Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N’-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide
Karrouchi, Khalid, Brandán, Silvia A., Sert, Yusuf, El-marzouqi, Hakima, Radi, Smaail, Ferbinteanu, Marilena, Faouzi, My El Abbes, Garcia, Yann, Ansar, M’hammed
Published in Journal of molecular structure (05.11.2020)
Published in Journal of molecular structure (05.11.2020)
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5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies
Douche, Dhaybia, Sert, Yusuf, Brandán, Silvia A., Kawther, Ameed Ahmed, Bilmez, Bayram, Dege, Necmi, Louzi, Ahmed El, Bougrin, Khalid, Karrouchi, Khalid, Himmi, Banacer
Published in Journal of molecular structure (15.05.2021)
Published in Journal of molecular structure (15.05.2021)
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Journal Article
Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide
Karrouchi, Khalid, Brandán, Silvia A., Sert, Yusuf, Karbane, Miloud El, Radi, Smaail, Ferbinteanu, Marilena, Garcia, Yann, Ansar, M'hammed
Published in Journal of molecular structure (05.02.2021)
Published in Journal of molecular structure (05.02.2021)
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Journal Article
Theoretical study on the structure, spectroscopic, and current–voltage behavior of 11-Cis and Trans retinal isomers in rhodopsin
Hamedian, Amin, Vakili, Mohammad, Brandán, Silvia A., Akbari, Mahmood, Kanaani, Ayoub, Darugar, Vahidreza
Published in Scientific reports (30.05.2024)
Published in Scientific reports (30.05.2024)
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Crystal structure, computational study, optical and vibrational properties of a new luminescent material based on bismuth(III): (C10H28N4)[Bi2Cl10]
Ouerghi, Zeineb, Guionneau, Philippe, Brandan, Silvia Antonia, Temel, Ersin, Kefi, Riadh
Published in Journal of solid state chemistry (01.11.2021)
Published in Journal of solid state chemistry (01.11.2021)
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Journal Article
Synthesis, X-ray, spectroscopy, molecular docking and DFT calculations of (E)-N'-(2,4-dichlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide
Karrouchi, Khalid, Brandán, Silvia A., Hassan, Mubashir, Bougrin, Khalid, Radi, Smaail, Ferbinteanu, Marilena, Garcia, Yann, Ansar, M'hammed
Published in Journal of molecular structure (15.03.2021)
Published in Journal of molecular structure (15.03.2021)
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Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)
Trabelsi, Sonia, Issaoui, Noureddine, Brandán, Silvia A., Bardak, Fehmi, Roisnel, Thierry, Atac, Ahmet, Marouani, Houda
Published in Journal of molecular structure (05.06.2019)
Published in Journal of molecular structure (05.06.2019)
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Synthesis, crystal structure, Hirshfeld surface analysis, DFT and antihyperglycemic activity of 9-allyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Saddik, Rafik, Brandán, Silvia A., Mortada, Salma, Baydere, Cemile, Roby, Othmane, Dege, Necmi, Tighadouini, Said, Tahiri, Mohamed, Faouzi, My Abbes, Karrouchi, Khalid
Published in Journal of molecular structure (05.07.2023)
Published in Journal of molecular structure (05.07.2023)
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Journal Article
Pyridazine derivative as potent antihyperglycemic agent: Synthesis, crystal structure, α-amylase and α-glucosidase inhibition and computational studies
Assila, Hamza, Brandán, Silvia A., Mortada, Salma, Zaoui, Younes, Alzahrani, Abdullah Yahya Abdullah, Arshad, Suhana, Ramli, Youssef, Faouzi, My El Abbes, Karrouchi, Khalid, Ansar, M'hammed
Published in Journal of molecular structure (15.07.2024)
Published in Journal of molecular structure (15.07.2024)
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Journal Article
Synthesis, spectroscopic and DFT studies of 5-methyl-1H-pyrazole-3-carbohydrazide N-glycoside as potential anti-diabetic and antioxidant agent
Mortada, Salma, Brandán, Silvia A., Karrouchi, Khalid, El-guourrami, Otman, doudach, Latifa, Bacha, Rim El, Ansar, M'hammed, Faouzi, My El Abbes
