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Novas fronteiras em reações de acoplamento cruzado mediadas por paládio: associando catálise enantiosseletiva, ativações C-H, novos materiais e reações em fluxo visando alta eficiência e sustentabilidade em processos sintéticos

Processo: 14/25770-6
Linha de fomento:Auxílio à Pesquisa - Temático
Vigência: 01 de novembro de 2015 - 31 de julho de 2022
Área do conhecimento:Ciências Exatas e da Terra - Química - Química Orgânica
Pesquisador responsável:Carlos Roque Duarte Correia
Beneficiário:Carlos Roque Duarte Correia
Instituição-sede: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brasil
Pesq. associados:Ana Flávia Nogueira ; Ataualpa Albert Carmo Braga ; Caio Costa Oliveira ; Daniela Barretto Barbosa Trivella ; Júlio Cezar Pastre ; Paulo Cesar Muniz de Lacerda Miranda
Auxílios(s) vinculado(s):18/09665-9 - 16th International Congress of Quantum Chemistry, AR.EXT
Bolsa(s) vinculada(s):22/03731-5 - Síntese de novos derivados marinoquinolínicos com potencial atividade antimalárica, BP.DR
21/14403-6 - Aplicações da reação de Heck-Matsuda enantiosseletiva na síntese de indolinas enantiomericamente enriquecidas: desenvolvimento metodológico e aplicações, BP.DD
21/14298-8 - Dessimetrizações enantiosseletivas via reações de Heck-Matsuda: desenvolvimento de novas metodologias e aplicações, BP.DD
+ mais bolsas vinculadas 19/25657-9 - Arilações radicalares de enecarbamatos endocíclicos via fotoredox: desenvolvimento do novo método, derivatizações e aplicações sintéticas, BP.DR
19/02052-4 - Estudos mecanísticos computacionais de funcionalizações de alcenos catálisadas por metais de transição: modelos não intuitivos de indução enantiosseletiva aplicados na formação de estereocentros contíguos e difuncionalizações., BP.PD
19/11337-2 - Reação de Heck-Matsuda bisdirecional enantiosseletiva, BP.IC
19/04803-7 - Estudo do efeito de um grupo espaçador metilênico em marinoquinolinas: síntese e avaliação biológica, BP.IC
18/03143-0 - Desenvolvimento de novas marinoquinolinas como agentes antimalariais: planejamento, síntese e avaliação biológica, BP.DR
18/16916-8 - Dessimetrizações enantiosseletivas e regiosseletivas orientadas pelo substrato utilizando a reação de Heck-Matsuda, BP.DD
18/08627-6 - Reações de acoplamento C-C estereosseletivas catalisadas por níquel: design, avaliação de ligantes e aplicações sintéticas, BP.PD
17/18238-4 - Reações de ativação catalítica C-H: estudo computacional visando eficiência atômica na fixação de CO2, BP.PD
18/00271-8 - Síntese Enantiosseletiva de Heterociclos via Reações Intramoleculares e Dessimetrizações Utilizando Sais de Arenodiazônio, BP.PD
17/21494-2 - Sínteses de compostos farmacologicamente ativos a partir da reação de Heck-Matsuda enantiosseletiva e novos estudos envolvendo a acilação enantiosseletiva de compostos ciclopentênicos e cicloexênicos , BP.PD
18/02945-6 - Estudos iniciais e desenvolvimento da reação de Heck-Matsuda intramolecular em cascata empregando dióxido de carbono, BP.DD
17/11316-0 - Síntese e avaliação de novas marinoquinolinas com potencial atividade antimalarial, BP.PD
17/18207-1 - Avaliação de novos catalisadores quirais de paládio e aplicação no desenvolvimento da reação de Heck-Matsuda enantiosseletiva em novos modelos olefínicos: estudos computacionais, BP.PD
