المؤلفون: Laura Figueroa, Nayara dos Santos, Pedro Santiago, Wanderson Romão, Valdemar Lacerda Junior, Javier Ellena, Ana Micheletti, Warley Borges

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: General Chemistry, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1eb8216f07668a968c6699ca1f5bc980

المؤلفون: Rafael Aparecido Carvalho Souza, Vito Labruna Cunha, Eduardo de Faria Franca, Victor Marcelo Deflon, Pedro I. S. Maia, Carolina Gonçalves Oliveira

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: General Chemistry, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8628d654604b6220f82ec6e55addaa11
https://doi.org/10.1002/slct.202202409

المؤلفون: Javier Ellena, Richard F. D'Vries, Elizabeth Castro-Giraldo, Camila A. García-Carreño, Camila Cardona-Restrepo, Oscar E. Rojas-Alvarez

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Crystal, chemistry.chemical_compound, Crystallography, chemistry, Intermolecular force, Molecule, Beta helix, Orthorhombic crystal system, General Chemistry, Crystal structure, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Conformational isomerism, Benzoic acid

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16932443ff81fd1546e985eacecdd548
https://doi.org/10.15446/rev.colomb.quim.v50n2.90173

المؤلفون: Romeiro, Rafael Risnik

Thesis Advisors: Pessoa Filho, Pedro de Alcântara

مصطلحات موضوعية: Cristalografia, Espalhamento, Estrutura molecular (Química teórica), Force field, Form factor, Molecular simulation, Proteínas, Proteins, Raios X, Small-angle X ray scattering

وصف الملف: application/pdf

الاتاحة: http://www.teses.usp.br/teses/disponiveis/3/3137/tde-20062017-114133/

المؤلفون: Gabriela S. A. Reis, Rafael M. de Souza, Mauro C. C. Ribeiro

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Anions, Ethylene Glycol, Materials Chemistry, Deep Eutectic Solvents, Solvents, Physical and Theoretical Chemistry, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Molecular Dynamics Simulation, Surfaces, Coatings and Films, Choline

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37cbef8a1c30f25125923cb14e100a51
https://pubmed.ncbi.nlm.nih.gov/35858287

المؤلفون: Bolaji C. Dayo Owoyemi, Cecilia Cp. da Silva, Javier Ellena, Renato Lajarim Carneiro, Benedito Roberto Alvarenga, Cristiane C. de Melo

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Thermogravimetric analysis, Chemistry, Hydrogen bond, Organic Chemistry, Combinatorial chemistry, Cocrystal, Analytical Chemistry, Inorganic Chemistry, Differential scanning calorimetry, Mechanochemistry, Yield (chemistry), Molecule, Amine gas treating, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Spectroscopy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::72db3983ddd477f7f271addabfbbae6d

المؤلفون: Renato Lajarim Carneiro, Benedito R. Alvarenga-Jr, Javier Ellena, Bolaji C. Dayo Owoyemi, Cecilia Carolina Pinheiro da Silva, Natalia Alvarez

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: chemistry.chemical_classification, Inorganic chemistry, Infrared spectroscopy, Salt (chemistry), General Chemistry, Condensed Matter Physics, chemistry.chemical_compound, chemistry, Ionic liquid, Melting point, Anhydrous, General Materials Science, Thermal stability, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Solubility, Thermal analysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09947b5ac486ac887e2033faeb384ff3
https://doi.org/10.1039/d0ce00723d

المؤلفون: Lilian Rodrigues de Oliveira, Douglas de Souza Gonçalves, Adriano de Souza Carolino, William Marcondes Facchinatto, Diogo de Carvalho Menezes, Cleverton Oliveira Dias, Luiz Alberto Colnago, Yurimiler Leyet Ruiz, Ştefan Ţălu, Henrique Duarte da Fonseca Filho, Puspitapallab Chaudhuri, Pedro Henrique Campelo, Yvonne Primerano Mascarenhas, Edgar Aparecido Sanches

المصدر: Molecules; Volume 27; Issue 19; Pages: 6326
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Chemistry (miscellaneous), poly(p-anisidine), conjugated polymer, DFT, head-to-tail, head-to-head, multifractal analysis, Organic Chemistry, Drug Discovery, Molecular Medicine, Pharmaceutical Science, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Physical and Theoretical Chemistry, Analytical Chemistry

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b40288f924cf268a671e3ecece01c1aa
https://doi.org/10.3390/molecules27196326

المؤلفون: Sofia Nascimento, Andréia Machado Leopoldino, Susimaire P. Mantoani, Emerson S. Bernardes, Peterson de Andrade, Ivone Carvalho, Gabriel Monteiro da Silva, Daniel Fábio Kawano, Paulo Sérgio Gonçalves Nunes

