Publicações científicas
(70)
(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)
PASHA, ANAM RUBBAB;
KHALID, MUHAMMAD;
SHAFIQ, ZAHID;
KHAN, MUHAMMAD USMAN;
NASEER, MUHAMMAD MOAZZAM;
TAHIR, MUHAMMAD NAWAZ;
HUSSAIN, RIAZ;
BRAGA, ATAUALPA ALBERT CARMO;
JAWARIA, RIFAT.
A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach.
Journal of Molecular Structure,
v. 1230,
APR 15 2021.
Citações Web of Science: 0.
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,
MAR 7 2021.
Citações Web of Science: 1.
COUTO, ROSA A. S.;
COELHO, CONSTANTINO;
MOUNSSEF, JR., BASSIM;
MORAIS, SARA F. DE A.;
LIMA, CAMILA D.;
DOS SANTOS, WALLANS T. P.;
CARVALHO, FELIX;
RODRIGUES, CECILIA M. P.;
BRAGA, ATAUALPA A. C.;
GONCALVES, LUIS MOREIRA;
BEATRIZ QUINAZ, M.
3,4-Methylenedioxypyrovalerone (MDPV) Sensing Based on Electropolymerized Molecularly Imprinted Polymers on Silver Nanoparticles and Carboxylated Multi-Walled Carbon Nanotubes.
NANOMATERIALS,
v. 11,
n. 2
FEB 2021.
Citações Web of Science: 0.
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,
JAN 15 2021.
Citações Web of Science: 0.
BASRI, RABIA;
KHALID, MUHAMMAD;
SHAFIQ, ZAHID;
TAHIR, MUHAMMAD SULEMAN;
KHAN, MUHAMMAD USMAN;
TAHIR, MUHAMMAD NAWAZ;
NASEER, MUHAMMAD MOAZZAM;
CARMO BRAGA, ATAUALPA ALBERT.
Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis.
ACS OMEGA,
v. 5,
n. 46,
p. 30176-30188,
NOV 24 2020.
Citações Web of Science: 1.
SOARES-PAULINO, ANTONIO A.;
GIROLDO, LILIAN;
PRADIE, NORIBERTO A.;
REIS, JOEL S.;
BACK, DAVI F.;
BRAGA, ATAUALPA A. C.;
STEFANI, HELIO A.;
LODEIRO, CARLOS;
DOS SANTOS, ALCINDO A.
Nanomolar Detection of Palladium (II) through a Novel Seleno-Rhodamine-based fluorescent and colorimetric chemosensor.
DYES AND PIGMENTS,
v. 179,
AUG 2020.
Citações Web of Science: 0.
COUTO, ROSA A. S.;
MOUNSSEF JR, BASSIM;
CARVALHO, FELIX;
RODRIGUES, CECILIA M. P.;
BRAGA, ATAUALPA A. C.;
ALDOUS, LEIGH;
GONCALVES, LUIS MOREIRA;
QUINAZ, M. BEATRIZ.
Methylone screening with electropolymerized molecularly imprinted polymer on screen-printed electrodes.
SENSORS AND ACTUATORS B-CHEMICAL,
v. 316,
JUL 15 2020.
Citações Web of Science: 0.
ALI, AKBAR;
KHALID, MUHAMMAD;
REHMAN, MUHAMMAD FAYYAZ UR;
HAQ, SADIA;
ALI, ARIF;
TAHIR, MUHAMMAD NAWAZ;
ASHFAQ, MUHAMMAD;
RASOOL, FAIZ;
BRAGA, ATAUALPA ALBERT CARMO.
Efficient Synthesis, SC-XRD, and Theoretical Studies of O-Benzenesulfonylated Pyrimidines: Role of Noncovalent Interaction Influence in Their Supramolecular Network.
ACS OMEGA,
v. 5,
n. 25,
p. 15115-15128,
JUN 30 2020.
Citações Web of Science: 2.
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,
MAY 5 2020.
Citações Web of Science: 8.
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,
APR 5 2020.
Citações Web of Science: 5.
TARIQ, SOBIA;
RAZA, ABDUL RAUF;
KHALID, MUHAMMAD;
RUBAB, SYEDA LAILA;
KHAN, MUHAMMAD USMAN;
ALI, AKBAR;
TAHIR, MUHAMMAD NAWAZ;
BRAGA, ATAUALPA ALBERT CARMO.
Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies.
