Architecture of Molecular Logic Gates: From Design to Application as Optical Detection Devices

Three decades after A. P. de Silva’s seminal paper introduced the concept of logic gates at the molecular level, the field of molecular logic gates (MLGs) has witnessed significant advancements. MLGs are devices designed to perform logical operations, utilizing one or more physical or chemical stimulus signals (inputs) to generate an output response. Notably, MLGs have found diverse applications, with optical detection of analytes emerging as a notable evolution of traditional chemosensors. Organic synthesis methods are pivotal in crafting molecular architectures tailored as optical devices capable of analyte detection through logical functions. This review delves into the fundamental aspects and physical–chemical properties of MLGs, with a particular emphasis on synthetic strategies driving their design

Ruthenium-catalyzed C–H oxygenation of quinones by weak O-coordination for potent trypanocidal agents

Submitted by Sandra Infurna ([email protected]) on 2019-02-09T13:24:00Z No. of bitstreams: 1 RubemFSM_barreto_etal_IOC_2018.pdf: 2549826 bytes, checksum: 7962607a31b8b7006873af808f7f37b0 (MD5)Approved for entry into archive by Sandra Infurna ([email protected]) on 2019-02-09T13:34:07Z (GMT) No. of bitstreams: 1 RubemFSM_barreto_etal_IOC_2018.pdf: 2549826 bytes, checksum: 7962607a31b8b7006873af808f7f37b0 (MD5)Made available in DSpace on 2019-02-09T13:34:07Z (GMT). No. of bitstreams: 1 RubemFSM_barreto_etal_IOC_2018.pdf: 2549826 bytes, checksum: 7962607a31b8b7006873af808f7f37b0 (MD5) Previous issue date: 2018Universidade Federal de Minas Gerais. Institutode Ciências Exatas. Departamento de Química. Belo Horizonte, MG, Brasil / Georg-August-Universität. Institut für Organische und Biomolekulare Chemie. Göttingen, Germany.Georg-August-Universität. Institut für Organische und Biomolekulare Chemie. Göttingen, Germany.Georg-August-Universität. Institut für Organische und Biomolekulare Chemie. Göttingen, Germany.University of Saarland. School of Pharmacy. Division of Bioorganic Chemistry. Saarbrücken, Germany.Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Rio de Janeiro, RJ, Brasil.Universidade Federal de Minas Gerais. Institutode Ciências Exatas. Departamento de Química. Belo Horizonte, MG, Brasil.Georg-August-Universität. Institut für Organische und Biomolekulare Chemie. Göttingen, Germany

Rhodium(III)-Catalyzed C–H/N–H Alkyne Annulation of Non-Symmetric 2-Aryl-(Benz)Imidazole Derivatives: Photophysical and Mechanistic Insights

Rhodium(III) catalysis enabled C–H/N–H alkyne annulation of nonsymmetric imidazole derivatives. This study encompasses the synthesis of imidazoles from a naturally occurring quinoidal compound and their use for the preparation of rigid π-extended imidazole derivatives with outstanding fluorescence. Our study also brings to light the photophysical aspects and the mechanism of the reaction studied via computational calculations. This method provided an efficient and versatile tool for the synthesis of fluorescent compounds with a wide range of chemical and biological applications

Ruthenium(II)-Catalyzed C–H/N–H Alkyne Annulation of Nonsymmetric Imidazoles: Mechanistic Insights by Computation and Photophysical Properties

Imidazoles constitute an important class of heterocyclic compounds with extensive potential use, from pharmaceuticals to optoelectronics. However, synthetic methodologies capable of producing novel nonsymmetric imidazoles are still scarce. In a combined synthesis, photophysical and computational investigation, we show that ruthenium(II) catalysis enables C−H/N−H alkyne annulation of nonsymmetric imidazoles derived from naturally occuring β-lapachone and nor-β-lapachone. This method provides an efficient and versatile tool for synthesizing fluorescent compounds with a broad application range

1,3-Azoles from ortho-naphthoquinones: Synthesis of aryl substituted imidazoles and oxazoles and their potent activity against Mycobacterium tuberculosis

Twenty-three naphthoimidazoles and six naphthoxazoles were synthesised and evaluated against susceptible and rifampicin- and isoniazid-resistant strains of Mycobacterium tuberculosis. Among all the compounds evaluated, fourteen presented MIC values in the range of 0.78 to 6.25 mu g/mL against susceptible and resistant strains of M. tuberculosis, Five structures were solved by X-ray crystallographic analysis. These substances are promising antimycobacterial prototypes. (C) 2012 Elsevier Ltd. All rights reserved.National Research Council of Brazil (CNPq)CNPq (National Council of Research of Brazil)CAPESCAPESUFALUFALUFRJUFRJFURGFURGUFMGUFMGPrograma Institucional de Auxilio a Pesquisa de Doutores Recem-Contratados-UFMG [08/2010]Programa Institucional de Auxilio a Pesquisa de Doutores RecemContratadosUFMGUniversidade Federal de Minas GeraisUniversidade Federal de Minas Gerais [PRPq-12/2011]FAPEMIG [APQ-04166-10]FAPEMI

Encapsulation of nor-β-lapachone into poly( d , l )-lactide-co-glycolide (PLGA) microcapsules: full characterization, computational details and cytotoxic activity against human cancer cell lines

In this work, we characterize nor-β-lapachone-loaded (NβL-loaded) microcapsules prepared using an emulsification/solvent extraction technique. Features such as surface morphology, particle size distribution, zeta potential, optical absorption, Raman and Fourier transform infrared spectra, thermal analysis data, drug encapsulation efficiency, drug release kinetics and in vitro cytotoxicity were studied. Spherical microcapsules with a size of 1.03 ± 0.46 μm were produced with an encapsulation efficiency of approximately 19%. Quantum DFT calculations were also performed to estimate typical interaction energies between a single nor-β-lapachone molecule and the surface of the microparticles. The NβL-loaded PLGA microcapsules exhibited a pronounced initial burst release. After the in vitro treatment with NβL-loaded microcapsules, a clear phagocytosis of the spheres was observed in a few minutes. The cytotoxic activity against a set of cancer cell lines was investigated

Controlled Release of Nor-β-lapachone by PLGA Microparticles: A Strategy for Improving Cytotoxicity against Prostate Cancer Cells

Prostate cancer is one of the most common malignant tumors in males and it has become a major worldwide public health problem. This study characterizes the encapsulation of Nor-β-lapachone (NβL) in poly(d,l-lactide-co-glycolide) (PLGA) microcapsules and evaluates the cytotoxicity of the resulting drug-loaded system against metastatic prostate cancer cells. The microcapsules presented appropriate morphological features and the presence of drug molecules in the microcapsules was confirmed by different methods. Spherical microcapsules with a size range of 1.03 ± 0.46 μm were produced with an encapsulation efficiency of approximately 19%. Classical molecular dynamics calculations provided an estimate of the typical adsorption energies of NβL on PLGA. Finally, the cytotoxic activity of NβL against PC3M human prostate cancer cells was demonstrated to be significantly enhanced when delivered by PLGA microcapsules in comparison with the free drug