Effective Assignment of α2,3/α2,6‐Sialic Acid Isomers by LC‐MS/MS‐Based Glycoproteomics

Distinct structural changes of the α2,3/α2,6‐sialic acid glycosidic linkages on glycoproteins are of importance in cancer biology, inflammatory diseases, and virus tropism. Current glycoproteomic methodologies are, however, not amenable toward high‐throughput characterization of sialic acid isomers. To enable such assignments, a mass spectrometry method utilizing synthetic model glycopeptides for the analysis of oxonium ion intensity ratios was developed. This method was successfully applied in large‐scale glycoproteomics, thus allowing the site‐specific structural characterization of sialic acid isomers.     

Magneto-hydrodynamical numerical simulation of heat transfer in MHD stagnation point flow of Cross fluid model towards a stretched surface

Here formulation and computations are presented to introduce the novel concept of activation energy in chemically reacting stagnation point flow towards a stretching sheet. Constitutive expression for Cross liquid is taken into account. Magnetic field is utilised in the transverse direction. Application of suitable variables generates the non-linear differential systems. Numerical solution by Runge–Kutta–Fehlberg approach is presented. Characteristics for the significant variables like Weissenberg number, Hartmann number, Schmidt number, activation energy chemical reaction parameter, velocity ratio parameter and Prandtl number on the physical quantities are addressed through graphs and tables. Our computations reveal that species concentration rises via larger activation energy parameter whereas it decays when Schmidt number is incremented. The Weissenberg number has opposite characteristics for local Nusselt and Sherwood numbers when compared with surface drag force.     

A proposed unsteady bioconvection model for transient thin film flow of rate-type nanoparticles configured by rotating disk

Journal of Thermal Analysis and Calorimetry - The revolution in nanotechnology has made new developments toward enhancement of energy resources which play a substantial role in the growth of...     

Computational engineering to enhance the photovoltaic by end-capped and bridging core alterations: Empowering the future with solar energy through synergistic effect in D-A materials

Organic photovoltaic solar cells are being designed to offer a low energy photovoltaic (PV) solution. Optimizing the molecular backbone is one the most important technique for improving the photovoltaic characteristic of A-D-A type small active layer molecules. Herein, we have designed and theoretical characterized six new molecules by end-capped and bridging core modifications of recently synthesized molecule BFHIC-4F. Enhancement in photovoltaic, optoelectronic and physio-chemical properties of newly designed molecules are seen by doing such modifications. Different advanced quantum chemical techniques have been employed to evaluate the performance of newly planned molecules. Large open circuit voltage and narrow band gap suggested that the designed molecules are efficient aspirants for solar cell applications. Moreover, maximum absorption capability in near-infra-red (NIR) region is observed for these newly designed molecules. To sum up, outcomes of all analyses advocated that the designed molecules are efficient candidates for solar cell applications.     

Evaluation of quantum dots applied as switchable layer in a light-controlled electrochemical sensor

Gold electrodes with switchable conductance are created by coating the gold surface with different colloidal quantum dots. For the quantum dot immobilization, a dithiol compound was used. By polarizing the electrode and applying a light pointer, local photocurrents were generated. The performance of this setup was characterized for a variety of different nanoparticle materials regarding drift and signal-to-noise ratio. We varied the following parameters: quantum dot materials and immobilization protocol. The results indicate that the performance of the sensor strongly depends on how the quantum dots are bound to the gold electrode. The best results were obtained by inclusion of an additional polyelectrolyte film, which had been fabricated using layer-by-layer assembly.      

Computational studies on the interaction of ABO-active saccharides with the norovirus VA387 capsid protein can explain experimental binding data

Norovirus strains are known to cause recurring epidemics of winter vomiting disease. The crystal structure of the capsid protein of VA387, a representative of the clinically important GII.4 genocluster, was recently solved in complex with histo-blood group A- and B-trisaccharides. However, the VA387 strain is known to bind also to other natural carbohydrates for which detailed structural information of the complexes is not available. In this study we have computationally explored the fit of the VA387 with a set of naturally occurring carbohydrate ligands containing a terminal α1,2-linked fucose. MD simulations both with explicit and implicit solvent models indicate that type 1 and 3 extensions of the ABO-determinant including ALe^b and BLe^b pentasaccharides can be well accommodated in the site. Scoring with Glide XP indicates that the downstream extensions of the ABO-determinants give an increase in binding strength, although the α1,2-linked fucose is the single strongest interacting residue. An error was discovered in the geometry of the GalNAc-Gal moiety of the published crystal structure of the A-trisaccharide/VA387 complex. The present modeling of the complexes with histo-blood group A-active structures shows some contacts which provide insight into mutational data, explaining the involvement of I389 and Q331. Our results can be applicable in structure-based design of adhesion inhibitors of noroviruses.     

Effect of Nonlinear Convection on Stratified Flow of Third Grade Fluid with Revised Fourier-Fick Relations

Here thermal dependence conductivity and nonlinear convection features in third-grade liquid flow bounded by moving surface having varying thickness are formulated. Stagnation point flow is considered. Revised FourierFick relations and double stratification phenomena are utilized for modeling energy and concentration expressions.Mathematical model of considered physical problem is achieved by implementing the idea of boundary layer theory. The acquired partial differential system is transformed into ordinary ones by employing relevant variables. The homotopic scheme yield convergent solutions of governing nonlinear expressions. Graphs are constructed for distinct values of physical constraints to elaborate the heat/mass transportation mechanisms.     

Ar+, He+，S+离子轰击n-InP单晶表面的机理研究

通过X射线光电子能谱和低能电子衍射实验研究了10～180 eV的Ar⁺、 He⁺、S⁺离子轰击n-InP(100)表面, 发现S⁺离子轰击可以产生In-S组分,减轻离子轰击对表面的物理损伤.对于Ar⁺离子轰击后的表面,经过S⁺离子处理和加热过程以后,表面损伤得到了修复,最终得到了2×2的InP表面,进一步验证了S⁺离子对InP表面的修复作用.