Journal of Molecular Structure,
v. 1203,
MAR 5 2020.
Citações Web of Science: 9.
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,
NOV 1 2019.
Citações Web of Science: 0.
ASHRAF, ABIDA;
KHALID, MUHAMMAD;
TAHIR, MUHAMMAD NAWAZ;
YAQUB, MUHAMMAD;
NASEER, MUHAMMAD MOAZZAM;
KAMAL, GHULAM MUSTAFA;
SAIFULLAH, BULLO;
BRAGA, ATAUALPA ALBERT CARMO;
SHAFIQ, ZAHID;
RAUF, WAQAR.
A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration.
RSC ADVANCES,
v. 9,
n. 59,
p. 34567-34580,
OCT 27 2019.
Citações Web of Science: 1.
KHAN, MUHAMMAD USMAN;
IQBAL, JAVED;
KHALID, MUHAMMAD;
HUSSAIN, RIAZ;
CARMO BRAGA, ATAUALPA ALBERT;
HUSSAIN, MUNAWAR;
MUHAMMAD, SHABBIR.
Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells.
RSC ADVANCES,
v. 9,
n. 45,
p. 26402-26418,
AUG 22 2019.
Citações Web of Science: 5.
RAFIQ, MUHAMMAD;
KHALID, MUHAMMAD;
TAHIR, MUHAMMAD NAWAZ;
AHMAD, MUHAMMAD UMAIR;
KHAN, MUHAMMAD USMAN;
NASEER, MUHAMMAD MOAZZAM;
CARMO BRAGA, ATAUALPA ALBERT;
MUHAMMAD, SHABBIR;
SHAFIQ, ZAHID.
Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: A synergistic experimental-computational analysis.
Applied Organometallic Chemistry,
v. 33,
n. 11
AUG 2019.
Citações Web of Science: 14.
COUTO, ROSA A. S.;
COSTA, SEFORA S.;
MOUNSSEF JR, BASSIM;
PACHECO, JOAO G.;
FERNANDES, EDUARDA;
CARVALHO, FELIX;
RODRIGUES, CECILIA M. P.;
DELERUE-MATOS, CRISTINA;
BRAGA, ATAUALPA A. C.;
GONCALVES, LUIS MOREIRA;
QUINAZ, M. BEATRIZ.
Electrochemical sensing of ecstasy with electropolymerized molecularly imprinted poly(o-phenylenediamine) polymer on the surface of disposable screen-printed carbon electrodes.
SENSORS AND ACTUATORS B-CHEMICAL,
v. 290,
p. 378-386,
JUL 1 2019.
Citações Web of Science: 2.
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,
JUL 2019.
Citações Web of Science: 11.
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,
MAY 8 2019.
Citações Web of Science: 0.
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,
MAR 2019.
Citações Web of Science: 8.
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,
FEB 24 2019.
Citações Web of Science: 22.
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,
FEB 2019.
Citações Web of Science: 2.
ANGNES, RICARDO A.;
THOMPSON, LEE M.;
MASHUTA, MARK S.;
CORREIA, CARLOS R. D.;
HAMMOND, GERALD B.
Non-Covalent Substrate Directed Enantioselective Heck Desymmetrization of cis-Cyclohex-4-ene-1,2-diol: Synthesis of all cis Chiral 5-Aryl-cyclohex-3-ene-1,2-diols and Mechanistic Investigation.
ADVANCED SYNTHESIS & CATALYSIS,
v. 360,
n. 19,
p. 3760-3767,
OCT 4 2018.
Citações Web of Science: 5.
ALONSO, ISABELLA G.;
YAMANE, LAIS T.;
DE FREITAS-BLANCO, VERONICA S.;
NOVAES, LUIZ F. T.;
FRANZ-MONTAN, MICHELLE;
DE PAULA, ENEIDA;
RODRIGUES, MARILI V. N.;
RODRIGUES, RODNEY A. F.;
PASTRE, JULIO C.
A new approach for the total synthesis of spilanthol and analogue with improved anesthetic activity.
Tetrahedron,
v. 74,
n. 38,
p. 5192-5199,
SEP 20 2018.
Citações Web of Science: 0.
SUMRRA, SAJJAD HUSSAIN;
ATIF, AFTAB HUSSAIN;
ZAFAR, MUHAMMAD NAVEED;
KHALID, MUHAMMAD;
TAHIR, MUHAMMAD NAWAZ;
NAZAR, MUHAMMAD FAIZAN;
NADEEM, MUHAMMAD ARIF;
BRAGA, ATAUALPA A. C.