17/18023-8 - Preparação de novos catalisadores quirais de paládio e aplicação no desenvolvimento da reação de Heck-Matsuda enantiosseletiva em novos modelos olefínicos, BP.PD
16/18061-4 - Arilação de Heck-Matsuda de Éteres Alquenílicos e Derivados: Expansão, Estudos Mecanísticos e Aplicações Sintéticas da Estratégia de Redox-Relay, BP.DR
16/21487-3 - Estudos visando a reação de Heck oxidativa enantiosseletiva, BP.IC
16/00268-1 - Novas fronteiras em reações de acoplamento cruzado mediadas por paládio: associando catálise enantiosseletiva, ativações C-H, novos materiais e reações em fluxo visando alta eficiência e sustentabilidade em processos sintéticos, BP.IC - menos bolsas vinculadas
Assunto(s):Fármacos  Catálise  Síntese orgânica 

Resumo

As reações de acoplamento cruzado mediadas pelo paládio constituem hoje em dia uma classe de reações extremamente úteis em síntese orgânica. Apenas para citar alguns exemplos, destacamos os acoplamentos envolvendo os haletos/tosilatos/mesilatos de arila: (i) a reação de Heck-Mizoroki, com olefinas; (ii) o acoplamento de Negishi, utilizando compostos organozinco/organoalumínio; (iii) Corriu Kumada Murahashi, com os reagentes de Grignard; (iv) o acoplamento de Stille, empregando compostos organoestanho; (v) o acoplamento de Suzuki Miyaura, com compostos organoboro; (vi) o acoplamento de Hiyama, com compostos organosilício; e (vii) o acoplamento de Sonogashira, envolvendo alcinos terminais. Embora haja um grande número dessas reações disponíveis ao químico orgânico sintético, ainda existe espaço químico bastante considerável para o desenvolvimento e uso de outras variações desses processos sintéticos em vista do amplo escopo dos mesmos. Vários aspectos importantes desses acoplamentos ainda não são bem compreendidos e muitas dessas metodologias ainda precisam ser aprimoradas visando alcançar um alto nível de aplicabilidade. Com a intenção de buscar a fronteira do conhecimento nestas ferramentas que nos são tão úteis e versáteis, propomos estabelecer novos alvos de estudo, a saber: (i) uma compreensão mais profunda de seus aspectos mecanísticos e emprego da indução assimétrica no acoplamento cruzado mediado pelo paládio, em particular a reação de Heck empregando sais (tetrafluoroboratos) de arenodiazônio (reação de Heck-Matsuda), (ii) migração das reações de acoplamento cruzado mediado pelo paládio em fase homogênea para condições de síntese em fluxo contínuo em fase heterogênea; e (iii) desenvolvimento e aplicação de reações de acoplamento cruzado mediadas por paládio menos difundidas, com ênfase na ativação C-H oxidativa, a reação de Fujiwara-Moritani; e na reação de Tsutsui-Narasaka para a preparação de compostos heterocíclicos. A presente proposta engloba as três vertentes descritas acima, tendo como objetivos gerais: 1) expandir o uso da metodologia de acoplamento cruzado mediada por paládio, investigando novas fronteiras do conhecimento, como a investigação da transferência de quiralidade em reações de Heck-Matsuda (empregando sais de arenodiazônio), tanto em batelada quanto em fluxo contínuo, 2) novas aplicações para o acoplamento cruzado oxidativo entre sistemas aromáticos, 3) o uso do paládio para a construção de novos materiais orgânicos funcionais, 4) a aplicação de métodos computacionais modernos no estudo dessas reações catalisada por paládio, 5) a avaliação da inibição de processos enzimáticos e atividade biológica in vitro, com destaque para a inibição do proteassomo e alvos enzimáticos para doenças negligenciadas e, 6) desenvolvimento e emprego de novos corantes para células solares sensibilizadas. (AU)

