Browsing CIQUS-Artigos by Title
Now showing items 96-115 of 378
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Electronic Degeneracy and Intrinsic Magnetic Properties of Epitaxial Nb : SrTiO3 Thin Films Controlled by Defects
(APS Physics, 2015)We report thermoelectric power experiments in e-doped thin films of SrTiO3 (STO) which demonstrate that the electronic band degeneracy can be lifted through defect management during growth. We show that even small amounts ... -
Enantioenriched alpha-Vinyl 1,4-Benzodiazepines and 1,4-Benzoxazepines via Enantioselective Rhodium-Catalyzed Hydrofunctionalizations of Alkynes and Allenes
(American Chemical Society, 2021)Benzofused seven-membered heterocycles such as 1,4-benzo[e]diazepines (1,4-BZDs) and 1,4-benzo[e]oxazepines (1,4-BZOs) were efficiently synthesized by Rh-catalyzed hydrofunctionalization of internal alkynes and allenes in ... -
Enantioselective Annulation Reactions of Bisenolates Prepared Through Dearomatization Reactions of Aromatic and Heteroaromatic Diesters
(Wiley, 2012)A one‐pot, enantioselective strategy for the dearomatization–annulation of aromatic diesters to give a range of highly functionalized polycyclic molecules with excellent enantioselectivity is presented. This methodology ... -
Enantioselective Palladium-Catalyzed [3C + 2C] and [4C + 3C] Intramolecular Cycloadditions of Alkylidenecyclopropanes
(American Chemical Society, 2018-06-04)We report a highly enantioselective [3C + 2C] intramolecular cycloaddition of alkylidenecyclopropanes (ACPs) and alkenes. The best results are obtained by using sterically demanding chiral phosphoramidite ligands derived ... -
Enhanced Terahertz Radiation Generation of Photoconductive Antennas Based on Manganese Ferrite Nanoparticles
(Springer Nature, 2017)This paper presents a significant effect of manganese ferrite nanoparticles (MnFe2O4 NPs) on the increase of the surface photoconductivity of semiconductors. Herein, the optical characterization of photo-excited carriers ... -
Entanglement and co-tunneling of two equivalent protons in hydrogen bond pairs
(AIP Publishing, 2018)A theoretical study is reported of a system of two identical symmetric hydrogen bonds, weakly coupled such that the two mobile protons can move either separately (stepwise) or together (concerted). It is modeled by two ... -
Epitaxial stabilization of pulsed laser deposited Srn+1IrnO3n+1 thin films: Entangled effect of growth dynamics and strain
(AIP Publishing, 2018)The subtle balance of electronic correlations, crystal field splitting, and spin–orbit coupling in layered Ir4+ oxides can give rise to novel electronic and magnetic phases. Experimental progress in this field relies on ... -
Equilibrium constants and protonation site for N-methylbenzenesulfonamides
(Beilstein Institute, 2011)The protonation equilibria of four substituted N-methylbenzenesulfonamides, X-MBS: X = 4-MeO (3a), 4-Me (3b), 4-Cl (3c) and 4-NO2 (3d), in aqueous sulfuric acid were studied at 25 °C by UV–vis spectroscopy. As expected, ... -
Excited-State Proton and Charge Transfer in Protonated Amino and Methylated Derivatives of 2-(2′-Hydroxyphenyl)benzimidazole
(American Chemical Society, 2015)We studied the excited-state behavior of a family of mono- and diprotonated derivatives of 2-phenylbenzimidazole in different solvents, using steady-state and time-resolved fluorescence spectroscopy. The species investigated ... -
Exploring a route to cyclic acenes by on-surface synthesis
(Willey, 2019)A route to generate cyclacenes by on-surface synthesis is explored. We started by synthesizing two tetraepoxycyclacenes by sequences of Diels–Alder cycloadditions. Subsequently, these molecules were deposited onto ... -
Exploring the efficiency of gallic acid-based dendrimers and their block copolymers with PEG as gene carriers
(Future Science, 2012-07-20)The synthesis of a new family of amino-functionalized gallic acid-triethylene glycol (GATG) dendrimers and their block copolymers with polyethylene glycol (PEG) has recently being disclosed. In addition, these dendrimers ... -
Exploring the Water-Binding Pocket of the Type II Dehydroquinase Enzyme in the Structure-Based Design of Inhibitors
(American Chemical Society, 2014)Structural and computational studies to explore the WAT1 binding pocket in the structure-based design of inhibitors against the type II dehydroquinase (DHQ2) enzyme are reported. The crystal structures of DHQ2 from M. ... -
Fast NMR Screening of Macromolecular Complexes by a Paramagnetic Spin Relaxation Filter
(American Chemical Society, 2018-03-12)The paramagnetic spin relaxation filter is described for the rapid NMR screening of intermolecular interactions between ligands and macromolecular anionic receptors with large transverse relaxation enhancements (R2p). The ... -
Ferroelectric Domain Walls in PbTiO3 Are Effective Regulators of Heat Flow at Room Temperature
(American Chemical Society, 2019)Achieving efficient spatial modulation of phonon transmission is an essential step on the path to phononic circuits using “phonon currents”. With their intrinsic and reconfigurable interfaces, domain walls (DWs), ferroelectrics ... -
Fluorescence quenching of the N-methylquinolinium cation by pairs of water or alcohol molecules
(2018)N-Methylquinolinium cation (MQ+) in its first-excited singlet state is a strong oxidant commonly used as a photosensitizer, whose fluorescence is therefore quenched by electron donors. Interestingly, the fluorescence of ... -
Fluorescence-Labeled Bis-benzamidines as Fluorogenic DNA Minor-Groove Binders: Photophysics and Binding Dynamics
(WILEY-VCH Verlag GmbH, 2014-11-21)In recent decades there has been great interest in the design of highly sensitive sequence-specific DNA binders. The eligibility of the binder depends on the magnitude of the fluorescence increase upon binding, related to ... -
A Folding-Based Approach for the Luminescent Detection of a Short RNA Hairpin
(American Chemical Society, 2013)We report the rational design of a 20-mer basic peptide, derived from the transcriptional antitermination protein N of bacteriophage P22, equipped with a luminescent DOTA[Tb3+] macrocyclic complex and a sensitizing tryptophan ... -
Formation of Indoles, Dihydroisoquinolines and Dihydroquinolines by Ruthenium-Catalyzed Heterocyclizations
(Thieme, 2012)Indoles, dihydroisoquinolines and dihydroquinolines were efficiently prepared by ruthenium-catalyzed heterocyclizations of aromatic homo- and bis-homopropargyl amines/amides in the presence of an amine/ammonium base-acid ... -
Free-energy calculations for bioisosteric modifications of A3 adenosine receptor antagonists
(MDPI, 2019)Adenosine receptors are a family of G protein-coupled receptors with increased attention as drug targets on different indications. We investigate the thermodynamics of ligand binding to the A3 adenosine receptor subtype, ... -
Freezing the Dynamic Gap for Selectivity: Motion‐Based Design of Inhibitors of the Shikimate Kinase Enzyme
(Wiley, 2016-10-04)Shikimate kinase (SK), the fifth enzyme of the aromatic amino acid biosynthesis, is a recognized target for antibiotic drug discovery. The potential of the distinct dynamic apolar gap, which isolates the natural substrate ...