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Thickness effect on magnetocrystalline anisotropy of MnPt(0 0 1) film
Qurat-ul-ain,Cuong, Do Duc,Odkhuu, Dorj,Rhim, S.H.,Hong, S.C. Elsevier 2018 Journal of magnetism and magnetic materials Vol.467 No.-
<P><B>Abstract</B></P> <P>We investigated the magnetocrystalline anisotropy (MCA) of MnPt(0 0 1) film and MnPt/MgO(0 0 1) using <I>ab initio</I> electronic structure calculations. We found that the magnetic ground state of the MnPt film strongly depends on thickness (n). In bulk and in film with n ≥ 7 monolayers; AFM-II is the magnetic ground state. However, as the film thickness reduces, the magnetic ground state shifts from AFM-II to AFM-III. We employ layer-by-layer Heisenberg model to explain thickness dependent ground state transition. AFM-III state in the Mn-terminated film shows large perpendicular MCA(PMCA), which further enhances on a MgO(0 0 1) substrate. We conclude that the interface plays a key role for the enhancement of PMCA on the substrate.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Thickness- and surface-termination- dependent MCA of MnPt(0 0 1) film is investigated. </LI> <LI> The Mn-terminated MnPt(0 0 1) film has different magnetic ground state from in bulk when thickness is <7 ML. </LI> <LI> The magnetic structures of the film are studied phenomenologically using rather simplified Heisenberg model. </LI> <LI> The Mn-terminated MnPt(0 0 1) film in AFM-III state shows PMCA when thickness is <9 ML. </LI> <LI> From calculations on MnPt/MgO(0 0 1) it is found that the Mn-O interface enhance PMCA significantly. </LI> </UL> </P>
Quratulain Mohtashim,Muriel Rigout 한국섬유공학회 2022 Fibers and polymers Vol.23 No.3
Previous studies have established that sequential cation-tannin after-treatment on sulfur dyed cotton fabric canimprove the oxidative washing resistance against perborate-based laundering regimes. In this investigation, C.I. Sulfur Black1 dyed cotton fabric was after-treated with a cationic fixing agent (Tinofix ECO) and tannin-based product (Bayprotect CL)and laundered with ISO 105 C09 washing protocol. The dyeings were evaluated for color strength and wash fastness. Thesurface functionalities and elemental composition of the dyeings were analyzed by using the surface sensitive X-rayphotoelectron spectroscopy (XPS) to compare visual changes with surface chemical changes. After-treated and laundereddyeings exhibited higher content of surface sulfur and lower surface oxidation as compared to the untreated counterparts. TheS (2p) spectra of after-treated and laundered samples demonstrated reduced over oxidized (S6+) species at 168 eV. The effectof laundering and modification to the surface sulfur dye was related to K/S and % color loss analysis.
Reaz Uddin,Quratulain Nehal Siddiqui,Muhammad Sufian,Syed Sikander Azam,Abdul Wadood 한국유전학회 2019 Genes & Genomics Vol.41 No.11
Background Among the resistant isolates of MTB, multidrug resistant tuberculosis (MDR-TB) and extensively drug resistant tuberculosis (XDR-TB) have been the areas of growing concern. The genomic analysis showed that the respective genomic pool of the XDR-MTB proteome contains more than 30% of the hypothetical proteins for which no functions have been annotated yet. This class of proteins presumably have their own importance to complete genome and proteome information. The bioinformatics advancements have helped to annotate those hypothetical proteins by using various computational tools and have potential to classify them functionally. Objective The objective of this study was to propose a new and unique drug target against the deadly Mycobacterium tuberculosis using Bioinformatics approaches to characterize the hypothetical proteins. Results We stepwise reduced the hypothetical proteins (total number: 1256) out of the complete proteome to only 26 essential hypothetical proteins. Out of those 26 proteins, the protein WP_003401246.1 was computationally characterized as the druggable target. Conclusion The study proposed a hypothetical protein from complete proteome of the XDR-MTB as a new drug target against which new drug candidates can be proposed. Hence, the study opens up the new avenues in the areas of drug discovery against deadly M. tuberculosis.
Samia Siddique,Quratulain Syed,Runbina Nelofer,Ahmad Adnan,Habiba Mansoor,Fahim Ashraf Qureshi 한국응용생명화학회 2014 Applied Biological Chemistry (Appl Biol Chem) Vol.57 No.3
Present study was conducted to optimize avermectinB1b production from S.avermitilis 41445 UV45(m)3 usingartificial neural network and response surface methodology. Threevariables NaCl, KCl, and pH were used for optimization. Coefficientof determination and adjusted coefficient of determination havevery poor values for RSM. Values predicted by RSM for experimentswere also much different from the observed avermectin production. Comparatively predicted avermectin levels by ANN were veryclose to observed values with much higher R2 and adjusted R2. Optimum levels of NaCl, KCl, and pH predicted by ANN were1.0 g/L, 0.5 g/L, and 7.46 respectively. Sensitivity analysis predictedhighest effect being shown was by pH followed by NaCl and KCl. About 37.89 folds increase in avermectin B1b production wasobserved at optimum levels of three variables envisage by ANN. Optimum levels, ranking order of variables, and the predictedavermectin on the optimum levels by the RSM was muchdifferent from ANN values. Results revealed that ANN is a betteroptimization tool for given strain than RSM.