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Publicações científicas (90)
(Referências obtidas automaticamente do Web of Science e do SciELO, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores)
DE OLIVEIRA, JULIANA MANSO; ANGNES, RICARDO ALMIR; KHAN, ISMAT ULLAH; POLO, ELLEN CHRISTINE; HEERDT, GABRIEL; SERVILHA, BRUNO M.; MENEZES DA SILVA, VITOR H.; BRAGA, ATAUALPA A. C.; DUARTE CORREIA, CARLOS ROQUE. Enantioselective, Noncovalent, Substrate-Directable Heck-Matsuda and Oxidative Heck Arylations of Unactivated Five-Membered Carbocyclic Olefins. CHEMISTRY-A EUROPEAN JOURNAL, v. 24, n. 45, p. 11738-11747, . (16/04963-6, 13/25849-9, 14/25770-6, 13/07600-3, 15/01491-3, 17/18207-1, 13/00544-0)
CARMONA, RAFAELA C.; KOSTER, OTTO D.; DUARTE CORREIA, CARLOS ROQUE. Chiral N,NLigands Enabling Palladium-Catalyzed Enantioselective Intramolecular Heck-Matsuda Carbonylation Reactions by Sequential Migratory and CO Insertions. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, v. 57, n. 37, p. 12067-12070, . (18/00271-8, 14/25770-6, 13/07600-3, 13/10183-5)
MENEZES DA SILVA, VITOR H.; DE LIMA BATISTA, ANA PAULA; NAVARRO, OSCAR; BRAGA, ATAUALPA A. C.. Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: Exploring density functionals methods and molecular models. Journal of Computational Chemistry, v. 38, n. 28, p. 2371-2377, . (14/25770-6, 13/04813-6, 15/22203-6, 15/01491-3)
KHAN, MUHAMMAD USMAN; IBRAHIM, MUHAMMAD; KHALID, MUHAMMAD; CARMO BRAGA, ATAUALPA ALBERT; AHMED, SARFRAZ; SULTAN, AYESHA. Prediction of Second-Order Nonlinear Optical Properties of D--A Compounds Containing Novel Fluorene Derivatives: A Promising Route to Giant Hyperpolarizabilities. JOURNAL OF CLUSTER SCIENCE, v. 30, n. 2, p. 415-430, . (14/25770-6, 15/01491-3, 11/07895-8)
NASEEM, SAIRA; KHALID, MUHAMMAD; TAHIR, MUHAMMAD NAWAZ; HALIM, MOHAMMAD A.; BRAGA, ATAUALPA A. C.; NASEER, MUHAMMAD MOAZZAM; SHAFIQ, ZAHID. Synthesis, structural, DFT studies, docking and antibacterial activity of a xanthene based hydrazone ligand. Journal of Molecular Structure, v. 1143, p. 235-244, . (14/25770-6, 15/01491-3)
SANTOS, CARLA C. F.; PARADELA, LUCIANA S.; NOVAES, LUIZ F. T.; DIAS, SANDRA M. G.; PASTRE, JULIO C.. Design and synthesis of cenocladamide analogues and their evaluation against breast cancer cell lines. MedChemComm, v. 8, n. 4, p. 755-766, . (14/15968-3, 14/25770-6, 14/26378-2, 15/08199-6)
LUCCHESE, ANGELICA M.; DI VITTA, CLAUDIO; VILCACHAGUA, JANAINA D.; NAKAGAWA, JULIANA M.; FRANCO, MAURICIO P.; BRAGA, ATAUALPA A. C.; MARZORATI, LILIANA. Conformation of some 2,4,6-trisubstitued pyridinium salts. Journal of Molecular Structure, v. 1149, p. 640-644, . (15/01491-3, 14/25770-6)
FORNI, JOSE AUGUSTO; TONETO NOVAES, LUIZ FERNANDO; GALAVERNA, RENAN; PASTRE, JULIO C.. Novel polystyrene-immobilized chiral amino alcohols as heterogeneous ligands for the enantioselective arylation of aldehydes in batch and continuous flow regime. CATALYSIS TODAY, v. 308, n. SI, p. 86-93, . (14/26093-8, 15/08199-6, 14/25770-6, 14/26378-2)
