Biomedical subjects

Kalpana S Katti

Publications and source records attributed to Kalpana S Katti.

5 recordsLinked to original sources

PubMed2006

A molecular model for epsilon-caprolactam-based intercalated polymer clay nanocomposite: Integrating modeling and experiments.

In studying the morphology, molecular interactions, and physical properties of organically modified montmorillonite (OMMT) and polymer clay nanocomposites (PCNs) through molecular dynamics (MD), the construction of the molecular model of OMMT and PCN is important. Better understanding of interaction between various constituents of PCN will improve the design of polymer clay nanocomposite systems. MD is an excellent tool to study interactions, which require accurate modeling of PCN under consideration. Previously, the PCN models were constructed by different researchers on the basis of specific criteria such as minimum energy configuration, density of the polymer clay nanocomposite, and so forth. However, in this article we describe the development of models combining experimental and conventional molecular modeling to develop models, which are more representative of true intercalated PCN systems. The models were used for studying the morphological interactions and physical properties. These studies gave useful information regarding orientation of organic modifiers, area of coverage of organic modifiers over the interlayer clay surface, interaction of organic modifiers with clay in OMMT, interaction among different constituents of PCN, conformational and density change, and actual proportion of mixing of polymer with clay in PCN. We have X-ray diffraction and photoacoustic Fourier transform infrared spectroscopy to verify the model.

Aluminum Silicates↗

PubMed2006

Relationship of swelling and swelling pressure on silica-water interactions in montmorillonite.

In this work, we have used the previously designed controlled uniaxial swelling (CUS) cell to obtain predetermined extents of swelling in montmorillonite. Using the CUS cell, a simultaneous measurement of swelling pressure is done with controlled swelling. Undisturbed clay samples at well-defined swelling (0%-75%) were removed from the CUS cell and analyzed using scanning electron microscopy (SEM) and Fourier transform infrared (FTIR) spectroscopy. In addition, orientation-dependent microattenuated total reflectance (micro-ATR) spectroscopic investigations are also conducted on the controlled swelled samples. Significant changes in the silicate (Si-O) stretching region (1150-950 cm(-1)) have been observed with changes in swelling and orientation. The band at 1005 cm(-1) (attributed in the literature to arising from Si-O vibrations when montmorillonite platelets are normal to incident radiation) is most pronounced for the 0%-swelled sample and diminishes with swelling. The band associated with perpendicular vibration (at 1078 cm(-1)) increases with swelling. Thus, the intensity of this band increases with misorientation of clay particles. Our results indicate that the reduced particle size, as ascertained from SEM cryoimaging, with increased swelling is related to increased misorientation of the clay platelets. At 0% swelling, the clay platelets are most oriented and have largest particle size. The rearrangement of clay platelets as seen in the orientation-dependent spectra is a direct result of the breakdown of the clay particles with increased hydration resulting from increased swelling.

Journal Article↗

PubMed2005

Evolution of mechanical response of sodium montmorillonite interlayer with increasing hydration by molecular dynamics.

The mechanical response of the interlayer of hydrated montmorillonite was evaluated using steered molecular dynamics. An atomic model of the sodium montmorillonite was previously constructed. In the current study, the interlayer of the model was hydrated with multiple layers of water. Using steered molecular dynamics, external forces were applied to individual atoms of the clay surface, and the response of the model was studied. The displacement versus applied stress and stress versus strain relationships of various parts of the interlayer were studied. The paper describes the construction of the model, the simulation procedure, and results of the simulations. Some results of the previous work are further interpreted in the light of the current research. The simulations provide quantitative stress deformation relationships as well as an insight into the molecular interactions taking place between the clay surface and interlayer water and cations.

Journal Article↗

PubMed2004

Biomaterials in total joint replacement.

The current state of materials systems used in total hip replacement is presented in this paper. An overview of the various material systems used in total hip replacement reported in literature is presented in this paper. Metals, polymers, ceramics and composites are used in the design of the different components of hip replacement implants. The merits and demerits of these material systems are evaluated in the context of mechanical properties most suitable for total joint replacement such as a hip implant. Current research on advanced polymeric nanocomposites and biomimetic composites as novel materials systems for bone replacement is also discussed. This paper examines the current research in the materials science and the critical issues and challenges in these materials systems that require further research before application in biomedical industry.

Alloys↗

PubMedDate not supplied

Mechanical properties of the sodium montmorillonite interlayer intercalated with amino acids.

Nanosized montmorillonite clay dispersed in small amounts in polymer results in polymer nanocomposites having superior engineering properties compared to those of the native polymer. These nanoinclusions are created by treating clay with an organic modifier which makes clay organophilic and results in intercalation or exfoliation of the montmorillonite. The modifiers used are usually long carbon chains with alkylammonium or alkylphosphonium cations. In this work, we have investigated the use of some alternative molecules which can act as modifiers for clay composites using clay for reinforcing a matrix of biopeptides or proteins. Such composites have potential applications in the fields of biomedical engineering and pharmaceutical science. In this work, the amino acids arginine and lysine are used as modifiers. The intercalation and mechanical behavior of the interlayer spacing with these amino acids as inclusions under compression and tension are studied using molecular dynamics simulations. Significant differences in the responses are observed. This work also provides an insight into the orientation and interaction of amino acids in the interlayer under different stress paths.

Adsorption↗