The supramolecular attitude of metal-salophen and metal-salen complexes

In this review we cover some aspects of metal-salophen and metal-salen complex chemistry related to their supramolecular attitude. We examined under the lens of the non-covalent interactions their potential to behave as building blocks for auto-assembled architectures, supramolecular receptors and catalysts, although this last point has been only briefly mentioned

Confiança interpessoal : uma abordagem através de global games

A confiança interpessoal é a solução encontrada pelos indivíduos para facilitar comportamentos cooperativos. Ela permite que as transações econômicas ocorram com maior facilidade e está positivamente correlacionada com o desenvolvimento econômico de uma sociedade. O objetivo deste trabalho é introduzir um modelo de Global Games em uma situação na qual os jogadores precisam decidir se confiam ou não no outro jogador num investimento. Primeiramente é investigada na literatura econômica como se estabelece a confiança entre os indivíduos, sua relação com o desenvolvimento econômico e os incentivos econômicos e não econômicos que podem afetar o nível de confiança. Num segundo momento é apresentado Global Games e sua utilidade para selecionar equilíbrios em situações de informação incompleta e multiplicidade de equilíbrios. Por fim, é apresentado um modelo de Global Games simulando uma situação de confiança entre os jogadores. Os resultados do modelo são que quanto maior o investimento , maior a probabilidade de equilíbrio com confiança; quanto maior o produto , maior a probabilidade de equilíbrio com desconfiança; e que em situações de desconfiança, um aumento do ruído (representado pela variância) resulta em maior probabilidade de desconfiança.Interpersonal trust is the solution found by individuals to facilitate cooperative behavior. It allows economic transactions to occur more easily and is positively correlated with the economic development of a society. This paper’s objective is to introduce a Global Games model in a situation where the players must decide whether or not to trust other players in an investment. First, it is investigated in the economic literature how trust is established between individuals, its relationship with economic development and the economic and non-economic incentives that may affect the trust level. Secondly, Global Games and its utility to select equilibrium in situations of incomplete information and multiplicity of equilibria are presented. Finally, a Global Games model simulating a situation of trust between players is presented. The results of the model are that a higher investment leads to a greater probability of a trust equilibrium; when the product increases, the probability of a distrust equilibrium also increases; and in situations of distrust, an increase of noise (represented by the variance) results in a higher probability of distrust

MicroRNAs delivery into human cells grown on 3D-printed PLA scaffolds coated with a novel fluorescent PAMAM dendrimer for biomedical applications

Many advanced synthetic, natural, degradable or non-degradable materials have been employed to create scaffolds for cell culture for biomedical or tissue engineering applications. One of the most versatile material is poly-lactide (PLA), commonly used as 3D printing filament. Manufacturing of multifunctional scaffolds with improved cell growth proliferation and able to deliver oligonucleotides represents an innovative strategy for controlled and localized gene modulation that hold great promise and could increase the number of applications in biomedicine. Here we report for the first time the synthesis of a novel Rhodamine derivative of a poly-amidoamine dendrimer (G = 5) able to transfect cells and to be monitored by confocal microscopy that we also employed to coat a 3D-printed PLA scaffold. The coating do not modify the oligonucleotide binding ability, toxicity or transfection properties of the scaffold that is able to increase cell proliferation and deliver miRNA mimics (i.e., pre-mir-503) into human cells. Although further experiments are required to optimize the dendrimer/miRNA ratio and improve transfection efficiency, we demonstrated the effectiveness of this promising and innovative 3D-printed transfection system to transfer miRNAs into human cells for future biomedical applications. © 2018, The Author(s)

Análise das interações medicamentosas e perfil epidemiológico de indivíduos com diabetes mellitus na atenção primária