NACIUK, FABRICIO F.; CASTRO, JOAQUIM A. M.; SERIKAVA, BRUNO K.; MIRANDA, PAULO C. M. L.. Straightforward Synthesis of Isoellipticine by Palladium-Catalysed Coupling Reactions. CHEMISTRYSELECT, v. 3, n. 2, p. 436-439, . (14/25770-6)
OLIVEIRA, RAFAEL L.; OLIVEIRA, CRISTINE S.; LANDERS, RICHARD; CORREIA, CARLOS R. D.. Pd Nanoparticles Immobilized on Graphene Oxide/Silica Nanocomposite: Efficient and Recyclable Catalysts for Cross-Coupling Reactions. CHEMISTRYSELECT, v. 3, n. 2, p. 535-543, . (14/25770-6, 15/07773-0)
SILVA, ALLAN R.; POLO, ELLEN C.; MARTINS, NELSON C.; CORREIA, CARLOS ROQUE D.. Enantioselective Oxy-Heck-Matsuda Arylations: Expeditious Synthesis of Dihydrobenzofuran Systems and Total Synthesis of the Neolignan (-)-Conocarpan. ADVANCED SYNTHESIS & CATALYSIS, v. 360, n. 2, p. 346-365, . (13/17083-6, 13/25886-1, 14/25770-6, 13/07600-3)
GALAVERNA, RENAN; BREITKREITZ, MARCIA C.; PASTRE, JULIO C.. Conversion of D-Fructose to 5-(Hydroxymethyl)furfural: Evaluating Batch and Continuous Flow Conditions by Design of Experiments and In-Line FTIR Monitoring. ACS SUSTAINABLE CHEMISTRY & ENGINEERING, v. 6, n. 3, p. 4220-4230, . (13/07607-8, 16/05636-9, 14/25770-6, 06/57897-9, 14/26378-2)
NOVAES, LUIZ F. T.; PASTRE, JULIO C.. Formal Total Synthesis of Actinoranone and Asymmetric Synthesis of Labda-7,13-(E)-dien-15-ol. ORGANIC LETTERS, v. 19, n. 12, p. 3163-3166, . (14/26378-2, 14/25770-6, 15/08199-6)
MAZHAR, SANA; KHALID, MUHAMMAD; TAHIR, MUHAMMAD NAWAZ; HAROON, MUHAMMAD; AKHTAR, TASHFEEN; KHAN, MUHAMMAD USMAN; JALEEL, FARRUKH; ASLAM, MUHAMMAD. Facile Synthesis, Crystal Growth, Quantum Chemical Studies of Electronic Structure and of the Profoundly Persuasive NLO Organic Crystal: Ethyl 4-[N,N-bis(p-toluenesulfonyl)]- Aminobenzoate. JOURNAL OF THE CHEMICAL SOCIETY OF PAKISTAN, v. 41, n. 1, p. 122-132, . (14/25770-6, 15/01491-3)
SCARPA DE SOUZA, EDSON LEONARDO; WIETHAN, CARSON; DUARTE CORREIA, CARLOS ROQUE. Iron-Catalyzed Meerwein Carbooxygenation of Electron-Rich Olefins: Studies with Styrenes, Vinyl Pyrrolidinone, and Vinyl Oxazolidinone. ACS OMEGA, v. 4, n. 20, p. 18918-18929, . (18/08627-6, 13/07600-3, 14/25770-6)
GROTHE, RENATA A.; LOBATO, ALNILAN; MOUNSSEF, BASSIM; TASI, NIKOLA; BRAGA, ATAUALPA A. C.; MALDANER, ADRIANO O.; ALDOUS, LEIGH; PAIXAO, THIAGO R. L. C.; GONCALVES, LUIS MOREIRA. Electroanalytical profiling of cocaine samples by means of an electropolymerized molecularly imprinted polymer using benzocaine as the template molecule. ANALYST, v. 146, n. 5, p. 1747-1759, . (14/25770-6, 18/13922-7, 15/01491-3, 19/05569-8, 18/14425-7, 18/08782-1, 19/11214-8)
DE LIMA BATISTA, ANA PAULA; DE OLIVEIRA-FILHO, ANTONIO G. S.; BRAGA, ATAUALPA A. C.. Unveiling the potential of scandium complexes for methane C-H bond activation: a computational study. NEW JOURNAL OF CHEMISTRY, v. 43, n. 31, p. 12257-12263, . (15/01491-3, 17/11631-2, 15/11714-0, 14/25770-6, 17/18238-4)
KHALID, MUHAMMAD; ALI, AKBAR; HAQ, SADIA; TAHIR, MUHAMMAD NAWAZ; IQBAL, JAVED; BRAGA, ATAUALPA A. C.; ASHFAQ, MUHAMMAD; AKHTAR, SAMEE UL HASSAN. O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation. Journal of Molecular Structure, v. 1224, . (14/25770-6, 15/01491-3)
