Computational analysis for the determination of deleterious nsSNPs in human MTHFD1 gene

Single nucleotide polymorphisms (SNPs) are the most common genetic polymorphisms and play a major role in many inherited diseases. Methylenetetrahydrofolate dehydrogenase 1 (MTHFD1) is one of the enzymes involved in folate metabolism. In the present study, the functional and structural consequences of nsSNPs of human MTHFD1 gene was analyzed using various computational tools like SIFT, PolyPhen2, PANTHER, PROVEAN, SNAP2, nsSNPAnalyzer, PhD-SNP, SNPs&GO, I-Mutant, MuPro, ConSurf, InterPro, NCBI Conserved Domain Search tool, ModPred, SPARKS-X, RAMPAGE, FT Site and PyMol. Out of 327 nsSNPs form human MTHFD1 gene, total 45 SNPs were predicted as functionally most significant SNPs, among which 17 were highly conserved and functional, 17 were highly conserved and structural residues. Among 45 most significant SNPs, 15 were predicted to be involved in post translational modifications. The p.Gly165Arg may interfere in homodimer interface formation. The p.Asn439Lys and p.Asp445Asn may interfere in binding interactions of MTHFD1 protein with cesium cation and potassium. The two SNPs (p.Asp562Gly and p.Gly637Cys) might interfere in interactions of MTHFD1 with ligand.     

A novel sub-pilot-scale direct-contact ultrasonic dehydration technology for sustainable production of distillers dried grains (DDG)

DDG is a major source of protein, calcium, phosphorus, and sulfur is arguably the most important byproduct of the bioethanol industry with increasing demand over the past few years. Reducing energy consumption in the DDG production process and energy recovery from DDG is vital for sustainable bioethanol productions. In this paper, a novel direct-contact multi-frequency, multimode, and modulated (MMM) ultrasonic dryer (US) was developed for the first time and has been applied in dehydration of wet distillers’ grain (WDG). Ultrasonic drying (US) was combined with a convective airflow (HA) at different temperatures of 25 (room temperature), 50 and 70 °C to evaluate the impact of US, HA, and US + HA on drying kinetics, activation energy, chemical compositions, microstructure, and color of DDG. Semi-empirical kinetic models were developed and evaluating drying performances showed that the application of ultrasound significantly enhanced the drying rate and decreased the drying time (by 46%), especially at low drying temperatures. The activation energy for moisture removal in the presence of ultrasound was about 50% of that without ultrasound. The final dried distillers' grains product processed by ultrasonic drying had a brighter color, a higher available protein, a higher digestible protein (the lowest acid detergent insoluble crude protein), and a better surface profile with no compromise on minerals and fiber contents.     

Ultrasound pretreatment of wheat dried distiller’s grain (DDG) for extraction of phenolic compounds

Wheat Dried distiller’s grain (DDG), a coproduct from the ethanol production process, is rich in potentially health-promoting phenolic compounds. In the extraction of phenolic compounds from DDG, the DDG cell wall is an important barrier for mass transfer from the inside to the outside of the cell. The effect of high-power ultrasound pretreatment on destruction of DDG cell walls and extraction yield and rate was investigated. Direct sonication by an ultrasound probe horn at 24 kHz was applied and factors such as ultrasound power and treatment time were investigated. The method of nitrogen (N₂) adsorption at 77 K was used as a means to determine and compare the changes in physical properties (specific surface area, pore volume and pore size) of the treated samples at different levels of ultrasound power and treatment time. Increasing specific surface area, pore volume and pore size caused by ultrasonic treatment implied development of new or larger pores and damaged cell walls. Also, it was observed that the ultrasound pretreatment of DDG particles increased the extraction yield and rate of phenolic compounds from DDG by 14.29%. Among tested ultrasound conditions, 100% ultrasound power for 30 s was evaluated as the best pretreatment condition.     

Superconvergence of the direct discontinuous Galerkin method for a time‐fractional initial‐boundary value problem

A time‐fractional reaction–diffusion initial‐boundary value problem with periodic boundary condition is considered on Q ? Ω × [0, T] , where Ω is the interval [0, l] . Typical solutions of such problem have a weak singularity at the initial time t = 0. The numerical method of the paper uses a direct discontinuous Galerkin (DDG) finite element method in space on a uniform mesh, with piecewise polynomials of degree k ≥ 2 . In the temporal direction we use the L1 approximation of the Caputo derivative on a suitably graded mesh. We prove that at each time level of the mesh, our L1‐DDG solution is superconvergent of order k + 2 in L²(Ω) to a particular projection of the exact solution. Moreover, the L1‐DDG solution achieves superconvergence of order (k + 2) in a discrete L²(Q) norm computed at the Lobatto points, and order (k + 1) superconvergence in a discrete H¹(Q) seminorm at the Gauss points; numerical results show that these estimates are sharp.     

A new approach for admissibility analysis of the direct discontinuous Galerkin method through Hilbert matrices

This article continues the study of the so‐called direct discontinuous Galerkin (DDG) method for diffusion problems as developed in [Liu and Yan, SIAM J Numer Anal 47 (2009), 475–698;, Liu and Yan, Commun Comput Phys 8 (2010), 541–564; C. Vidden and J. Yan, J Comput Math 31 (2013), 638–662; H. Liu, Math Comp (in press)]. A key feature of the DDG method lies with the numerical flux design which includes two (or more) free parameters. This article identifies the class of all admissible numerical flux choices (Theorem 2.2) for degree n polynomial approximations for the symmetric DDG method [C. Vidden and J. Yan, J Comput Math 31 (2013), 638–662], guaranteeing stability of the resulting method. Our main contribution is the new technique of analysis for the DDG admissibility condition. The strategy is to directly evaluate the admissibility condition (Lemma 2.4) by choosing a simple polynomial basis. The admissibility condition is then transformed into an eigenvalue problem resulting in showing needed properties of inverse Hilbert matrices (Lemma 2.3, Appendix). Numerical tests are provided to confirm theoretical results. © 2015 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 32: 350–367, 2016