, Debasish, Sheet, Partha Sarathi, Beg, Hasibul, Salgado-Morán, Guillermo, Misra, Ajay

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Virtual Screening: Using Molecular Docking and 3D-QSAR Analysis of Matrix Metalloproteinase Inhibitors von Amador-Falcón, Laura, Rodríguez-Clavijo, Daniela, Baldiris-Ávila, Rosa, Valdiris-Ávila, Verónica, Salgado-Morán, Guillermo, Glossman-Mitnik, Daniel, Vivas-Reyes, Ricardo

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