1. Soft matter dynamics
In large extent the macroscopic properties of soft matter (e.g., polymers, colloids, glass-forming, biological systems.) are strongly dependent to molecular motion. Characterize and understand this correlation is one goal of this research line. One important topic in this issue is understand the properties of the confined water. Surprisinly these properties are very distinct of the bulk one and are the key to understand several phenomena beyond the biological limit (e.g., chemical reactivity at nanoscale, micro/nano corrosion processes, nanofluidics, etc). We also study the glass-like transition phenomenon occurring in macromolecules. Understand the relationship between molecular dynamics and biological function is important to unveil the protein dynamics, activity and stability and cold help to more eficient biopreserving materials.
The developed knowledge could be used for design of novel materials for energy, biochemical, and biomedical applications.
2.Vibrational spectroscopy (Raman,FTIR) of anharmonic systems
Recently the role of anharmonicity has been considered as crucial to explain phenomena in several systems. Two important examples are the biopolymers or biological macromolecules and the thermoelectric cage-like systems as skutterudites and intermetalic clatrates. The search for correlations between fluctuations, excitations, and biochemical activity has recently motivated experimental and theoretical advances in the field of the physical properties of macromolecules. In biological systems, fluctuations and, consequently, excitations are intrinsic components of molecular activity. Their understanding is of utmost interest. It has been demontred that the onset of biological activity is closely related to the anharmonicity of the macromolecule. The anharmonicity is also closely related to the thermoelectric properties of the cage-like systems.
The foccus of this research line is employ Raman and Fourier-Transform Infrared (FTIR) spectroscopy to probe the dynamical properties of these systems and contribute to understand their phyical properties.
3. Opticall biopsy of pathological states based on vibrational spectroscopy
Optical biopsy techniques consist of the analysis of tissues based on their optical properties. Advances in optical biopsy techniques including Raman and FTIR spectroscopies will enable the rapid and non or minimally invasive analysis and diagnoses of pathological tissues. These techniques should therefore become routine diagnostic methods since an early diagnosis of diseases increases the chances of cure in most cases because of the timely initiation of adequate treatment. The routine use of it for the early detection of different diseases would permit a real-time, noninvasive diagnosis, submitting the patient to as less trauma as possible.
Our focus in this subject is contribute to understand the Raman and FTIR signal of degenerated and inflammatory tissues. One motivation is increase the sensitivity of the method enabling, e.g., high accuracy determination of cancers border lesions.
4. Computer simulation and modeling of macromolecules and tissues.
Computational simulations are widely used to study and make predictions concerning a broad variety of systems ranging from pharmacology to engineering fields. Atomistic models based on quantum mechanics calculations have the greatest materials propertie's predictive capability. However, due to their inherent complexity (aperiodicity and large number of atoms), detailed atomistic models for biological tissues are still absent. Such models would be useful to understand physical/biochemical properties of tissues. For example, little is known about the underlying mechanisms of cell migration in wound healing, specially the modulating role of mechanical tension at the microenvironmental scale. Computational models could be also suitable for perform 'in silico" biological experiments of interest in farmacoloy and cosmetoloy. Recently we presented the first available computational model for a soft tissue.
The main goal in this direction is improve our proposed model and expand its capabilities to cover applications in biomedice, pharmacology, cosmetology, and biomedical engineering.
A C T U A L R E S E A R C H L I N E S
Research in our group is foccused on Dynamics of Soft Materials, Molecular Biophysics. Our main experimental tools are the Vibrational Spectroscopy (Raman and IR) and X-Ray Diffraction. For suitable data analysis and modeling Density Functional Theory high performance computacional simulations are also tools of usage.
We also develop applications on fields of energy, biomedicine, biomedical optics, biomedical engineering, phyical chemistry.
We are an interdisciplinary group where physicists, physicians, biologists, chemistries, engineeres could work together, change experiences and collaborare to solve challenging problems in the border of science and technology
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S P O N S O R S