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: MAPK/ERK pathway, Cell cycle checkpoint, Antineoplastic Agents, Biochemistry, Sulfone, chemistry.chemical_compound, Structure-Activity Relationship, Lactate dehydrogenase, Cell Line, Tumor, Drug Discovery, Ulixertinib, Humans, Extracellular Signal-Regulated MAP Kinases, Molecular Biology, IC50, Protein Kinase Inhibitors, Cell Proliferation, Dose-Response Relationship, Drug, Molecular Structure, Kinase, Chemistry, Organic Chemistry, Triazoles, Molecular Docking Simulation, Quinazolines, Pharmacophore, Drug Screening Assays, Antitumor, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d5c9f5c4558ea80aae6ddff84d65ff5f

المؤلفون: Javier Ellena, Mayura M. M. Rubinger, Anderson S Rabello, Guilherme Ferreira de Lima, Rafael A.C. Souza, Silvana Guilardi, Eder do Couto Tavares, Giovanna R. N Silva, Édipo P Zanon, Laércio Zambolim

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Journal of the Brazilian Chemical Society, Volume: 32, Issue: 11, Pages: 2033-2046, Published: 25 OCT 2021
Journal of the Brazilian Chemical Society v.32 n.11 2021
Journal of the Brazilian Chemical Society
Sociedade Brasileira de Química (SBQ)
instacron:SBQ

مصطلحات موضوعية: Chemistry, Hirshfeld surface, frontier molecular orbitals, General Chemistry, Crystal structure, Antibonding molecular orbital, Medicinal chemistry, Adduct, chemistry.chemical_compound, Botrytis cinerea, sulfonamides, X-ray crystallography, Molecule, Molecular orbital, Density functional theory, Acrylonitrile, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

وصف الملف: text/html

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1eb383a5afc190324f396ce16e760e52

المؤلفون: André Luiz Meleiro Porto, Javier Ellena, Matheus Pereira de Jesus, Lucas Lima Zanin, Luan F. Diniz, David E. Q. Jimenez

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: 010405 organic chemistry, Organic Chemistry, Supramolecular chemistry, Crystal structure, 010402 general chemistry, 01 natural sciences, Combinatorial chemistry, 0104 chemical sciences, Analytical Chemistry, Catalysis, Benzopyran, Inorganic Chemistry, chemistry.chemical_compound, chemistry, Reagent, Knoevenagel condensation, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Triethylamine, Spectroscopy, Malononitrile

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a76cac125e4c37f4c1fa75883f9c1c3

المؤلفون: Alessandra Valério Nimtz, Jandyson M. Santos, Damila Rodrigues de Morais, Lilian de Melo Barbosa, José Luiz Costa, Marcelo Firmino de Oliveira, Marcos N. Eberlin

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Paper, Pharmaceutical Science, 01 natural sciences, Uhplc ms ms, Analytical Chemistry, 03 medical and health sciences, 0302 clinical medicine, Limit of Detection, Tandem Mass Spectrometry, Humans, Environmental Chemistry, Medicine, 030216 legal & forensic medicine, Furans, Chromatography, High Pressure Liquid, Spectroscopy, Chromatography, Molecular Structure, business.industry, 010401 analytical chemistry, 0104 chemical sciences, Analgesics, Opioid, Fentanyl, Substance Abuse Detection, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6187b75709191730854f75c53b3792fb
https://doi.org/10.1002/dta.2472

المؤلفون: Janaína S. da Silva, Bianca Sandrino, Patrícia Appelt, Camila M. de Lara, Juliana P. da Silva, Javier Ellena, Márcio P. de Araujo, Davi F. Back, Natalia Alvarez

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Coordination sphere, Chemistry, Ligand, Organic Chemistry, chemistry.chemical_element, Analytical Chemistry, Ruthenium, Inorganic Chemistry, NMR spectra database, Crystallography, Diphosphines, Octahedral molecular geometry, Proton NMR, Molecule, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Spectroscopy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::576fbe82555d6d80fb69e457473b0746
https://doi.org/10.1016/j.molstruc.2021.131262

المؤلفون: Dourado, Augusto Gouvêa

Thesis Advisors: Farah, Joao Pedro Simon

مصطلحات موضوعية: Estrutura molecular (Química teórica), Molecular structure (Theoretical chemistry), Quantum chemistry, Química quântica

وصف الملف: application/pdf

الاتاحة: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-29112018-114651/

المؤلفون: Rodrigues, André Luis Gois

Thesis Advisors: Borin, Antonio Carlos

مصطلحات موضوعية: Estrutura molecular (Química teórica), Molecular structure (Theoretical chemistry), Quantum chemistry, Química quântica

