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Singh Y. T.,Patra P. K.,Obodo K. O.,Rai D. P. 한국탄소학회 2022 Carbon Letters Vol.32 No.2
We investigated the electronic and mechanical properties of single-walled carbon nanotubes (SWCNTs) with different tube diameters using density functional theory (DFT) and molecular dynamics (MD) simulation, respectively. The carbon nanotubes’ electronic properties were derived from the index number (n1 , n2 ), lattice vectors, and the rolled graphene sheet orientation. For (6,1) SWCNT, (n1 -n2 )/3 is non-integer, so the expected characteristic is semiconducting. We have considered (6,1) Chiral SWCNT with different diameters ‘d’ (4.68 Å, 4.90 Å, 5.14 Å, 5.32 Å, 5.53 Å) corresponds to respective bond lengths ‘δ ’ (1.32 Å, 1.38 Å, 1.45 Å, 1.50 Å and 1.56 Å) and then analyze the electronic properties from the Linear Combination of Atomic Orbitals (LCAO) based on DFT. We have used both the DFT-1/2 and GGA exchange energy correlation approximations for our calculation and compared the results. In both cases, the energy bandgap is decreasing order with the increase in bond lengths. The lowest value of formation energy was obtained at the bond length δ=1.45 Å (d=5.14 Å). For the mechanical properties, we have calculated Young’s modulus using molecular dynamics (MD) simulations. From our calculation, we have found that the (6,1) SWCNT with bond length 1.45 Å (d=5.14 Å) has Young’s modulus value of 1.553 TPa.
Alumina/SiC 나노복합재료에서의 잔류 열응력 완화거동에 관한 연구
Y. H. Choa,K.Niihara,T. Ohji,J. P. Singh 한국분말야금학회 2002 한국분말야금학회 학술대회논문집 Vol.2002 No.1
Plastic deformation was observed by TEM around the intragranular SiC particles in the matrix for nanocomposite system. The dislocations are generated at selected planes and there is a tendency for the dislocations to form a subgrain boundary structure with low-angel grain boundaries and networks. In this study, dislocation generated in the matrix during cooling down from sintering temperatures by the highly localized thermal stresses within and/or around SiC particles caused from the thermal expansion mismatch between matrix and SiC particle was observed. In monolithic and microcomposite system. These phenomena is closely related to the plastic relaxation of the elastic stress and strain energy associated with both thermal misfitting inclusions and creep behaviors. The plastic relaxation behavior was explained by combination of yield stress and internal stress.
Singh, B.,Choi, Y.-J.,Park, I.-K.,Akaike, T.,Cho, C.-S. American Scientific Publishers 2014 Journal of Nanoscience and Nanotechnology Vol.14 No.1
Successful gene therapy depends on the development of efficient and cell-specific gene delivery systems. Currently, animal viral vectors have been mostly used for in vivo and in clinical trials owing to their high transduction efficiency. However, they suffer from numerous limitations such as biosafety, immunogenicity, gene packaging capacity, complicated production and cell specificity. Therefore non-viral vectors are attractive alternatives to viral gene delivery systems due to their low toxicity, relatively easy production and greater diversity. Among non-viral vectors, chitosan and chitosan derivatives have been extensively utilized as gene carriers owing to their low immunogenicity, biocompatibility, biodegradability low toxicity and ease of chemical modifications. However, low transfection efficiency of DNA (or low gene silencing of siRNA) and low cell specificity of chitosan should be overcome before clinical trials. The objective of this review is to summarize several parameters affecting the transfection efficiency of DNA (or gene silencing of siRNA) for the promising use of chitosan as gene carriers. Besides, chemical modifications of chitosan with pH-sensitive molecules and specific ligands so as to enhance the transfection efficiency of DNA (or gene silencing of siRNA) and cell specificity will be covered.
