It also highlights the importance the solvation on the system stabilization, thus contributing to a clearer understanding of the chemical interactions role on plasticization. The simulation results suggest the fatty acids could perform as efficient plasticizers for more complex polysaccharides such as starch. Molecular Mechanics and Dynamics were carried out to shed light on this issue. Since the interactions within a material are of extreme importance to its molecular behavior, the main focus was directed to the molecular interactions whether intra or intermolecular type. Unraveling the plasticizer effect of natural occurring fatty acids in the Brazilian Cerrado on amylose oligomers was aimed in this work in an aqueous environment. LaboratГіrio de Estudos Estruturais Moleculares вЂ“ LEEM, Instituto de QuГmica вЂ“ IQ, Universidade de BrasГlia вЂ“ UnB, Campus Darcy Ribeiro, BrasГlia, DF, BrasilД«iodegradable polymers have become part of the realm of polymer science with specially when associated to renewable sources. Laboratoire dвЂ™IngГ©nierie des BiomolГ©cules вЂ“ LIBio, Ecole Nationale SupГ©rieure dвЂ™Agronomie et des Industries Alimentaires вЂ“ ENSAIA, Institut National Polytechnique de Lorraine вЂ“ INPL, UniversitГ© de Lorraine вЂ“ UL, VandЕ“uvre-lГЁs-Nancy, France Elaine Rose Maia Laboratoire dвЂ™IngГ©nierie des BiomolГ©cules вЂ“ LIBio, Ecole Nationale SupГ©rieure dвЂ™Agronomie et des Industries Alimentaires вЂ“ ENSAIA, Institut National Polytechnique de Lorraine вЂ“ INPL, UniversitГ© de Lorraine вЂ“ UL, VandЕ“uvre-lГЁs-Nancy, France Latifa Chebil LaboratГіrio de Pesquisa em PolГmeros e Nanomateriais вЂ“ LabPolN, Instituto de QuГmica вЂ“ IQ, Universidade de BrasГlia вЂ“ UnB, Campus Darcy Ribeiro, BrasГlia, DF, Brasil Mohamed Ghoul LaboratГіrio de Pesquisa em PolГmeros e Nanomateriais вЂ“ LabPolN, Instituto de QuГmica вЂ“ IQ, Universidade de BrasГlia вЂ“ UnB, Campus Darcy Ribeiro, BrasГlia, DF, Brasil Leonardo Giordano Paterno Make sure to do this for all representations.LaboratГіrio de Estudos Estruturais Moleculares вЂ“ LEEM, Instituto de QuГmica вЂ“ IQ, Universidade de BrasГlia вЂ“ UnB, Campus Darcy Ribeiro, BrasГlia, DF, Brasil Maria JosГ© AraГєjo Sales In order to do this, we go to the periodic tab on each representation in the representation window and check +z and -z. The z-axis corresponds to the direction of the nanotube that we want to repeat our unit cell in. We have equal periodicity in X and Y and a different lattice parameter in Z. Find the terminal window associated with your VMD session. Next we add periodic boundary conditions. ClickВ Create RepВ and for selected atoms type вЂњall not element CвЂќ.В Here, I choose aВ AOChalkyВ material and leave the coloring toВ name. Now we need to create a new representation for everything else. For material chooseВ AOChalkyВ for the nanotube and select coloring method byВ color IDВ (I chose 6: silver). Then under Drawing method selectВ VDWВ or add two representations, one as dynamic bonds and one as VDW with the radius turned down to 0.3. First, we will change our nanotube to VDW representation by going toGraphics>RepresentationsВ and where it says вЂњSelected atomsвЂќ, typeВ element C. When we first load the coordinate file, we get a single representation of the unit cell without any periodic boundary conditions.

Materials studio radius of gyration