One Way Traffic: Base-to-Backbone Hole Transfer in Nucleoside Phosphorodithioate

The directionality of the hole-transfer processes between DNA backbone and base was investigated by using phosphorodithioate [P(S⁻)=S] components. ESR spectroscopy in homogeneous frozen aqueous solutions and pulse radiolysis in aqueous solution at ambient temperature confirmed initial formation of G^.+-P(S⁻)=S. The ionization potential of G-P(S⁻)=S was calculated to be slightly lower than that of guanine in 5′-dGMP. Subsequent thermally activated hole transfer from G^.+ to P(S⁻)=S led to dithiyl radical (P-2S^.) formation on the μs timescale. In parallel, ESR spectroscopy, pulse radiolysis, and density functional theory (DFT) calculations confirmed P-2S^. formation in an abasic phosphorodithioate model compound. ESR investigations at low temperatures and higher G-P(S⁻)=S concentrations showed a bimolecular conversion of P-2S^. to the σ²-σ*¹-bonded dimer anion radical [-P-2S 2S-P-]⁻ [ΔG (150 K, DFT)=−7.2 kcal mol⁻¹]. However, [-P-2S 2S-P-]⁻ formation was not observed by pulse radiolysis [ΔG° (298 K, DFT)=−1.4 kcal mol⁻¹]. Neither P-2S^. nor [-P-2S 2S-P-]⁻ oxidized guanine base; only base-to-backbone hole transfer occurs in phosphorodithioate.     

Effect of Cold Atmospheric Plasma Jet and Gamma Radiation Treatments on Gingivobuccal Squamous Cell Carcinoma and Breast Adenocarcinoma Cells

Surgery, chemotherapy and radiotherapy, the conventional treatment modalities of cancer though successful are limited by presence of residual tumor cells, toxic side-effects and treatment resistance, thus raising the need for investigating other novel approaches. Here, we have used a cold atmospheric plasma (CAP) jet and assessed the in vitro efficacy in gingivobuccal squamous cell carcinoma (GB-SCC) – ITOC-03, breast adenocarcinoma—MCF7 and HEK293 cells. Cells lines were subjected to varying doses of ionizing radiation (0, 2, 4, 6, 8 Gy) and CAP jet treatment (0, 60, 180, 240, 300 s). CAP jet treatment showed time dependent increase in H₂O₂ and NO₂^? concentration. Cell viability assay showed potent effect of CAP jet on all three cell lines in comparison to radiation treatment, while helium gas treatment showed minimal inhibitory effect. Irradiated, CAP jet and helium gas treated cells showed loss of nucleic acid features, 788 cm^?1 and 1340 cm^?1 in Raman spectra, indicating DNA damage. Principal Component Analysis (PCA) showed distinct classification of CAP-treated and control cells, while Principal Component – Linear Discriminant Analysis (PC-LDA) based classification of Raman spectra showed ITOC-03 and HEK293 cells to be sensitive to CAP jet and radiation treatment in comparison to MCF7 cells. Collectively, cell viability assay and Raman spectroscopy have shown potent effect of CAP jet in GB-SCC and breast adenocarcinoma cells.

     

Polycrystalline silicon films prepared by metal-induced crystallisation using pre- and post-deposited aluminium on amorphous silicon

We report on the successful fabrication of polycrystalline silicon films by aluminium-induced crystallisation (AIC) of Radio frequency (rf) plasma-enhanced chemical vapour deposited (PECVD) a-Si films. The effects of annealing at different temperatures (300 and 400°C), below the eutectic temperature of the Si–Al binary system, on the crystallisation process have been studied. This work emphasises the important role of the position of the Al layer with respect to the Si layer on the crystallisation process. The properties of the crystallised films were characterised using X-ray diffraction, Raman spectroscopy, ellipsometry, field-emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM). With an increase in the annealing temperature, it was found that the degree of crystallisation of annealed a-Si/Al and Al/a-Si films increased. The results showed that the arrangement where the Al was on top of the a-Si had a more prominent effect on crystallisation enhancement than when Al was below the a-Si. The interfacial layer between the Al and a-Si film is crucial because it influences the layer-exchange process during annealing. The oxide layer formed between the Al and the a-Si layers greatly retards the crystallisation process in the case of the Al/Si arrangement. Our investigations suggest that polycrystalline Si films formed by AIC can be used as a seed layer in solar cell fabrication.     

