Crystallography
Mostrando 1-12 de 441 artigos, teses e dissertações.
-
1. Absolute Configuration Reassignment of Natural Products: An Overview of the Last Decade
The assignment of absolute configuration (AC) is a crucial step in the structural characterization of natural products, especially for those subjected to biological assays. Methods such as X-ray crystallography, stereocontrolled organic synthesis, nuclear magnetic resonance (NMR), and chiroptical spectroscopies are commonly used to determine the AC of chiral
J. Braz. Chem. Soc.. Publicado em: 2021-08
-
2. Effects of Polycyclic Aromatic Hydrocarbon Pendant-Armed Ligands on the Catecholase Activity of Dinuclear Copper(II) Complexes
Herein, we present three new binuclear copper(II) complexes containing different polycyclic aromatic hydrocarbons, able to catalyze the oxidation of 3,5-di-tert-butylcathecol, a model substrate for catechol oxidase. The ligands and complexes were successful characterized in solid and solution states. The structure of C1 was determined by X-ray crystallograph
J. Braz. Chem. Soc.. Publicado em: 2021-05
-
3. Absolute Configuration of (−)-Cubebin, a Classical Lignan with Pharmacological Potential, Defined by Means of Chiroptical Spectroscopy
This work describes the first determination of the absolute configuration (AC) of (−)-cubebin by means of electronic circular dichroism (ECD), supported by quantum chemical calculations. The comparison of experimental ECD with the corresponding quantum chemical prediction for the proper diastereoisomer resulted in the definitive assignment of the AC of the
J. Braz. Chem. Soc.. Publicado em: 2020-10
-
4. Should kidney transplants during the COVID-19 pandemic be canceled or maintained?
The preparation, characterization, theoretical calculations and biological application of four RuII complexes with 2-picolinate (pic), 2,2’-bipyridine (bipy) and P-P as ligands [P-P = 1,1-bis(diphenylphosphino)methane (dppm-1), 1,2-bis(diphenylphosphino)ethane (dppe-2), 1,3-bis(diphenylphosphino)propane (dppp-3) or 1,1’-bis(diphenylphosphino)ferrocene (d
Rev. Assoc. Med. Bras.. Publicado em: 2020-07
-
5. New Heteroleptic RuII/Diphosphine Complexes with Cytotoxicity against Human Breast and Murine Ascitic Sarcoma 180 Tumor Cells
The preparation, characterization, theoretical calculations and biological application of four RuII complexes with 2-picolinate (pic), 2,2’-bipyridine (bipy) and P-P as ligands [P-P = 1,1-bis(diphenylphosphino)methane (dppm-1), 1,2-bis(diphenylphosphino)ethane (dppe-2), 1,3-bis(diphenylphosphino)propane (dppp-3) or 1,1’-bis(diphenylphosphino)ferrocene (d
J. Braz. Chem. Soc.. Publicado em: 2020-07
-
6. New Allyldithiocarbimates: Synthesis, Structure and Antifungal Activity against Phakopsora pachyrhizi and Hemileia vastatrix
Twelve tetraphenylphosphonium allyldithiocarbimates were synthesized and fully characterized by high-resolution electrospray ionization mass spectrometry (HR-ESI-MS), infrared and nuclear magnetic resonance (NMR) spectroscopies. The spectroscopic data indicated that the allyldithiocarbimate anions present Z configuration, as confirmed by X-ray crystallograph
J. Braz. Chem. Soc.. Publicado em: 2020-04
-
7. Zika virus proteins at an atomic scale: how does structural biology help us to understand and develop vaccines and drugs against Zika virus infection?
Abstract In Brazil and in other tropical areas Zika virus infection was directly associated with clinical complications as microcephaly in newborn children whose mothers were infected during pregnancy and the Guillain-Barré syndrome in adults. Recently, research has been focused on developing new vaccines and drug candidates against Zika virus infection sin
J. Venom. Anim. Toxins incl. Trop. Dis. Publicado em: 29/08/2019
-
8. Mixed Ternary Mononuclear Copper(II) Complexes Based on Valproic Acid with 1,10-Phenanthroline and 2,2'-Bipyridine Ligands: DNA Interaction and Cytotoxicity in V79 Cells
This paper reports the DNA interaction and cytotoxicity of binary and ternary copper(II) complexes of valproic acid with phenanthroline or bipyridine and the complementary characterization of Cu(Valp)2Bipy by crystallography. Circular dichroism, plasmid and oligonucleotide assays have shown that the complexes interact with DNA in different manners and are ab
J. Braz. Chem. Soc.. Publicado em: 2019-03
-
9. Structure/Activity of PtII/N,N-Disubstituted-N'-acylthiourea Complexes: Anti-Tumor and Anti-Mycobacterium tuberculosis Activities
The syntheses, characterization, cytotoxicity against tumor cells and anti-Mycobacterium tuberculosis activity assays of PtII/PPh3/N,N-disubstituted-N'-acylthioureas complexes with general formulae [Pt(PPh3)2(L)]PF6, PPh3 = triphenylphosphine; L = N,N-disubstituted-N'-acylthiourea, are here reported. The complexes were characterized by elemental analysis, mo
J. Braz. Chem. Soc.. Publicado em: 2018-06
-
10. Synthesis and evaluation of coumarin derivatives against human lung cancer cell lines
Series of novel coumarin derivatives [I (a–d) and II (a–d)] were successfully synthesized and their structures were determined based on infrared 1H-nuclear magnetic resonance (NMR), HRMS, and single crystal X-ray crystallography. Additionally, the new synthesized compounds were evaluated to identify the molecular characteristics that contribute to their
Braz J Med Biol Res. Publicado em: 12/09/2017
-
11. Highlights in the knowledge of brown spider toxins
Abstract Brown spiders are venomous arthropods that use their venom for predation and defense. In humans, bites of these animals provoke injuries including dermonecrosis with gravitational spread of lesions, hematological abnormalities and impaired renal function. The signs and symptoms observed following a brown spider bite are called loxoscelism. Brown spi
J. Venom. Anim. Toxins incl. Trop. Dis. Publicado em: 16/03/2017
-
12. Anti-Mycobacterium tuberculosis and Cytotoxicity Activities of Ruthenium(II)/ Bipyridine/Diphosphine/Pyrimidine-2-thiolate Complexes: The Role of the Non- Coordinated N-Atom
The [Ru(Spym)(bipy)(P–P)]PF6, [Spym = pyrimidine-2-thiolate anion; P–P = 1,2-bis(diphenylphosphino)ethane, 1,3-bis(diphenylphosphino)propane and 1,1'-bis(diphenylphosphino)ferrocene] complexes were synthesized and characterized by spectroscopic, electrochemical and elemental analysis, and by X-ray crystallography. The minimal inhibitory concentration (MI
J. Braz. Chem. Soc.. Publicado em: 2016-01