Synthesis, crystal structure, spectral and DFT studies of potent isatin derived metal complexes.
Journal of Molecular Structure,
v. 1166,
p. 110-120,
AUG 15 2018.
Citações Web of Science: 7.
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,
AUG 9 2018.
Citações Web of Science: 11.
CAMPOS AGUIAR, ANNA CAROLINE;
PANCIERA, MICHELE;
SIMAO DOS SANTOS, ERIC FRANCISCO;
SINGH, MANEESH KUMAR;
GARCIA, MARIANA LOPES;
DE SOUZA, GUILHERME EDUARDO;
NAKABASHI, MYNA;
COSTA, JOSE LUIZ;
GARCIA, CELIA R. S.;
OLIVA, GLAUCIUS;
DUARTE CORREIA, CARLOS ROQUE;
CARVALHO GUIDO, RAFAEL VICTORIO.
Discovery of Marinoquinolines as Potent and Fast-Acting Plasmodium falciparum Inhibitors with in Vivo Activity.
Journal of Medicinal Chemistry,
v. 61,
n. 13,
p. 5547-5568,
JUL 12 2018.
Citações Web of Science: 7.
SHAHID, MUHAMMAD;
SALIM, MUHAMMAD;
KHALID, MUHAMMAD;
TAHIR, MUHAMMAD NAWAZ;
KHAN, MUHAMMAD USMAN;
CARMO BRAGA, ATAUALPA ALBERT.
Synthetic, XRD, non-covalent interactions and solvent dependent nonlinear optical studies of Sulfadiazine-Ortho-Vanillin Schiff base: (E)-4-((2-hydroxy-3-methoxy-benzylidene) amino)-N-(pyrimidin-2-yl)benzene-sulfonamide.
Journal of Molecular Structure,
v. 1161,
p. 66-75,
JUN 5 2018.
Citações Web of Science: 20.
DA SILVA, MARIA ROSANA E.;
AUVRAY, THOMAS;
LARAMEE-MILETTE, BAPTISTE;
FRANCO, MAURICIO P.;
BRAGA, ATAUALPA A. C.;
TOMA, HENRIQUE E.;
HANAN, GARRY S.
Unusual Photooxidation of S-Bonded Mercaptopyridine in a Mixed Ligand Ruthenium(II) Complex with Terpyridine and Bipyridine Ligands.
Inorganic Chemistry,
v. 57,
n. 9,
p. 4898-4905,
MAY 7 2018.
Citações Web of Science: 4.
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,
APR 2018.
Citações Web of Science: 16.
DE SOUZA, JULIANA M.;
GALAVERNA, RENAN;
DE SOUZA, ALINE A. N.;
BROCKSOM, TIMOTHY J.;
PASTRE, JULIO C.;
DE SOUZA, RODRIGO O. M. A.;
DE OLIVEIRA, KLEBER T.
Impact of continuous flow chemistry in the synthesis of natural products and active pharmaceutical ingredients.
Anais da Academia Brasileira de Ciências,
v. 90,
n. 2,
p. 1131-1174,
2018.
Citações Web of Science: 8.
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,
DEC 5 2017.
Citações Web of Science: 0.
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,
DEC 2017.
Citações Web of Science: 4.
HO, NGA KIM T.;
NEUMANN, BEATE;
STAMMLER, HANS-GEORG;
MENEZES DA SILVA, VITOR H.;
WATANABE, DANIEL G.;
BRAGA, ATAUALPA A. C.;
GHADWAL, RAJENDRA S.
Nickel-catalysed direct C2-arylation of N-heterocyclic carbenes.
DALTON TRANSACTIONS,
v. 46,
n. 36,
p. 12027-12031,
SEP 28 2017.
Citações Web of Science: 11.
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,
SEP 5 2017.
Citações Web of Science: 23.
ARSHAD, MUHAMMAD NADEEM;
AL-DIES, AL-ANOOD M.;
ASIRI, ABDULLAH M.;
KHALID, MUHAMMAD;
BIRINJI, ABDULHADI SALIH;
AL-AMRY, KHALID A.;
BRAGA, ATAUALPA A. C.
Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: A combined experimental and theoretical study.
Journal of Molecular Structure,
v. 1141,
p. 142-156,
AUG 5 2017.
Citações Web of Science: 31.