Aim: to analyze drug interactions and the epidemiological profile of individuals with diabetes mellitus (DM). Method: quantitative study with the application of a questionnaire to 42 patients with DM belonging to a Family Health Center (FHC). Data were collected in 2018, in three stages: meeting at the CSF, home visits and searching electronic medical records; followed by analysis of drug interactions in the Drug Interactions Checker Drug Information and DrugBank databases. Results: the mean age of the patients was 68.36 years. The total number of associations between drugs was 1355 (mean 32.26 / patient). The total number of medications that interact was 479 (11.40 interactions /patient). In 65% the combinations did not interact, 4% were mild interactions, 26.05% moderate and 1.70% severe. Conclusion: the number of drug interactions is significant, with a moderate degree predominating. The age of patients and the presence of comorbidities can be associated with polymedication, contributing to the occurrence of these interactions.Objetivo: analisar as interações medicamentosas e o perfil epidemiológico de indivíduos com diabetes mellitus (DM). Método: estudo quantitativo com aplicação de questionário a 42 pacientes com DM pertencentes a um Centro de Saúde da Família (CSF). Os dados foram coletados em 2018, em três etapas: encontro no CSF, visitas domiciliares e busca em prontuário eletrônico; seguido de análise das interações medicamentosas nas bases Drug Interactions Checker Drug Information e DrugBank. Resultados: a idade média dos pacientes foi de 68,36 anos. O número total de associações entre fármacos foi de 1355 (média de 32,26/paciente). O total de medicações que interagem foi de 479 (11,40 interações/paciente). Em 65% as combinações não interagiram, 4% foram interações leves, 26,05% moderadas e 1,70% graves. Conclusão: a quantidade de interações medicamentosas é expressiva, predominando as de grau moderado. A idade dos pacientes e presença de comorbidades podem estar associadas à polimedicação, contribuindo para ocorrência dessas interações

Excited state dynamics of Zn–salophen complexes

Zn-salophen complexes are a promising class of fluorescent chemosensors for nucleotides and nucleic acids. We have investigated, by means of steady state UV-Vis, ultrafast transient absorption, fluorescence emission and time dependent density functional theory (TD-DFT) the behavior of the excited states of a salicylidene tetradentate Schiff base (Sal), its Zn(II) coordination compound (Zn-Sal) and the effect of the interaction between Zn-Sal and adenosine diphosphate (ADP). TD-DFT shows that the deactivation of the excited state of Sal occurs through torsional motion, due to its rotatable bonds and twistable angles. Complexation with Zn(II) causes rigidity so that the geometry changes in the excited states with respect to the ground state structure are minimal. By addition of ADP to a freshly prepared Zn-Sal ethanol solution, a longer relaxation constant, in comparison to Zn-Sal, was measured, indicative of the interaction between Zn-Sal and ADP. After a few days, the Zn-Sal-ADP solution displayed the same static and dynamic behavior of a solution containing only the Sal ligand, demonstrating that the coordination of the ADP anion to Zn(II)leads to the demetallation of the Sal ligand. Fluorescence measurements also revealed an enhanced fluorescence at 375 nm following the addition of ADP to the solution, caused by the presence of 2,3-diamino naphthalene that is formed by demetallation and partial decomposition of the Sal ligand. The efficient fluorescence of this species at 375 nm could be selectively detected and used as a probe for the detection of ADP in solution.[GRAPHICS]

FILHOS COM TDAH NA VISÃO DE MÃES PROFESSORAS

Para que o Transtorno do Déficit de Atenção com Hiperatividade (TDAH) seja melhor compreendido por todos e seja descrito o seu contexto educacional de forma clara e de fácil entendimento, foi assumido o desafio por parte de duas mães com filhos hiperativos de escrever um artigo não apenas explicando esse déficit, como também contextualizando-o dentro da realidade do dia a dia vivenciado por elas diante de momentos conflituosos e dos caminhos e soluções tomados. Para conceitualizar as informações apresentadas, foram inseridas citações de livros e sites relacionados a pesquisas sobre neurologia. Também, para enriquecimento do presente artigo, foram registrados os resultados observados diante desses jovens.Palavras-chave: TDAH. Mães. Escola

Click-connected 2-(hydroxyimino)aldehydes for the design of UV-responsive functional molecules

