Author
Reinaldo Pis-Diez
Other affiliations: National University of La Plata
Bio: Reinaldo Pis-Diez is an academic researcher from National Scientific and Technical Research Council. The author has contributed to research in topics: Density functional theory & Ligand. The author has an hindex of 10, co-authored 20 publications receiving 285 citations. Previous affiliations of Reinaldo Pis-Diez include National University of La Plata.
Papers
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TL;DR: The crystal structures of Na[Cr(dipic)2]· 2H2O (1) and [Cr(Dipic)(phen)Cl]· 1/2H 2O (2), dipic=dipicolinate, phen = 1,10-phenantroline, were determined.
47 citations
TL;DR: In this article, the conformational space and electronic, magnetic and vibrational properties of vanillic acid were investigated using molecular dynamics simulations and density functional calculations, and the electronic and IR spectra were recorded and completely assigned with the help of theoretical results.
44 citations
TL;DR: In this paper, a planar dipic 2− ligand coordinates to the VO 2 + moiety through one oxygen of each carboxylate and the nitrogen atom were determined by X-ray diffraction methods.
37 citations
TL;DR: In this paper, the tridentate N-acyhydrazone derived from 4-hydroxy-benzohydrazide and 2-hydroxyl-3-methoxybenzaldehyde (H2L) was synthesized and characterized in the solid state and in solution by spectroscopic (FTIR, Ra, UV-vis, EPR) methods.
34 citations
TL;DR: In this paper, a complete and detailed study of the hydrazone obtained from condensation of antituberculous isoniazid (hydrazide of the isonicotinic acid, INH) and o -vanillin (2-hydroxy-3-methoxybenzaldehyde, o -HVa) is performed.
28 citations
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TL;DR: To date, copper has not found many uses in medicine, but number of ongoing research, as well as preclinical and clinical studies, will most likely lead to many novel applications of copper in the near future.
Abstract: Copper is one of the most interesting elements for various biomedical applications. Copper compounds show vast array of biological actions, including anti-inflammatory, anti-proliferative, biocidal and other. It also offers a selection of radioisotopes, suitable for nuclear imaging and radiotherapy. Quick progress in nanotechnology opened new possibilities for design of copper based drugs and medical materials. To date, copper has not found many uses in medicine, but number of ongoing research, as well as preclinical and clinical studies, will most likely lead to many novel applications of copper in the near future.
143 citations
TL;DR: An extensive and comparative study addresses size effects along with the evolution of d-orbital occupation for the TMn gas-phase cluster properties, found to be the main stabilization mechanism, helping in the understanding of the structural patterns.
Abstract: Subnanometric transition-metal (TM) clusters have attracted great attention due to their unexpected physical and chemical properties, leastwise compared to their bulk counterparts. An in-depth understanding of the evolution of the properties as a function of the number of atoms for such systems is a basic prerequisite to leverage countless applications, from catalysis to magnetic storage, as well as to answer fundamental questions related to their intrinsic stability. Here, we reported a systematic density functional study to investigate the structural, electronic properties and stability of all TMn (30 elements) unary clusters as a function of the number of atoms (n = 2-15). We provided the complete structural patterns for all TM periodic table groups, considering the growth evolution as well as the main trends of the structural and electronic properties. The combination of the occupation of the bonding/anti-bonding d-states and the s-d hybridization is found to be the main stabilization mechanism, helping in the understanding of the structural patterns. Most TMn clusters have a magic number of atoms, for which there are peaks in s-d hybridization and null electric dipole moments. Thus, our extensive and comparative study addresses size effects along with the evolution of d-orbital occupation for the TMn gas-phase cluster properties.
107 citations
TL;DR: A review on the recent progress of SEC is presented and selected examples involving surface-enhanced Raman scattering, ultraviolet-visible (UV-Vis), near-infrared (NIR), Fourier transform infrared (FTIR), fluorescence, as well as other SEC are summarized to fully demonstrate these techniques.
Abstract: The integration of two quite different techniques, conventional electrochemistry and spectroscopy, into spectroelectrochemistry (SEC) provides a complete description of chemically driven electron transfer processes and redox events for different kinds of molecules and nanoparticles. SEC possesses interdisciplinary advantages and can further expand the scopes in the fields of analysis and other applications, emphasizing the hot issues of analytical chemistry, materials science, biophysics, chemical biology, and so on. Considering the past and future development of SEC, a review on the recent progress of SEC is presented and selected examples involving surface-enhanced Raman scattering (SERS), ultraviolet-visible (UV–Vis), near-infrared (NIR), Fourier transform infrared (FTIR), fluorescence, as well as other SEC are summarized to fully demonstrate these techniques. In addition, the optically transparent electrodes and SEC cell design, and the typical applications of SEC in mechanism study, electrochromic device fabrication, sensing and protein study are fully introduced. Finally, the key issues, future perspectives and trends in the development of SEC are also discussed.
105 citations
TL;DR: The nickel(II) complexes with the quinolone antibacterial agents oxolinic acid, flumequine, enrofloxacin and sparfloxACin in the presence of the N,N'-donor heterocyclic ligand 2,2'-bipyridylamine have been synthesized and characterized and shown good binding propensity to human or bovine serum albumin protein having relatively high binding constant values.
95 citations
TL;DR: CPEV blends have good potential to be considered as sources of active films for food packaging applications and showed the marked influence on the water vapor transmission rates (WVTRs) and oxygen Transmission rates (OTRs) and exhibited excellent UV barrier capability.
90 citations