Published in Journal of molecular structure (05.11.2022)
Published in Journal of molecular structure (05.11.2022)
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2-(allylthio)-5-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole: Synthesis, single crystal XRD, spectroscopic characterization, antidiabetic activity, DFT and ADMET studies
Hassani, Issam Ameziane El, Brandán, Silvia A., Mortada, Salma, Arshad, Suhana, Romano, E., Ramli, Youssef, Mague, Joel T., Faouzi, My El Abbes, Karrouchi, Khalid, Ansar, M'hammed
Published in Journal of molecular structure (05.01.2024)
Published in Journal of molecular structure (05.01.2024)
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Journal Article
Synthesis, NMR, FT-IR, FT-Raman spectra and thermal studies of Choline bis(trifluoromethylsulfonyl)imide ionic liquid combined with DFT calculations
Haddad, Boumediene, Brandán, Silvia Antonia, Castillo, María V., Touil, Aya Khadidja, Paolone, Annalisa, Fetouhi, Bekhaled, Bar, Nathalie, Villemin, Didier, Rahmouni, Mustapha, Bresson, Serge
Published in Journal of molecular structure (15.07.2024)
Published in Journal of molecular structure (15.07.2024)
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Vibrational assignments of cyclic dimers and inter-monomers of adenine relating FT-IR, FT-Raman and UV spectra with SQMFF and DFT calculations
Cataldo, Pablo G., Iramain, Maximiliano A., Castillo, María V., Manzur, María E., Romano, Elida, Brandán, Silvia Antonia
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2024)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2024)
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Journal Article
Synthesis, crystal structure, spectroscopic, antidiabetic, antioxidant and computational investigations of Ethyl 5-hydroxy-1-isonicotinoyl-3-methyl-4,5-dihydro-1H-pyrazole-5-carboxylate
Karrouchi, Khalid, Mortada, Salma, Issaoui, Noureddine, El-guourrami, Otman, Arshad, Suhana, Bouatia, Mustapha, Sagaama, Abir, Benzeid, Hanane, Karbane, Miloud El, Faouzi, My El Abbes, Brandán, Silvia A.
Published in Journal of molecular structure (05.03.2022)
Published in Journal of molecular structure (05.03.2022)
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An experimental study of the structural and vibrational properties of sesquiterpene lactone cnicin using FT-IR, FT-Raman, UV–visible and NMR spectroscopies
Chain, Fernando, Romano, Elida, Leyton, Patricio, Paipa, Carolina, Catalán, César Atilio Nazareno, Fortuna, Mario Antonio, Brandán, Silvia Antonia
Published in Journal of molecular structure (22.05.2014)
Published in Journal of molecular structure (22.05.2014)
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Structural and vibrational investigation on species derived from the cyclamic acid in aqueous solution by using HATR and Raman spectroscopies and SCRF calculations
Brizuela, Alicia B., Raschi, Ana B., Castillo, María V., Davies, Lilian, Romano, Elida, Brandán, Silvia A.
Published in Journal of molecular structure (25.09.2014)
Published in Journal of molecular structure (25.09.2014)
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Journal Article
FT-IR, FT-Raman, UV–Visible, and NMR spectroscopy and vibrational properties of the labdane-type diterpene 13-epi-sclareol
Chain, Fernando E., Leyton, Patricio, Paipa, Carolina, Fortuna, Mario, Brandán, Silvia A.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.03.2015)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.03.2015)
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Synthesis, X-Ray, Spectral Characterization, DFT, and Molecular Docking Calculations of 2-(5-Nitro-1-H-Indazol-1-yl) Acetic Acid
El Hafi, Mohamed, Boulhaoua, Mohammed, Lahmidi, Sanae, Anouar, El Hassane, Abad, Nadeem, El Ghayati, Lhoussaine, Mague, Joel T., Castillo, María V., Brandán, Silvia Antonia, Essassi, El Mokhtar
Published in Polycyclic aromatic compounds (13.09.2024)
Published in Polycyclic aromatic compounds (13.09.2024)
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