Examination of the Effect of N‐terminal Diproline and Charged Side Chains on the Stabilization of Helical Conformation in Alanine–based Short Peptides: A Molecular Dynamics Study

The effect of N‐terminal diproline segment and charged side chains on the stabilization of helical conformation in alanine‐based short peptides are examined using molecular dynamics (MD) simulations. The cationic peptides, Ac–Pro1–Pro2–Ala3–Lys4–Ala5–Lys6–Ala7–Lys8–Ala9–NH2 (Ia) and Ac–DPro1–Pro2–Ala3–Lys4–Ala5–Lys6–Ala7–Lys8–Ala9–NH2 (IIa) are examined for the role of lysine side chains on the inducement of helical conformation in alanine‐based short peptides. To examine the influence of lysine and glutamic acid in the i, i + 4 arrangement on the stabilization of helical conformation, cationic peptides, Ia and IIa, are modified as ion‐pair peptides, Ac–Pro1–Pro2–Glu3–Glu4–Ala5–Ala6–Lys7–Lys8–Ala9–NH2 (Ib) and Ac–DPro1–Pro2–Glu3–Glu4–Ala5–Ala6–Lys7–Lys8–Ala9–NH2 (IIb), respectively. MD simulations manifest enhanced occupancies in the α basin of ϕ, ψ space for ion‐pair peptides as compare to cationic peptides. The radial distribution function (RDF) analysis highlight that large side chain substituents of lysine and glutamic acid assist in helix formation by blocking water molecules from solvating backbone CO and NH groups.N‐terminal diproline of homochiral structure, LPro–LPro, and large side chain substituents of lysine and glutamic acid residues in the i, i + 4 arrangement stabilize the helical conformation in alanine‐based nonapeptide, Ac–Pro1–Pro2–Glu3–Glu4–Ala5–Ala6–Lys7–Lys8–Ala9–NH2 (Ib), as observed in the second most‐populated microstate, m2, during molecular dynamics in explicit‐water.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/135318/1/slct201601381-sup-0001-misc_information.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/135318/2/slct201601381_am.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/135318/3/slct201601381.pd

A Systematic Review on the Synthesis of Silicon Carbide: An Alternative Approach to Valorisation of Residual Municipal Solid Waste

Over the past several decades, industrialised and developing nations have attempted to enhance sustainability. Demands for energy and the acceleration in environmental deterioration are the two primary obstacles to progress. The daily generation of municipal solid waste has been a significant factor in the deterioration of the ecology. To address this issue, a considerable amount of municipal solid waste may be used to synthesise SiC nanomaterials from organic and inorganic fractions and use them as carbon and silica sources. Nanomaterials have progressively received widespread prominence as the development of particulate materials accelerates at an incredible rate. One such material is silicon carbide (SiC), which has garnered considerable interest due to its remarkable performance and wide variety of applications. This review article discusses the SiC polytypes, including cubic, hexagonal, and rhombohedral SiC. The characteristics of silicon carbide, such as its biomimetic, surface, and thermal properties, are also discussed. In addition, the synthesis of silicon carbide was described in depth, including microwave sintering, the calcination method, the carbothermal redox reaction, and much more. The final section describes the applications of silicon carbide, including wastewater treatment, medical implants, and gas detection