DE LIMA BATISTA, ANA PAULA; DE OLIVEIRA-FILHO, ANTONIO G. S.; BRAGA, ATAUALPA A. C.. Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 3, . (15/01491-3, 17/18238-4, 15/11714-0, 14/25770-6, 17/11631-2)
DE OLIVEIRA, MARCELO T.; ALVES, JULIA M. A.; BRAGA, ATAUALPA A. C.; WILSON, DAVID J. D.; BARBOZA, CRISTINA A.. Do Double-Hybrid Exchange-Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 17, n. 11, p. 6876-6885, . (13/07375-0, 14/25770-6, 15/01491-3, 13/07600-3)
KHALID, MUHAMMAD; KHAN, MUHAMMAD USMAN; AHMED, SAEED; SHAFIQ, ZAHID; ALAM, MOHAMMED MUJAHID; IMRAN, MUHAMMAD; BRAGA, ATAUALPA ALBERT CARMO; AKRAM, MUHAMMAD SAFWAN. Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells. SCIENTIFIC REPORTS, v. 11, n. 1, . (15/01491-3, 14/25770-6)
TARIQ, SOBIA; KHALID, MUHAMMAD; RAZA, ABDUL RAUF; RUBAB, SYEDA LAILA; DE ALCANTARA MORAIS, SARA FIGUEIREDO; KHAN, MUHAMMAD USMAN; TAHIR, MUHAMMAD NAWAZ; CARMO BRAGA, ATAUALPA ALBERT. Experimental and computational investigations of new indole derivatives: A combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis. Journal of Molecular Structure, v. 1207, . (14/25770-6, 15/01491-3)
RAZA, ABDUL RAUF; NISAR, BUSHRA; KHALID, MUHAMMAD; GONDAL, HUMAIRA YASMEEN; KHAN, MUHAMMAD USMAN; DE ALCANTARA MORAIS, SARA FIGUEIREDO; TAHIR, MUHAMMAD NAWAZ; BRAGA, ATAUALPA ALBERT CARMO. A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 230, . (14/25770-6, 15/01491-3, 11/07895-8)
CURY, NATHALIA MORENO; CAPITAO, REBECA MONIQUE; BORGES DE ALMEIDA, RENAN DO CANTO; ARTICO, LEONARDO LUIS; CORREA, JULIANA RONCHI; SIMAO DOS SANTOS, ERIC FRANCISCO; YUNES, JOSE ANDRES; DUARTE CORREIA, CARLOS ROQUE. Synthesis and evaluation of 2-carboxy indole derivatives as potent and selective anti-leukemic agents. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, v. 181, . (13/07600-3, 17/02400-7, 14/25770-6, 17/03239-5, 17/14737-6, 14/08247-8)
LIGIERO, CAROLINA B. P.; OLIVEIRA, THIAGO V.; FONTES, CHARBEL C. F.; BARRAGAN, JOSE T. C.; SO, FERNANDA W. Y.; KUBOTA, LAURO T.; NOME, RENE A.; MIRANDA, PAULO C. M. L.. TIMPZ: An Exquisite Building Block for Metal/Hydrogen Coordination Polymers. European Journal of Inorganic Chemistry, n. 17, p. 2291-2294, . (14/25770-6)
KHALID, MUHAMMAD; ULLAH, MALIK AMAN; ADEEL, MUHAMMAD; KHAN, MUHAMMAD USMAN; TAHIR, UHAMMAD NAWAZ; CARMO BRAGA, ATAUALPA ALBERT. Synthesis, crystal structure analysis, spectral IR, UV-Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study. JOURNAL OF SAUDI CHEMICAL SOCIETY, v. 23, n. 5, p. 546-560, . (14/25770-6, 15/01491-3)
MENEZES DA SILVA, VITOR H.; MORGON, NELSON H.; CORREIA, CARLOS R. D.; BRAGA, ATAUALPA A. C.. DFT perspective on the selectivity and mechanism of ligand-free Heck reaction involving allylic esters and arenediazonium salts. JOURNAL OF ORGANOMETALLIC CHEMISTRY, v. 896, p. 5-15, . (14/25770-6, 15/01491-3, 17/18207-1, 13/04813-6, 11/07895-8)
KATTELA, SHIVASHANKAR; DE LUCCA, EMILIO C.; CORREIA, CARLOS ROQUE D.. Enantioselective Synthesis of Phthalides and Isochromanones via Heck-Matsuda Arylation of Dihydrofurans. CHEMISTRY-A EUROPEAN JOURNAL, v. 24, n. 67, p. 17691-17696, . (14/05407-4, 14/25770-6, 17/18023-8, 13/07600-3)
JAWARIA, RIFAT; HUSSAIN, MAZHAR; KHALID, MUHAMMAD; KHAN, MUHAMMAD USMAN; TAHIR, MUHAMMAD NAWAZ; NASEER, MUHAMMAD MOAZZAM; CARMO BRAGA, ATAUALPA ALBERT; SHAFIQ, ZAHID. Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: A DFT refine experimental study. Inorganica Chimica Acta, v. 486, p. 162-171, . (14/25770-6, 15/01491-3)
