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Wireless Personal Communications - Biometric authentications systems are being recognized as the better way of securing data or personal devices as they are unique. Face is considered the best way... 相似文献
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AKT, is a serine/threonine protein kinase comprising three isoforms—namely: AKT1, AKT2 and AKT3, whose inhibitors have been recognized as promising therapeutic targets for various human disorders, especially cancer. In this work, we report a systematic evaluation of multi-target Quantitative Structure-Activity Relationship (mt-QSAR) models to probe AKT’ inhibitory activity, based on different feature selection algorithms and machine learning tools. The best predictive linear and non-linear mt-QSAR models were found by the genetic algorithm-based linear discriminant analysis (GA-LDA) and gradient boosting (Xgboost) techniques, respectively, using a dataset containing 5523 inhibitors of the AKT isoforms assayed under various experimental conditions. The linear model highlighted the key structural attributes responsible for higher inhibitory activity whereas the non-linear model displayed an overall accuracy higher than 90%. Both these predictive models, generated through internal and external validation methods, were then used for screening the Asinex kinase inhibitor library to identify the most potential virtual hits as pan-AKT inhibitors. The virtual hits identified were then filtered by stepwise analyses based on reverse pharmacophore-mapping based prediction. Finally, results of molecular dynamics simulations were used to estimate the theoretical binding affinity of the selected virtual hits towards the three isoforms of enzyme AKT. Our computational findings thus provide important guidelines to facilitate the discovery of novel AKT inhibitors. 相似文献
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Jianping Lai Wen Hu Amit Datye Jingbei Liu Jan Schroers Udo D.Schwarz Jiaxin Yu 《材料科学技术学报》2021,84(25):97-104
A high-throughput approach based on magnetron co-sputtering of alloy libraries is employed to inves-tigate mechanical properties of crystalline and amorphous alloys in a ternary palladium(Pd)-tungsten(W)-silicon(Si)system with the aim to reveal the difference in plastic deformation response and extract the relevant structure-property relationships of the alloys in the system.It was found that in contrast to crystalline alloys,the amorphous ones,i.e.,metallic glasses,exhibited a much smaller fluctuation range in the plasticity parameters(Er2/H and Wp/Wt),indicating a significant difference in the plastic deformation mechanism controlling the mechanical properties for the respective alloys.We propose that the inho-mogeneous deformation of amorphous alloys localized in thin shear bands is responsible for the weaker compositional dependence of both plasticity parameters,while dislocation gliding in crystalline materials is significantly more dependent on the exact structure,thus resulting in a larger scattering range.Based on the representative efficient cluster packing model,a set of composition-dependent atomic structural models is proposed to figure out the structure-property relationships of amorphous alloys in Pd-W-Si alloy system. 相似文献
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Deepika Shekhawat Amit Singh M.K. Banerjee Tej Singh Amar Patnaik 《Ceramics International》2021,47(3):3013-3030
Bioceramics have been widely utilized for orthopaedic applications in which the biocompatibility and mechanical properties of the materials are vital characteristics to be considered for their clinical use. Till date, extensive studies have been devoted to developing a range of scientific ways for tailoring the microstructure of bioceramics in order to attain the trade-off of mechanical properties and biocompatibility of the final product. Owing to low reactivity, earlier stabilization and longer functional life of bioceramic, the developed implants are capable of replicating the mechanical behaviour of original bone. As the safety of the patient and its ultimate functionality are the ultimate goal of the selected implant material hence, the present literature survey investigates and brings forth the important aspects associated to the mechanical, biological and microstructural characteristics of bioceramics employed in orthopaedic applications. The review paper majorly focuses on effective utilization of various materials as an additive in bioceramics and processing techniques used for enhancement of properties, enabling the use of material in orthopaedic applications. The influence of various additives on the microstructure, mechanical properties and biological performance of developed bioceramics orthopaedic implants has been elaborately discussed. Furthermore, future prospects are proposed to promote further innovations in bioceramics research. 相似文献
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Amnon Amit Edmond Sabo Anna Petruseva Leah Stroller Ari Reiss Geula Klorin 《Microscopy research and technique》2022,85(3):892-899
Serous ovarian tumors may originate in epithelial cells of the fallopian tubes. Computerized morphometry was able to find significant alterations in the fallopian tube epithelium of healthy BRCA carriers. The purpose of this study was to identify a subgroup of BRCA carriers that may be at risk of developing serous ovarian cancer by evaluation of the epithelial nuclear symmetry in the fallopian tubes. Four groups of patients were analyzed; healthy patients, ovarian cancer patients, BRCA carriers, and BRCA noncarriers. All fallopian tubes appeared normal by H&E examination. The ImageProPlus software was used to assess the nuclear symmetry of 65 fimbriae epithelium cells and an artificial neural network algorithm aided in detecting a subpopulation among fimbriae of healthy BRCA carriers at risk for ovarian cancer. Significant differences were found between healthy patients and ovarian cancer patients, and between BRCA carriers and noncarriers. The algorithm was able to accurately predict BRCA carriers with associated ovarian cancer based on fallopian tube nuclear symmetry characteristics. These results reinforce the hypothesis that fimbriae epithelial cells of BRCA carriers may undergo early-stage changes that could predict the risk of progression toward malignancy. 相似文献
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Analysis of the Quaternary Structure of Hemoglobin Beckman Variant and Molecular Interpretation of Its Functional Abnormality: A Mass‐Spectrometry‐Based Approach 下载免费PDF全文
Monita Muralidharan Rajdeep Das Vijay Bhat Dr. Amit Kumar Mandal 《Chembiochem : a European journal of chemical biology》2018,19(6):633-640
Electrostatic attraction between α and β globin chains holds the subunits together in a tetrameric human hemoglobin molecule (α2β2). Compared to normal globin chains, the affinity of a mutant chain to its partner globin might be different in genetic variants of hemoglobin. This leads to an unequal abundance of normal and variant hemoglobin in heterozygous samples, even though the rates of synthesis of both the normal and variant chains are the same. The aforementioned affinities across various globin chains might be assessed by quantification of the different forms of the tetramers present in a variant hemoglobin sample. In the present study, by exploiting mass differences between globin chains, differently populated hemoglobin tetramers present in hemoglobin (Hb) Beckman, a β variant (βA135D), were structurally characterized. The relative populations of dissymmetric tetramers (α2β2, α2ββV, and α2βV2) indicated that both β and βV have different affinities towards the α globin chain. Conformational dynamics analyzed from hydrogen/deuterium exchange kinetics of the three peptide fragments of Hb Beckman in its oxy state displayed molecular insight into its functional abnormality. However, in comparison to normal hemoglobin (α2β2), the point mutation did not show any change in the collision cross‐sections of the functionally active conformers of the variant hemoglobin molecules (α2ββV and α2βV2). 相似文献
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International Journal of Steel Structures - Building-level response to post-earthquake fire hazards in steel buildings has been assessed using primarily two-dimensional analyses of the lateral... 相似文献
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Amit Md. Estiaque Arefin Md. Tariqul Islam Md. Shamim Akhter 《The International journal of environmental studies》2018,75(5):732-739
Today, urbanised people spend most of their time in indoor environments, and the risk of exposure to toxic materials in an indoor environment is of great concern. This paper considers sources for the inhalation risk of aerosol sprays by measuring the particle size distributions of some of the most popular products that are commercially available in Bangladesh, and examines the degree of toxicity and the health risk via the respirability of the products. Results show that thoracic and respirable fractions of the suspended particulate matter are present in the tested samples and hence the spray products may pose a significant health risk. 相似文献
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