وصف الملف: application/pdf

الاتاحة: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-21092018-100103/

المؤلفون: Letícia V. Costa-Lotufo, Norberto Peporine Lopes, Tito Monteiro da Cruz Lotufo, Genivaldo G. Z. Silva, Amaro E. Trindade-Silva, Francisco das Chagas L. Pinto, Jacqueline Nakau Mendonça, Paula C. Jimenez, F. Carnevale-Neto, Bianca D. B. Sahm, Ricardo Pianta Rodrigues da Silva, Diego Veras Wilke, O. D. L. Pessoa

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: 0301 basic medicine, Palythoa caribaeorum, Biology, 01 natural sciences, Mass Spectrometry, Catalysis, 03 medical and health sciences, Metabolomics, Species Specificity, Materials Chemistry, Animals, Profiling (information science), Geography, Molecular Structure, 010401 analytical chemistry, Metals and Alloys, General Chemistry, Anthozoa, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, 030104 developmental biology, Evolutionary biology, Ceramics and Composites, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Brazil

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d558c0798396fb9cc17a14ec5d670e2c
https://doi.org/10.1039/c7cc08411k

المؤلفون: Gianella Facchin, Eduardo E. Castellano, Nicolás Veiga, María H. Torre, Javier Ellena, Natalia Alvarez

المصدر: Molecules, Vol 26, Iss 6520, p 6520 (2021)
Molecules
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Volume 26
Issue 21

مصطلحات موضوعية: antioxidant, Antioxidant, Stereochemistry, medicine.medical_treatment, Phenanthroline, Molecular Conformation, TBARS, Pharmaceutical Science, Antineoplastic Agents, Chemistry Techniques, Synthetic, Article, Antioxidants, Analytical Chemistry, Superoxide dismutase, DFT analysis, Structure-Activity Relationship, chemistry.chemical_compound, QD241-441, Drug Development, pro-oxidant, Coordination Complexes, Drug Discovery, medicine, copper complexes, Amino Acids, Physical and Theoretical Chemistry, Homoleptic, Xanthine oxidase, Density Functional Theory, Dipeptide, Dose-Response Relationship, Drug, Molecular Structure, biology, Superoxide, Organic Chemistry, Dipeptides, Oxidants, Pro-oxidant, X-ray diffraction, SOD-like activity, chemistry, Chemistry (miscellaneous), biology.protein, Molecular Medicine, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Oxidation-Reduction, Copper, Phenanthrolines

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a3550ba8154a79d1a33f9d7aac23831
https://doi.org/10.3390/molecules26216520

المؤلفون: Antônio Eduardo Miller Crotti, Renato L. T. Parreira, Ricardo Vessecchi, Eduardo J. Crevelin, Tatiana M. Vieira, Renato Pereira Orenha, Saulo Samuel Pereira Furtado

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Ions, Spectrometry, Mass, Electrospray Ionization, Molecular Structure, Chemistry, Electrospray ionization, 010401 analytical chemistry, Organic Chemistry, Deuterium Exchange Measurement, Protonation, Chemical Fractionation, Mass spectrometry, Tandem mass spectrometry, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Analytical Chemistry, Triple quadrupole mass spectrometer, Fragmentation (mass spectrometry), Diarylheptanoids, Tandem Mass Spectrometry, Hydrogen–deuterium exchange, Ion trap, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), Spectroscopy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d98dc043041e96ede9e77c1513f25b0

المؤلفون: Rangel L. Silva, Juceni P. David, Felipe T. Martins, Danielle Figuerêdo da Silva, Hugo Neves Brandão, Jorge Mauricio David, Cecília M. A. de Oliveira, Marcelo Franchin, Thiago M. Cunha, Clayton Q. Alves

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Male, 0301 basic medicine, Polygala, Primary Cell Culture, Down-Regulation, Stimulation, Pharmacology, Mice, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Downregulation and upregulation, Coumarins, Drug Discovery, Animals, heterocyclic compounds, Molecular Structure, biology, Interleukin-6, Tumor Necrosis Factor-alpha, Chemistry, NF-kappa B, General Medicine, Plant Components, Aerial, biology.organism_classification, Coumarin, NFKB1, Mice, Inbred C57BL, RAW 264.7 Cells, 030104 developmental biology, Cell culture, Macrophages, Peritoneal, Polygalaceae, Tumor necrosis factor alpha, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), 030217 neurology & neurosurgery

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3794a91b8f0178bbcc8930862735b184
https://doi.org/10.1016/j.fitote.2016.07.021

المؤلفون: Saskia Simon, Sérgio de Albuquerque, Ulrich Abram, Maximilian Roca Jungfer, Federico Salsi, Gisele Bulhões Portapilla, Adelheid Hagenbach

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Denticity, 010405 organic chemistry, Halogenation, chemistry.chemical_element, Rhenium, Carbon-13 NMR, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, chemistry, Fluorine, Electronic effect, Molecule, Phenyl group, Physical and Theoretical Chemistry, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::240ba6dfe889ba52a582e53e8c8521e3