School Of Basic And Applied Sciences

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    Anisotropic short-range attractions precisely model branched erythrocyte aggregates
    (Royal Society of Chemistry, 2023-10-17T00:00:00) Yadav, Megha; Vanshika, None; Singh, Chamkor
    Homogeneous suspensions of red blood cells (RBCs or erythrocytes) in blood plasma are unstable in the absence of driving forces and form elongated stacks, called rouleaux. These erythrocyte aggregates are often branched porous networks - a feature that existing red blood cell aggregation models and simulations fail to predict exactly. Here we establish that alignment-dependent attractive forces in a system of dimers can precisely generate branched structures similar to RBC aggregates observed under a microscope. Our simulations consistently predict that the growth rate of typical mean rouleau size remains sub-linear - a hallmark from past studies - which we also confirm by deriving a reaction kernel taking into account appropriate collision cross-section, approach velocities, and an area-dependent sticking probability. The system exhibits unique features such as the existence of percolated and/or single giant cluster states, multiple coexisting mass-size scalings, and transition to a branched phase upon fine-tuning of model parameters. Upon decreasing the depletion thickness we find that the percolation threshold increases but the morphology of the structures opens up towards an increased degree of branching. Remarkably the system self-organizes to produce a universal power-law size distribution scaling irrespective of the model parameters. � 2023 The Royal Society of Chemistry.
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    Identifying the preferred interaction mode of naringin with gold nanoparticles through experimental, DFT and TDDFT techniques: Insights into their sensing and biological applications
    (Royal Society of Chemistry, 2016) Singh, Baljinder; Rani, Monika; Singh, Janpreet; Moudgil, Lovika; Sharma, Prateek; Kumar, Sanjeev; Saini, G.S.S.; Tripathi, S.K.; Singh, Gurinder; Kaura, Aman
    In this work, the binding behaviour of naringin-a flavonoid with AuNPs is explained by combining experimental and theoretical approaches. We have systematically analysed the effect of temperature and concentration of naringin and gold (Au) in the formation of naringin stabilized Au nanoparticles (N-AuNPs). The interaction of naringin with gold nanoparticles (AuNPs) is investigated by various techniques such as UV-visible spectroscopy, TEM, FT-IR, XRD and gel electrophoresis. These studies indicate that naringin acts as a reducing and stabilizing agent. Further, we have modelled the two side chains of naringin with the functional groups [C10H7O2] and [C6H5O]-, and identified the lowest energy configurations of these groups with AuNPs with the help of density functional theory (DFT). The [C10H7O2]-Au13 has higher binding energy than [C6H5O]--Au13 and it is attributed to delocalized molecular orbitals in [C10H7O2], hence higher charge transfer to the Au13 cluster. On the basis of the resulting structures, we examine the optical properties using time-dependent density functional theory (TDDFT). We observe significant changes in the optical spectra of the representative structures of side chains with the AuNPs. The peak in the spectra of the Vis region of [C10H7O2]-Au13 undergoes a shift towards lower wavelength in comparison to [C6H5O]--Au13. Natural transition orbitals (NTOs) of hole and particle states of the [C10H7O2]-Au13 conjugate system are localized on [C10H7O2] and Au13, respectively, whereas for the [C6H5O]--Au13 both hole and particle states are localized on the Au13 cluster. These N-AuNPs show their applicability as a sensor for detecting aluminium ions (Al3+) in aqueous solution. These NPs are also found to be biocompatible with normal red blood cells and MDAMB-231 breast carcinoma cell lines, as evaluated from hemolysis and cytotoxicity assays. Thus, naringin offers non-toxic and bio friendly N-AuNPs, which are considered to be the best vehicle for drug release and other possible biomedical and sensing applications. ? 2016 The Royal Society of Chemistry.
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    Genome-wide association study of 25(OH) Vitamin D concentrations in Punjabi Sikhs: Results of the Asian Indian diabetic heart study
    (Elsevier Ltd, 2016) Sapkota, B.R.; Hopkins, R.; Bjonnes, A.; Ralhan, S.; Wander, G.S.; Mehra, N.K.; Singh, J.R.; Blackett, P.R.; Saxena, R.; Sanghera, D.K.
    Vitamin D deficiency is implicated in multiple disease conditions and accumulating evidence supports that the variation in serum vitamin D (25(OH)D) levels, including deficiency, is under strong genetic control. However, the underlying genetic mechanism associated with vitamin 25(OH)D concentrations is poorly understood. We earlier reported a very high prevalence of vitamin D deficiency associated with an increased risk for type 2 diabetes and obesity in a Punjabi Sikh diabetic cohort as part of the Asian Indian diabetic heart study (AIDHS). Here we have performed the first genome-wide association study (GWAS) of serum 25(OH)D on 3538 individuals from this Punjabi Sikh population. Our discovery GWAS comprised of 1387 subjects followed by validation of 24 putative SNPs (P < 10-4) using an independent replication sample (n = 2151) from the same population by direct genotyping. A novel locus at chromosome 20p11.21 represented by rs2207173 with minor allele frequency (MAF) 0.29, [? = -0.13, p = 4.47 ? 10-9] between FOXA2 and SSTR4 was identified to be associated with 25(OH)D levels. Another suggestive association signal at rs11586313 (MAF 0.54) [? = 0.90; p = 1.36 ? 10-6] was found within the regulatory region of the IVL gene on chromosome 1q21.3. Additionally, our study replicated 3 of 5 known GWAS genes associated with 25(OH)D concentrations including GC (p = 0.007) and CYP2R1 (p = 0.019) reported in Europeans and the DAB1 (p = 0.003), reported in Hispanics. Identification of novel association signals in biologically plausible regions with 25(OH)D metabolism will provide new molecular insights on genetic drivers of vitamin D status and its implications in health disparities. ? 2015 Elsevier Ltd. All rights reserved.
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    Amino acid functionalized zinc oxide nanostructures for cytotoxicity effect and hemolytic behavior: Theoretical and experimental studies
    (Elsevier Ltd, 2017) Singh, Satvinder; Singh, Baljinder; Sharma, Prateek; Mittal, Anu; Kumar, Sanjeev; Saini, G.S.S.; Tripathi, S.K.; Singh, Gurinder; Kaura, Aman
    Blending of theoretical and experimental approach, provide an important strategy in designing the nanostructure at a microscopic level and helps in predicting the response of synthesized material towards inhibition of the growth of breast cancer cell. In this work, ab initio calculations using super cell approach are performed for three different amino acids (AAs)-Histidine (His), Arginine (Arg) and Aspartic acid (Asp) coated Zinc oxide (ZnO) nanostructures to explain the growth mechanism of nanoparticles (NPs) of different shapes. Based on the first principles calculations, we reveal that ZnO-AA (Arg and Asp) NPs results in rod like and ZnO-His NPs lead to tablet like configuration. Similar morphologies are fabricated using AAs through synthetic route. The effect of concentration ratio of reactants and pH has been studied. As synthesized samples, are characterized by using Transmission Electron Microscopy (TEM), X-ray diffraction (XRD), Fourier Transform Infrared (FTIR) and UV?Vis spectroscopy techniques. Based on the results, a plausible mechanism of formation of nanostructures has been proposed. The nanostructures with rod like morphology are found to be biocompatible with normal red blood cells and show cytotoxic effect as evaluated from hemolysis and cytotoxicity assays on breast (MCF-7, T47D, MDA-MB-231) & prostate cancer (PC-3) cell lines. ? 2017 Elsevier Ltd