Abstract The new generations of the Digital Era have an interactive and agile language and way to communicate. On this regard, it is important to innovate in the teaching methods, and take advantage of the capacities that they possess. The aim of the present work was to develop an interactive platform, implemented as a website, which can be used by university students in engineering and science, to learn the stoichiometry of reactions, and understand the structures of chemical molecules, through 3D printing. The methodology consisted of two main objectives: 1) the development of interactive software to formulate balanced hypotheses, in the format for the website, and 2) the 3D design of molecules. The molecules were designed automatically, using as a base the molecules designed on the website of free use MolView, and others using the Valence shell electron pair repulsion (VSEPR) theory. An interactive platform called “3D Chemistry” has been developed, in which all possible reactions can be found, the student enters the reactants and the products of the reaction, and by means of an algorithm three stoichiometric coefficients can be obtained, with one correct alternative. The student must choose the correct alternative, to have access to visualize the molecules in an image with 3D design, and download the file for the MakerBot 3D printer, and in this way understand its spatial geometry and structure.

Resumen Las nuevas generaciones de la Era Digital tienen un lenguaje y manera de comunicarse interactivo y ágil. Es importante innovar en los métodos de enseñanza, y aprovechar las capacidades y habilidades que ellos poseen. El objetivo de este trabajo fue desarrollar una plataforma interactiva, implementada como sitio web, que pueda ser utilizada por estudiantes universitarios del área de la ingeniería y ciencias, para aprender la estequiometría de las reacciones, y comprender las estructuras de las moléculas químicas, mediante impresión 3D. La metodología consistió en dos trabajos principales: 1) el desarrollo de un software interactivo para formular reacciones químicas equilibradas, en formato para sitio web, y 2) el diseño en 3D de moléculas. Las moléculas fueron diseñadas de manera de ser autoexplicativas, utilizando como base moléculas diseñadas en el sitio web de libre uso MolView, y otras utilizando la Teoría de Repulsión de Pares de Electrones de Valencia (TREPEV). Se logró desarrollar una plataforma interactiva llamada “Química 3D”, en la cual se podrán formular todas las reacciones posibles, el estudiante ingresará los reactantes y productos de la reacción, y mediante un algoritmo se generarán tres alternativas de coeficientes estequiométricos, con una alternativa correcta. El estudiante debe escoger la alternativa correcta, para tener acceso para visualizar las moléculas en imagen con diseño 3D, y además descargar el archivo para impresora 3D Makerbot, y de esta manera comprender su geometría espacial y estructura.

ABSTRACT A new amlodipine-chitosan nanocomposite was built using amlodipine nanoparticles as primary scaffolds by spontaneous emulsification, and its complete elucidation was performed by using several spectrometric techniques. Our results indicate that the amlodipine-chitosan nanocomposite has better solubility than amlodipine at pH 7.4 with a nearly all the drug substance dissolved (97%) by the final time-point measured. The docking study support the existence of intermolecular interactions are established between amlodipine and chitosan.

Chalcones are open chain molecules precursors of flavonoids and isoflavonoids, found spread in edible plants. Because they are easily accessible trough Claisen Shmidt condensation, a great variety of derivatives are available. They have also shown potential in pharmacological and biological applications. It is known that chalcone derivatives display a role in the treatment of complex diseases such as cancer, among others, where the DNA is considered as the target for the action of these kinds of compounds. This action is commonly explained as the inhibition of the DNA replications and transcriptions through interactions. However, not conclusive associations between these DNA-Drug interactions and toxicity have been found. This research focuses on the capacity of a chalcone`s family to interact with DNA. Therefore, the binding constants for each compounds with Calf Thymus DNA [CT-DNA] were determined by spectrophotometric titration at room temperature. In addition, the effect of increasing the chalcone`s concentration over the relative viscosity of CT-DNA at room temperature was assessed. On the other hand, with the aim to find the optimal DNA-chalcone configurations, as well as consistently predict their binding, a computational work was undertaken. To accomplish these goals within a reasonable time framework, an empirical scoring function (AScore) and a docking engine (ShapeDock) were performed using the ArgusLab package. The results of viscosity and docking measurement provided structural insights which suggest that chalcones bind with DNA via interaction as well as intercalation. The presence of interactions is also evidenced by the spectrophotometric study which showed luminescence quenching of the chalcones upon interaction with CT-DNA.

While chemical weapons have been used since the beginning of armed struggles, either for their flammable or toxic properties, it was only during World War I when what is known as "modern" chemical warfare began. July 28 marks the one hundred and one anniversary of the beginning of what is also known as "The Great War". This conflict created enormous consequences for society at the time, marking a before and after in the history of mankind, as well as being the genesis of modern chemical warfare.

Si bien desde los inicios de las contiendas armadas se utilizaron armas químicas, ya sea por sus propiedades inflamables o tóxicas, fue recién durante la Primera Guerra Mundial cuando se dio inicio a lo que se conoce como guerra química "moderna". El 28 de julio de 2014 se cumplieron ciento un años del comienzo de la que también es conocida como la "la Gran Guerra". Este conflicto generó enormes consecuencias para la sociedad de su época, marcando un antes y un después en la historia de la humanidad, además de ser la génesis de la guerra química moderna.

Two new phosphorus complexes, potassium trichlorothiocyanophosphate (III) (PTCTCP; K[PCl3(SCN)]) and potassium trichlorocyanophosphate (III) (PTCCP; K[PCl3(CN)]) were synthesized from the reaction of KSCN and KCN, respectively, with PC^. The chemical formulas and compositions of these compounds were determined by elemental analysis and spectroscopic methods, such as phosphorus-31 nuclear magnetic resonance (NMR) spectroscopy (31P-NMR), Fourier transform infrared (FTIR) spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy and mass spectrophotometry. All of the theoretical calculations and determinations of the properties of these compounds were performed as part of the Amsterdam Density Functional (ADF) program. Excitation energies were assessed using time-dependent perturbation density functional theory (TD-DFT). In addition, the molecular geometry was optimized and the frequencies and excitation energies were calculated using standard Slater-type orbital (STO) basis sets with triple-zeta quality double plus polarization functions (TZ2P) for all of the atoms. The assignment of the principal transitions and total densities of state (TDOS) for orbital analysis were performed using the GaussSum 2.2 program.