Nonlinear ion-acoustic solitary waves in an electron-positron-ion plasma with relativistic positron beam

The propagation characteristics of nonlinear ion–acoustic(IA) solitary waves(SWs) are studied in thermal electron–positron–ion plasma considering the effect of relativistic positron beam. Starting from a set of fluid equations and using the reductive perturbation technique, we derive a Korteweg–de Vries(KdV) equation which governs the evolution of weakly nonlinear IA SWs in relativistic beam driven plasmas. The properties of the IA soliton are studied, and it is shown that the presence of relativistic positron beam significantly modifies the characteristics of IA solitons.     

Analysis of electron energy distribution function in a magnetically filtered complex plasma

The electron energy distribution function (EEDF) for a magnetically filtered dusty plasma is studied in a dusty double plasma device where the electron energy can be varied from 0.15 eV to ～ 2.8 eV and plasma density from 10 6 cm-3 to 10 9cm-3 . The characteristics of EEDF for these ranges of plasma parameters are investigated in a pristine plasma as well as in a dusty plasma. The results show that in the presence of dust, there is a drastic modification in EEDF patterns in a plasma with higher electron temperature and density than those in a low temperature and low density plasma produced by the magnetic filter.     

Molecular docking,PKPD, and assessment of toxicity of few chalcone analogues as EGFR inhibitor in search of anticancer agents

In the present work, molecular docking of the chalcone analogues with receptor EGFR carried out using erlotinib as reference drug is reported. About 15 chalcone analogues were analyzed CHL(1–15). Molecules CHL2, CHL3, CHL9, CHL11, and CHL15 found strong affinity for receptor EGFR exhibiting binding energies ??7.7 kcal/mol, ??7.5 kcal/mol, ??7.6 kcal/mol, ??7.9 kcal/mol, and ??8.1 kcal/mol, respectively, when erlotinib a reference drug exhibits binding energy ??7.6 kcal/mol. Toxicity for molecules was assessed against the cytochromes P450 (CYP) and P-gp using Swiss ADMET. Molecule CHL9 could be a suitable lead compound inhibitor to CYP1A2 followed by CHL2 inhibitor of CYP1A2 and CYP2C9 and CHL15 with a most stable binding affinity of ??8.1 kcal/mol, inhibiting CYP1A2, CYP2C19, and CYP2D6. CHL3 has a binding affinity of ??7.5 kcal/mol, inhibiting all the 05 CYP enzymes (CYP1A2, CYP2C19, CYP2C9, CYP2D6, and CYP3A4). CHL11 has a binding affinity of ??7.9 kcal/mol, inhibiting CYP1A2, CYP2C19, and CYP2C9. Considering inhibition of CYP family enzymes by molecules, further here we have perform the enrichment analysis to these CYP family enzymes and reported the metabolic pathways which were probably affected by inhibition of these enzymes using EnrichR online enrichment analysis server. The current predictions over these 15 chalcone derivatives will be needed to further investigate in vivo and in vitro conditions to identify the optimum therapeutic efficacy and least toxicity.

     

Synthesis of nanocrystalline and mesoporous zinc sulphide from a single precursor Zn(SOCCH3)2Lut2 complex

We report the formation of mesoporous zinc sulphide, composed by the fine network of nanoparticles, which was formed via a single precursor Zn(SOCCH₃)₂Lut₂ complex. The complex was chemically synthesized using zinc carbonate basic, 3,5-lutidine and thioacetic acid, in air. The metal precursor complex was characterized using different conventional techniques. Thermogravimetric analysis (TGA) result indicates that the decomposition of the complex starts at 100 °C and continues up to 450 °C, finally yielding ZnS. ZnS nanocrystals were characterized by powder X-ray diffraction (XRD) technique, field emission scanning electron microscopy (FESEM), N₂-sorption isotherm, UV-vis spectroscopy and photoluminescence (PL) spectroscopy. The grain diameter of nanocrystals was found to be 4-5 nm. The material followed Type-IV N₂-sorption isotherm, which is the characteristic of mesoporous materials. The band gap energy, as obtained from optical measurements was around 3.8 eV.