DAMIAO, MARIANA C. F. C. B.; GALAVERNA, RENAN; KOZIKOWSKI, ALAN P.; EUBANKS, JAMES; PASTRE, JULIO C.. Telescoped continuous flow generation of a library of highly substituted 3-thio-1,2,4-triazoles. REACTION CHEMISTRY & ENGINEERING, v. 2, n. 6, p. 896-907, . (13/07607-8, 14/26378-2, 14/25770-6, 15/18572-6)
AHMAD, MUHAMMAD SAEED; KHALID, MUHAMMAD; SHAHEEN, MUHAMMAD ASHRAF; TAHIR, MUHAMMAD NAWAZ; KHAN, MUHAMMAD USMAN; BRAGA, ATAUALPA ALBERT CARMO; SHAD, HAZOOR AHMAD. Synthesis and XRD, FT-IR vibrational, UV-vis, and nonlinear optical exploration of novel tetra substituted imidazole derivatives: A synergistic experimental-computational analysis. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, v. 115, p. 265-276, . (14/25770-6, 15/01491-3)
KHAN, MUHAMMAD USMAN; KHALID, MUHAMMAD; SHAFIQ, IQRA; KHERA, RASHEED AHMAD; SHAFIQ, ZAHID; JAWARIA, RIFAT; SHAFIQ, MUHAMMAD; ALAM, MOHAMMED MUJAHID; BRAGA, ATAUALPA ALBERT CARMO; IMRAN, MUHAMMAD; et al. heoretical investigation of nonlinear optical behavior for rod and T-Shaped phenothiazine based D-pi-A organic compounds and their derivative. JOURNAL OF SAUDI CHEMICAL SOCIETY, v. 25, n. 10, . (14/25770-6, 15/01491-3)
VIEIRA, CAMILA G.; ANGNES, RICARDO A.; BRAGA, ATAUALPA A. C.; GUSEVSKAYA, V, ELENA; ROSSI, LIANE M.. Palladium-catalyzed sabinene oxidation with hydrogen peroxide: Smart fragrance production and DFT insights. MOLECULAR CATALYSIS, v. 517, . (15/01491-3, 19/02052-4, 14/25770-6)
KHAN, MUHAMMAD USMAN; KHALID, MUHAMMAD; KHERA, RASHEED AHMAD; AKHTAR, MUHAMMAD NADEEM; ABBAS, AMNA; REHMAN, MUHAMMAD FAYYAZ UR; BRAGA, ATAUALPA ALBERT CARMO; ALAM, MOHAMMED MUJAHID; IMRAN, MUHAMMAD; WANG, YAO; et al. Influence of acceptor tethering on the performance of nonlinear optical properties for pyrene-based materials with A-pi-D-pi-D architecture. ARABIAN JOURNAL OF CHEMISTRY, v. 15, n. 3, . (15/01491-3, 14/25770-6)
CHEN, MING-TSZ; HSIEH, BING-YAN; LIU, YI-HUNG; WU, KUO-HUI; LUSSARI, NATALIA; BRAGA, ATAUALPA A. C.. N,N `-bridged binuclear NHC palladium complexes: A combined experimental catalytic and computational study for the Suzuki reaction. Applied Organometallic Chemistry, v. 34, n. 10, . (15/01491-3, 14/25770-6)
KHALID, MUHAMMAD; KHAN, MUHAMMAD USMAN; SHAFIQ, IQRA; HUSSAIN, RIAZ; ALI, AKBAR; IMRAN, MUHAMMAD; BRAGA, ATAUALPA A. C.; REHMAN, MUHAMMAD FAYYAZ UR; AKRAM, MUHAMMAD SAFWAN. Structural modulation of pi-conjugated linkers in D-pi-A dyes based on triphenylamine dicyanovinylene framework to explore the NLO properties. ROYAL SOCIETY OPEN SCIENCE, v. 8, n. 8, . (14/25770-6, 15/01491-3)
BUENO, MARCO A.; MOURA, REBECA G.; FRANCO, MAURICIO; BRAGA, ATAUALPA A. C.; DI VITTA, CLAUDIO; MARZORATI, LILIANA. A new piperazine: Spectroscopic and theoretical conformational studies. Journal of Molecular Structure, v. 1203, . (15/01491-3, 14/25770-6)
POLO, ELLEN CHRISTINE; WANG, MARTI FERNANDEZ; ANGNES, RICARDO ALMIR; BRAGA, ATAUALPA A. C.; DUARTE CORREIA, CARLOS ROQUE. Enantioselective Heck Arylation of Acyclic Alkenol Aryl Ethers: Synthetic Applications and DFT Investigation of the Stereoselectivity. ADVANCED SYNTHESIS & CATALYSIS, v. 362, n. 4, . (19/02052-4, 14/25770-6, 13/07600-3, 15/01491-3, 17/21494-2)
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