objective(s):cervical cancer is a malignancy that is the second most common cause of death from cancer in women throughout the world. paederus beetle (paederus fuscipes) extract (pbe), contains bioactive compounds such as pederine which has cytotoxic properties and blocks dna and protein synthesis at very low concentrations. in this investigation we tried to determine the effects co-treatment w...

The alkylation of benzene by ethene over H-ZSM-5 is analyzed by means of a hybrid MP2:DFT scheme. Density functional calculations applying periodic boundary conditions (PBE functional) are combined with MP2 energy calculations on a series of cluster models of increasing size which allows extrapolation to the periodic MP2 limit. Basis set truncation errors are estimated by extrapolation of the M...

in this work, we dissect the performance of  two modern perdew-burke-ernzerhof (pbe)-based double-hybrid (dh) density functionals to predict the isotropic and anisotropic polarizabilities of water nanoclusters (h2o)n [n = 2-6]. the considered models include the cubic integrand (ci) and quadratic integrand (qi) functions as well as the spin-opposite-scaled (sos) scheme for perturbative correlati...

In programming by example (PBE; also sometimes called programming by demonstration) systems, the system records actions performed by a user in the interface and produces a generalized program that can be used later in analogous examples. A key issue is how to describe the actions and objects selected by the user, which determines what kind of generalizations will be possible. When the user sele...

The aim of this study was to evaluate the effects of tannic acid (TA) and pistachio by-product tannin extract (PBE) on N utilization and efficiency of microbial nitrogen synthesis (EMNS) in Saanen dairy goats. The experimental design was a change over design with three treatments and three periods using six mid lactation multiparous dairy goats. Tannic acid solution and PBE were added to fresh ...

In this work, we dissect the performance of  two modern Perdew-Burke-Ernzerhof (PBE)-based double-hybrid (DH) density functionals to predict the isotropic and anisotropic polarizabilities of water nanoclusters (H2O)n [n = 2-6]. The considered models include the cubic integrand (CI) and quadratic integrand (QI) functions as well as the spin-opposite-scaled...

The Kutch Earthquake of January 26, 2001 in Gujarat, India, caused the destruction of a large number of modern 4 to 10-storied buildings. After this earthquake, doubts arose about our professional practices, building by-laws, construction materials, building codes and education for civil engineers and architects. It led to large number of short-term courses and workshops, revision of the seismi...

electrostatic potential as well as the local volume charge density are computed for a macromolecule by solving the poisson-boltzmann equation (pbe) using the finite element method (fem). as a verification, our numerical results for a one dimensional pbe, which corresponds to an infinite-length macromolecule, are compared with the existing analytical solution and good agreement is found. as a ma...

The Lieb-Oxford bound is a constraint upon approximate exchange-correlation functionals. We explore a nonempirical tightening of that bound in both universal and electron number-dependent form. The test functional is PBE. Regarding both atomization energies (slightly worsened) and bond lengths (slightly improved), we find the PBE functional to be remarkably insensitive to the value of the Lieb-...