Publications by authors named "Lygia S de Moraes"

Article Synopsis
  • Microcrystal electron diffraction (microED) is a new technique for quickly analyzing small molecule crystals, particularly useful in pharmaceuticals.
  • In a study involving 30 samples from Amgen Inc., researchers successfully determined the structures of 15 crystals using just 40 hours of microscope time.
  • All chiral compounds analyzed had their absolute stereochemistry correctly assigned through dynamic refinement, showcasing the effectiveness of dynamic refinement in determining stereochemistry for pharmaceutical compounds.
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The development of architecturally unique molecular nanocarbons by bottom-up organic synthesis is essential for accessing functional organic materials awaiting technological developments in fields such as energy, electronics, and biomedicine. Herein, we describe the design and synthesis of a triptycene-based three-dimensional (3D) nanocarbon, , with geometrical flexibility on account of its three peripheral π-panels being capable of interconverting between two curved conformations. An effective through-space electronic communication among the three π-panels of has been observed in its monocationic radical form, which exhibits an extensively delocalized spin density over the entire 3D π-system as revealed by electron paramagnetic resonance and UV-vis-NIR spectroscopies.

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Pyridoxal 5'-phosphate (PLP)-dependent enzymes are the most versatile biocatalysts for synthesizing nonproteinogenic amino acids. α,α-Disubstituted quaternary amino acids, such as 1-aminocyclopentane-1-carboxylic acid (cycloleucine), are useful building blocks for pharmaceuticals. In this study, starting with the biosynthesis of fusarilin A, we discovered a family of PLP-dependent enzymes that can facilitate tandem carbon-carbon forming steps to catalyze an overall [3 + 2]-annulation.

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Controlled modulation of electronic and magnetic properties in stimuli-responsive materials provides valuable insights for the design of magnetoelectric or multiferroic devices. This paper demonstrates the modulation of electrical and magnetic properties of a semiconductive, paramagnetic metal-organic framework (MOF) Cu(CO) with small gaseous molecules, NH, HS, and NO. This study merges chemiresistive and magnetic tests to reveal that the MOF undergoes simultaneous changes in electrical conductance and magnetization that are uniquely modulated by each gas.

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The structural determination of natural products (NPs) can be arduous because of sample heterogeneity. This often demands iterative purification processes and characterization of complex molecules that may be available only in miniscule quantities. Microcrystal electron diffraction (microED) has recently shown promise as a method to solve crystal structures of NPs from nanogram quantities of analyte.

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Sixteen geosterane derivatives were synthesized in up to 57 % overall yields in four steps harnessing the olefin cross-metathesis (OCM) and Metal hydride H atom transfer (MHAT) or homogeneous hydrogenation reactions as key steps. Drawing on this strategy, the diastereomeric ratio (d. r.

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The structures of three monohydrated halide salt forms of l-asparagine are presented, l-asparaginium chloride monohydrate, CHNO ·Cl·HO, (I), l-asparaginium bromide monohydrate, CHNO ·Br·HO, (II), and l-asparaginium iodide monohydrate, CHNO ·I·HO, (III). These form an isomorphous and isostructural series. The C-C-C-C backbone of the amino acid adopts a conformation in each case [torsion angles for (I), (II) and (III) = -55.

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