PA-824 Kills Nonreplicating Mycobacterium tuberculosis by Intracellular NO Release
Singh, R.,Manjunatha, U.,Boshoff, H. I. M.,Ha, Y. H.,Niyomrattanakit, P.,Ledwidge, R.,Dowd, C. S.,Lee, I. Y.,Kim, P.,Zhang, L.,Kang, S.,Keller, T. H.,Jiricek, J.,Barry, C. E. American Association for the Advancement of Scienc 2008 Science Vol.322 No.5906
<P>Bicyclic nitroimidazoles, including PA-824, are exciting candidates for the treatment of tuberculosis. These prodrugs require intracellular activation for their biological function. We found that Rv3547 is a deazaflavin-dependent nitroreductase (Ddn) that converts PA-824 into three primary metabolites; the major one is the corresponding des-nitroimidazole (des-nitro). When derivatives of PA-824 were used, the amount of des-nitro metabolite formed was highly correlated with anaerobic killing of Mycobacterium tuberculosis (Mtb). Des-nitro metabolite formation generated reactive nitrogen species, including nitric oxide (NO), which are the major effectors of the anaerobic activity of these compounds. Furthermore, NO scavengers protected the bacilli from the lethal effects of the drug. Thus, these compounds may act as intracellular NO donors and could augment a killing mechanism intrinsic to the innate immune system.</P>
D. P. Rai,Y. T. Singh,B. Chettri,M. Houmad,P. K. Patra 한국탄소학회 2021 Carbon Letters Vol.31 No.3
We report the comparative study of electronic and optical properties of (6,1) SWCNT from GGA and DFT-1/2 methods. (6,1) SWCNT is a low-bandgap semiconductor, which falls within ( n1 ? n2)/3≠ integer. The calculated bandgaps are 0.371 eV and 0.462 eV from GGA and DFT-1/2, respectively. Thus, DFT-1/2 enhanced the electronic bandgap by 24.52%. From both GGA and DFT-1/2 approaches (6,1) SWCNT exhibits an indirect bandgap along Γ ? Δ symmetry. However, the percentage change in direct–indirect bandgap is negligibly small, i.e., 4.1% and 3.7% from GGA and DFT-1/2, respectively. The refractive index measured along x-axis ( n x ) approaches unity, indicating transparent behaviour, while that along z-axis ( n z ) goes as high as ∼3.82 for photon energy 0.0 ? 0.15 eV, exhibiting opaque behaviour. Again, the value of n z drops below unity at photon energy ∼0.18 eV and again approaches ∼ 1 for higher energy ranges. The optical absorption is highly anisotropic and active within the infrared region.
Li, H.S.,Singh, B.,Park, T.E.,Hong, Z.S.,Kang, S.K.,Cho, C.S.,Choi, Y.J. Elsevier 2015 European journal of pharmaceutical sciences Vol.80 No.-
Mucosal vaccination of protein as an antigen requires appropriate delivery or adjuvant systems to deliver antigen to mucosal immune cells efficiently and generate valid immune responses. For successful nasal immunization, the obstacles imposed by the normal process of mucociliary clearance which limits residence time of applied antigens and low antigen delivery to antigen presenting cells (APCs) in nasal associated lymphoid tissue (NALT) need to be overcome for the efficient vaccination. Here, we prepared mucoadhesive and mannan-decorated thiolated Eudragit microspheres (Man-TEM) as a nasal vaccine carrier to overcome the limitations. Mucoadhesive thiolated Eudragit (TE) were decorated with mannan for targeting mannose receptors (MR) in antigen presenting cells (APCs) to obtain efficient immune responses. The potential adjuvant ability of Man-TEM for intranasal immunization was confirmed by in vitro and in vivo experiments. In mechanistic study using APCs in vitro, we obtained that Man-TEM enhanced the receptor-mediated endocytosis by stimulating the MR receptors of APCs. The nasal vaccination of OVA-loaded Man-TEM in mice showed higher levels of serum IgG and mucosal sIgA than the soluble OVA group due to the specific recognition of MR of APCs by the mannan in the Man-TEM. These results suggest that mucoadhesive and Man-TEM may be a promising candidate for nasal vaccine delivery system to elicit systemic and mucosal immunity.
Gennarino, Vincenzo A.,Singh, Ravi K.,White, Joshua J.,De Maio, A.,Han, K.,Kim, J.Y.,Jafar-Nejad, P.,di Ronza, A.,Kang, H.,Sayegh, Layal S.,Cooper, Thomas A.,Orr, Harry T.,Sillitoe, Roy V.,Zoghbi, Hud Cell Press ; MIT Press 2015 Cell Vol.160 No.6
Spinocerebellar ataxia type 1 (SCA1) is a paradigmatic neurodegenerative proteinopathy, in which a mutant protein (in this case, ATAXIN1) accumulates in neurons and exerts toxicity; in SCA1, this process causes progressive deterioration of motor coordination. Seeking to understand how post-translational modification of ATAXIN1 levels influences disease, we discovered that the RNA-binding protein PUMILIO1 (PUM1) not only directly regulates ATAXIN1 but also plays an unexpectedly important role in neuronal function. Loss of Pum1 caused progressive motor dysfunction and SCA1-like neurodegeneration with motor impairment, primarily by increasing Ataxin1 levels. Breeding Pum1<SUP>+/-</SUP> mice to SCA1 mice (Atxn1<SUP>154Q/+</SUP>) exacerbated disease progression, whereas breeding them to Atxn1<SUP>+/-</SUP> mice normalized Ataxin1 levels and largely rescued the Pum1<SUP>+/-</SUP> phenotype. Thus, both increased wild-type ATAXIN1 levels and PUM1 haploinsufficiency could contribute to human neurodegeneration. These results demonstrate the importance of studying post-transcriptional regulation of disease-driving proteins to reveal factors underlying neurodegenerative disease.