Click chemistry is used to functionalize simple lipophilic and water-soluble molecules, a complex PEGylated phospholipid (DSPE-PEG2000), and two benzylic substrates with the 2-(hydroxyimino)aldehyde (HIA) group. To this end, two terminal alkynes bearing the HIA moiety were synthesized and coupled to different azides through copper(I)-catalyzed azide alkyne cycloaddition (CuAAC). Norrish–Yang photoisomerization (λ= 365 nm, LED source) is successfully obtained, with no interference by the triazole linker, except when the forbidden n-π* carbonyl transition is screened by a remote substituent such as salicylaldehyde. UV-Vis spectrometry suggests a specific interaction of HIAs with Cu(II), whereas no such evidence is found with Cu(I). We thereby show that the CuAAC methodology can be used successfully to obtain HIA-based UV-responsive hydrophilic or lipophilic ligands, phospholipidic components for the construction of liposomes, and macrocycle precursors. © 2020 Wiley-VCH Gmb

A Simple and Efficient Mechanochemical Route for the Synthesis of Salophen Ligands and of the Corresponding Zn, Ni, and Pd Complexes

A number of salophen ligands and their Zn, Ni, and Pd complexes were synthesized by an efficient one-pot mechanosynthesis protocol. The reaction products were characterized by means of complementary solid-state techniques, i.e., powder X-ray diffraction, single-crystal X-ray diffraction, and solid-state NMR spectroscopy. Four new crystal structures of metal salophen complexes as DMSO solvates are here reported. The described simple and relatively fast (about 1 h for all derivatives) procedure is a good alternative to classical methods performed in organic solvents. © 2019 by the author

Synthesis and Electronic Structure Determination of Uranium(VI) Ligand Radical Complexes

   Pentagonal bipyramidal uranyl complexes of salen ligands, N,N’-bis(3-tert-butyl-(5R)-salicylidene)-1,2-phenylenediamine, in which R = tBu (1a), OMe (1b), and NMe2 (1c), were prepared and the electronic structure of the one-electron oxidized species [1a-c]+ were investigated in solution. The solid-state structures of 1a and 1b were solved by X-ray crystallography, and in the case of 1b an asymmetric UO22+ unit was found due to an intermolecular hydrogen bonding interaction. Electrochemical investigation of 1a-c by cyclic voltammetry showed that each complex exhibited at least one quasi-reversible redox process assigned to the oxidation of the phenolate moieties to phenoxyl radicals. The trend in redox potentials matches the electron-donating ability of the para-phenolate substituents. The electron paramagnetic resonance spectra of cations [1a-c]+ exhibited gav values of 1.997, 1.999, and 1.995, respectively, reflecting the ligand radical character of the oxidized forms, and in addition, spin-orbit coupling to the uranium centre. Chemical oxidation as monitored by ultraviolet-visible-near-infrared (UV-vis-NIR) spectroscopy afforded the one-electron oxidized species. Weak low energy intra-ligand charge transfer (CT) transitions were observed for [1a-c]+ indicating localization of the ligand radical to form a phenolate / phenoxyl radical species. Further analysis using density functional theory (DFT) calculations predicted a localized phenoxyl radical for [1a-c]+ with a small but significant contribution of the phenylenediamine unit to the spin density. Time-dependent DFT (TD-DFT) calculations provided further insight into the nature of the low energy transitions, predicting both phenolate to phenoxyl intervalence charge transfer (IVCT) and phenylenediamine to phenoxyl CT character. Overall, [1a-c]+ are determined to be relatively localized ligand radical complexes, in which localization is enhanced as the electron donating ability of the para-phenolate substituents is increased (NMe2 > OMe > tBu)

Il progetto Lab2Go per la diffusione della pratica laboratoriale nelle Scuole Secondarie di II grado

Even if laboratory practice is essential for all scientific branches of knowledge, it is often neglected at High School, due to lack of time and/or resources. To establish a closer contact between school and experimental sciences, Sapienza Università di Roma and the Istituto Nazionale di Fisica Nucleare (INFN) launched the Lab2Go project, with the goal of spreading laboratory practice among students and teachers in high schools