In silico identification of vaccine candidates against Klebsiella oxytoca

Klebsiella oxytoca causes several diseases in immunocompromised as well as healthy individuals. Increasing resistance to a number of antibiotics makes treatment options limited. Prevention using vaccine could be an important solution to get rid of infections caused by Klebsiella oxytoca. In recent time, genome based approaches have contributed significantly in vaccine development. Our aim was to identify the most conserved and immunogenic antigens that can be considered as potential vaccine candidates. KEGG database was used to find out pathways unique to the bacteria. Subcellular localization of the protein sequences taken from the selected 36 pathways were predicted using PSORTb v3.0.2 and CELLO v2.5. Prediction of B cell epitope and the probability of the antigenicity were evaluated by using IEDB and Vaxijen respectively. BLASTp was done to find out the similarity of the selected proteins with the human proteome. Proteins failing to comply with the set parameters were filtered at each step. Finally, we identified 6 surface exposed proteins as potential vaccine candidates against Klebsiella oxytoca.     

On the inner and outer radial density functions

Starting from the two-electron radial density D ₂(r ₁,r ₂), a generalized partitioning of the one-electron radial density function D(r) into two component densities D _a (r) and D _b (r) is discussed for many-electron systems. The literature partitioning (Koga and Matsuyama Theor Chem Acc 115:59, 2006) of D(r) into the inner D _<(r) and outer D _>(r) radial densities is shown to minimize the average variance of the two component density functions D _a (r) and D _b (r). It is also found that the average radial separation halved, , constitutes a lower bound to the standard deviation σ of D(r).     

Modified SMS method for computing outer inverses of Toeplitz matrices

We introduce a new algorithm based on the successive matrix squaring (SMS) method. This algorithm uses the strategy of ε-displacement rank in order to find various outer inverses with prescribed ranges and null spaces of a square Toeplitz matrix. Using the idea of displacement theory which decreases the memory space requirements as well as the computational cost, our method tends to be very effective for Toeplitz matrices.     

Localized high-resolution DTI of the human midbrain using single-shot EPI,parallel imaging,and outer-volume suppression at 7 T

Localized high-resolution diffusion tensor images (DTI) from the midbrain were obtained using reduced field-of-view (rFOV) methods combined with SENSE parallel imaging and single-shot echo planar (EPI) acquisitions at 7 T. This combination aimed to diminish sensitivities of DTI to motion, susceptibility variations, and EPI artifacts at ultra-high field. Outer-volume suppression (OVS) was applied in DTI acquisitions at 2- and 1-mm² resolutions, b = 1000 s/mm², and six diffusion directions, resulting in scans of 7- and 14-min durations. Mean apparent diffusion coefficient (ADC) and fractional anisotropy (FA) values were measured in various fiber tract locations at the two resolutions and compared. Geometric distortion and signal-to-noise ratio (SNR) were additionally measured and compared for reduced-FOV and full-FOV DTI scans. Up to an eight-fold data reduction was achieved using DTI-OVS with SENSE at 1 mm², and geometric distortion was halved. The localization of fiber tracts was improved, enabling targeted FA and ADC measurements. Significant differences in diffusion properties were observed between resolutions for a number of regions suggesting that FA values are impacted by partial volume effects even at a 2-mm² resolution. The combined SENSE DTI-OVS approach allows large reductions in DTI data acquisition and provides improved quality for high-resolution diffusion studies of the human brain.     

Recent advances in neutron reflectivity studies of biological membranes

Biological membranes are critical living interfaces which not only compartmentalise cells but also provide specific surfaces on which biochemical reactions take place. Their study is essential for our understanding of life and disease and also for the development of new pharmaceuticals. Because they are dynamic structures reliant on the surrounding aqueous phase for their activity, techniques which can probe them at a molecular scale under physiological conditions are crucial to understand their function. Here, I describe some of the recent developments in neutron reflectivity in this research area and suggest where future developments in the technology might be usefully directed.     

△（G）≤4的外平面图的邻强边色数

研究了△（Ｇ）≤４的外平面图的强边染色,证明了△（Ｇ）≤Ｘ′ａｓ（Ｇ）≤△（Ｇ）＋１,且Ｘ′ａｓ（Ｇ）＝△（Ｇ）＋１当且仅当存在两具最大度点相邻,其中△（Ｇ）和Ｘ′ａｓ（Ｇ）分别表示图Ｇ的最大度和邻强边色数,并且提出了如下猜想：如果Ｇ是一个｜Ｖ（Ｇ）｜≥３（Ｇ≠Ｃ５）的２－连通图,则△（Ｇ）≤Ｘ′ａｓ（Ｇ）≤△（Ｇ）＋２。     

An Outer Approximation Algorithm Guaranteeing Feasibility of Solutions and Approximate Accuracy of Optimality

We treat a concave programming problem with a compact convex feasible set. Assuming the differentiability of the convex functions which define the feasible set, we propose two solution methods. Those methods utilize the convexity of the feasible set and the property of the normal cone to the feasible set at each point over the boundary. Based on the proposed two methods, we propose a solution algorithm. This algorithm takes advantages over classical methods: (1) the obtained approximate solution is always feasible, (2) the error of such approximate value can be evaluated properly for the optimal value of such problem, (3) the algorithm does not have any redundant iterations.     

AN OUTER APPROXIMATION ALGORITHM FOR SEMI-INFINITE NONDIFFERENTIABLE PROGRAMMINGS

This paper presents a conceptual outer approximation algorithm for dealing with the semi-infinite nondifferentiable programming in which functions are locally Lipschitzian. By weakening the restriction on the family of functions for a parametric programming, we answer a question proposed in [1].     

The Reductions of Bis(terpyridyl) and Ethylenediaminetetraacetato Complexes of Cobalt(III) by Ascorbic Acid

The reductions of Co(terpy)₂³⁺ and Co(edta)^? complexes by ascorbic acid have been subjected to a detailed kinetic study in the range of pH =1–10.9. For each complex the rate law of the reaction is interpreted as a rate determining reaction between Co(III) complex and the ascorbic acid in the form of HA^? (k₁) and A^2? (k₂), depending on the pH of the solution, followed by a rapid scavenge of the ascorbic acid radicals by Co(III) complex. With given Ka₁ and Ka₂, the rate constants are k₁ = 0.25 and 9.87 × 10^?5 M^?1s^?1, k₂ = 1.28 × 10⁶ and 18.7 M^?1s^?1 for Co(terpy₎2³⁺and Co(edta)^? complexes, respectively, at T = 25 °C and μ = 0.50M (terpy)and 1.0 M (edta) HClO₄/LiClO₄. The mechanism of the reaction is discussed on the basis of Marcus theory for outer sphere electron transfer process. Spin change and charge effect, duly considered, account for the non‐adiabatic behavior in the reduction of Co(edta)^? complex.     

LaGO: a (heuristic) Branch and Cut algorithm for nonconvex MINLPs

We present a Branch and Cut algorithm of the software package LaGO to solve nonconvex mixed-integer nonlinear programs (MINLPs). A linear outer approximation is constructed from a convex relaxation of the problem. Since we do not require an algebraic representation of the problem, reformulation techniques for the construction of the convex relaxation cannot be applied, and we are restricted to sampling techniques in case of nonquadratic nonconvex functions. The linear relaxation is further improved by mixed-integer-rounding cuts. Also box reduction techniques are applied to improve efficiency. Numerical results on medium size test problems are presented to show the efficiency of the method.