On General Mixed Quasivariational Inequalities

In this paper, we suggest and analyze several iterative methods for solving general mixed quasivariational inequalities by using the technique of updating the solution and the auxiliary principle. It is shown that the convergence of these methods requires either the pseudomonotonicity or the partially relaxed strong monotonicity of the operator. Proofs of convergence is very simple. Our new methods differ from the existing methods for solving various classes of variational inequalities and related optimization problems. Various special cases are also discussed.     

Parametric Quintic-Spline Approach to the Solution of a System of Fourth-Order Boundary-Value Problems

In this paper, we use parametric quintic splines to derive some consistency relations which are then used to develop a numerical method for computing the solution of a system of fourth-order boundary-value problems associated with obstacle, unilateral, and contact problems. It is known that a class of variational inequalities related to contact problems in elastostatics can be characterized by a sequence of variational inequations, which are solved using some numerical method. Numerical evidence is presented to show the applicability and superiority of the new method over other collocation, finite difference, and spline methods.     

Some algorithms for hemiequilibrium problems

In this paper, we suggest and analyze a class of iterative methods for solving hemiequilibrium problems using the auxiliary principle technique. We prove that the convergence of these new methods either requires partially relaxed strongly monotonicity or pseudomonotonicity, which is a weaker condition than monotonicity. Results obtained in this paper include several new and known results as special cases.     

Modified Householder iterative method free from second derivatives for nonlinear equations

In this paper, we suggest and analyze a new two-step predictor–corrector type iterative method free from second derivatives for solving nonlinear equations of the type f(x)=0. This new method includes the two-step Newton method as a special case. We prove that the new iterative method is of fourth-order. Several examples are given to illustrate the efficiency of this new method and its comparison with other iterative methods. This method can be considered as a significant improvement of the Newton method and its variant forms.     

Iterative Schemes for Nonconvex Variational Inequalities

In this paper, we suggest and analyze some iterative methods for solving nonconvex variational inequalities using the auxiliary principle technique, the convergence of which requires either only pseudomonotonicity or partially relaxed strong monotonicity. Our proofs of convergence are very simple. As special cases, we obtain earlier results for solving general variational inequalities involving convex sets.     

Selected valence electron split-shell molecular orbital calculations on the diatomic interhalogen molecules

Selected valence electron split-shell molecular orbital calculations have been performed on the diatomic interhalogen molecules in order to obtain their binding energies, equilibrium internuclear distances, vibrational force constants, dipole moments and nuclear quadrupole coupling constants. The results are compared with the corresponding closedshell values and with those of some previous semiempirical and nonempirical all valence electron calculations. It is observed that the selected valence electron split-shell molecular orbital method which involves the least amount of computations yields results in better agreement with experiment than other methods.     

Screening of urban aerosol particulate composites for selected metal distribution and their dependence on meteorological parameters

Local atmospheric aerosol particulate samples, collected as composites on daily 6-12 hour basis, at Quaid-i-Azam University campus, Islamabad, Pakistan, using high volume sampling technique, were analysed for Pb, Na, K, Fe, Mn, Cd, Cr, Ni, Zn and Co by FAAS method. The monitoring period ran from October, 2001 through March, 2002, with a total of 105 samples collected on cellulose filters, treated in part with the HNO3-based wet digestion method for metal quantification, and for particle size distribution separately. The metal content of the aerosols was examined in relation to dependence on meteorological parameters, such as temperature, relative humidity, wind speed, sun shine and pan evaporation. Statistical correlation analysis was conducted for multiple metal pairs in aerosols, and the data were examined in relation to meteorological parameters and relevant aerosol particle size fractions. The study revealed no viable strong correlation between the meteorological parameters and metal levels; in general, however, a significant positive correlation was found for temperature. A strong positive correlation was observed for PM<25 and PM2.5-10. For coarse particles (PM10-100 and PM>100), however, a negative correlation was observed. The levels of Na, K, Fe and Zn were found in the range of 1-5 microg/m3 while those for the rest of the metals in the sub microg/m3 range. Principal component analysis and cluster analysis were performed on dataset for source identification and appointment. Largest contribution (33%) was shown by the industrial emissions followed by traffic/road dust (16.7%).     

Removal of oxygen from silicon by electron beam melting

Small amounts of multicrystalline silicon were melted in an electron beam furnace in different experimental conditions in order to investigate the oxygen evaporation behavior during the electron beam melting (EBM) process. The oxygen content level before and after EBM was determined by secondary ion mass spectroscopy. The oxygen content was reduced from 6.177 to 1.629 ppmw when silicon was melted completely at 15 kW with removal efficiency up to 73.6 %. After that, it decreased continually to <0.0517 ppmw when the refining time exceeded 600 s with a removal efficiency of more than 99.08 %. During the melting process, the evaporation rate of silicon is 1.10 × 10^?5 kg/s. The loss of silicon could be reduced up to 1.7 % during oxygen removal process to a desirable figure, indicating EBM is an effective method to remove oxygen from silicon and decrease the loss of silicon.     

Exploring the Potential of Metallodrugs as Chemotherapeutics for Triple Negative Breast Cancer

This review focuses on studies of coordination and organometallic compounds as potential chemotherapeutics against triple negative breast cancer (TNBC) which has one of the poorest prognoses and worst survival rates from all breast cancer types. At present, chemotherapy is still the standard of care for TNBC since only one type of targeted therapy has been recently developed. References for metal-based compounds studied in TNBC cell lines will be listed, and those of metal-specific reviews, but a detailed overview will also be provided on compounds studied in vivo (mostly in mice models) and those compounds for which some preliminary mechanistic data was obtained (in TNBC cell lines and tumors) and/or for which bioactive ligands have been used. The main goal of this review is to highlight the most promising metal-based compounds with potential as chemotherapeutic agents in TNBC.     

Split-shell molecular orbital calculations on the diatomic alkali metal molecules

Absolute g-tensor calculations for planar hydrocarbon and for non-planar phenyl substituted hydrocarbon radicals are reported. The relevant interactions determining g are discussed. Calculations are performed on the basis of a second-order perturbation expansion. The electronic wavefunctions are obtained from a simplified version of Hoffmann's extended Hückel model (SEH), where all valence electrons are taken into account explicitly. For planar systems the observed linear dependence of g on the energy of the half filled π orbital is well reproduced. A qualitative analysis of this dependence, making restrictive assumptions about the σ electrons, was given earlier by Stone. The calculations for non-planar model systems reproduce the g-factor anomalies which are observed for highly twisted phenyl substituted hydrocarbon radicals. The results show the necessity of direct π-σ mixing and are consistent with recent investigations of the proton hyperfine couplings in such systems.