Numerical optimisation of chemotherapy dosage under antiangiogenic treatment in the presence of drug resistance

We consider a two-compartment model of chemotherapy resistant tumour growth under angiogenic signalling. Our model is based on the one proposed by Hahnfeldt et al. (1999), but we divide tumour cells into sensitive and resistant subpopulations. We study the influence of antiangiogenic treatment in combination with chemotherapy. The main goal is to investigate how sensitive are the theoretically optimal protocols to changes in parameters quantifying the interactions between tumour cells in the sensitive and resistant compartments, that is, the competition coefficients and mutation rates, and whether inclusion of an antiangiogenic treatment affects these results. Global existence and positivity of solutions and bifurcations (including bistability and hysteresis) with respect to the chemotherapy dose are studied. We assume that the antiangiogenic agents are supplied indefinitely and at a constant rate. Two optimisation problems are then considered. In the first problem a constant, indefinite chemotherapy dose is optimised to maximise the time needed for the tumour to reach a critical (fatal) volume. It is shown that maximum survival time is generally obtained for intermediate drug dose. Moreover, the competition coefficients have a more visible influence on survival time than the mutation rates. In the second problem, an optimal dosage over a short, 30-day time period, is found. A novel, explicit running penalty for drug resistance is included in the objective functional. It is concluded that, after an initial full-dose interval, an administration of intermediate dose is optimal over a broad range of parameters. Moreover, mutation rates play an important role in deciding which short-term protocol is optimal. These results are independent of whether antiangiogenic treatment is applied or not.     

Current air quality analytics and monitoring: A review

This review summarizes the different tools and concepts that are commonly applied in air quality monitoring. The monitoring of atmosphere is extremely important as the air quality is an important problem for large communities. Main requirements for analytical devices used for monitoring include a long period of autonomic operation and portability. These instruments, however, are often characterized by poor analytical performance. Monitoring networks are the most common tools used for monitoring, so large-scale monitoring programmes are summarized here. Biomonitoring, as a cheap and convenient alternative to traditional sample collection, is becoming more and more popular, although its main drawback is the lack of standard procedures. Telemonitoring is another approach to air monitoring, which offers some interesting opportunities, such as ease of coverage of large or remote areas, constituting a complementary approach to traditional strategies; however, it requires huge costs.     

The Model of “Minimal Oscillator” Derived from the Kinetic Mechanism of the H2O2–NaSCN–NaOH–CuSO4 Dynamical System

Dissipative chemical reactions, which involve oscillatory variations of the concentrations of the intermediates in time, are usually characterized with complicated kinetic mechanisms. However, the essential source of the oscillations can often be reduced to only a few reaction steps providing the alternative domination of the positive and negative feedback loops. In an extreme case such a reduction leads to the so–called “minimal oscillator,” the concept used in the past for the well‐known Belousov‐Zhabotinsky (BZ) reaction. In the present work, we construct such a minimal system for the (discovered by M. Orbán) H₂O₂–NaSCN–NaOH–CuSO₄ homogeneous oscillator, in which instabilities originate from kinetic mechanism substantially different from that proposed for the BZ system. The methodology involves intuitive analysis of the reaction mechanism, supported by numerical calculations and spectrophotometric measurements. We show how the actual, only three‐variable model evolves from our previously elaborated: nine‐ and five–variable mechanisms and prove that its further reduction to two–variable one is not possible. Thus the present work is a final step in our searches for the “minimal Orbán oscillator”.     

A Mechanistic Study on the Oxidative Degradation of Dibenzazepine Derivatives by Manganese(III) Complexes in Acidic Sulfate Media

The oxidative degradation of tricyclic antidepressants (TCA) was studied in the presence of a large excess of the oxidizing agent manganese(III) and its reduced form manganese(II) sulfate in acidic media. The products were detected and identified using UV–vis, ESI‐MS, IR, and EPR methods. The mechanism of the reaction was studied for the following two classes of TCA: 10,11‐dihydro‐5H‐dibenz[b, f]azepines and dibenz[b, f]azepines. The oxidative degradation between dibenz[b, f]azepines and the manganese(III) ions resulted in the formation of substituted acridine with the same substituent as in the origin dibenz[b, f]azepine derivative. The pseudo–first‐order rate constants (k_obs) were determined for the degradation process. The dependences of the observed rate constants on the [Mn^III] with a zero intercept were linear. The reaction between 10,11‐dihydro‐5H‐dibenz[b, f]azepines, and the manganese(III) sulfate ion resulted in oxidative dehydrogenation, which proceeded via the formation of the following two intermediates: a free organic radical and a dimer. Further oxidation of the second intermediate led to a positively charged radical dimer as the single final product. Linear dependences of the pseudo–first‐order rate constants (k_obs) on the [Mn^III] with a zero intercept were established for the degradation of 10,11‐dihydro‐5H‐dibenz[b, f]azepines. The observed rate constants were dependent on the [H⁺] and independent of the [TCA] within the excess concentration range of the manganese(III) complexes used in the isolation method. The radical product of the degradation of 10,11‐dihydro‐5H‐dibenz[b, f]azepines was not stable in the aqueous solution and was subsequently transformed to a nonradical dimer in the next slower step. The observed rate constants were independent of the [Mn^III], independent of the [H⁺] and increased slightly with increasing TCA concentrations when TCA was used in excess. The mechanistic consequences of all of these results are discussed.     

Minimal Hermite-Type Eigenbasis of the Discrete Fourier Transform

There exist many ways to build an orthonormal basis of \(\mathbb {R}^N\), consisting of the eigenvectors of the discrete Fourier transform (DFT). In this paper we show that there is only one such orthonormal eigenbasis of the DFT that is optimal in the sense of an appropriate uncertainty principle. Moreover, we show that these optimal eigenvectors of the DFT are direct analogues of the Hermite functions, that they also satisfy a three-term recurrence relation and that they converge to Hermite functions as N increases to infinity.

     

On approximate mathematical modeling of the vapor–liquid coexistence curves by the Van der Waals equation of state and non-classical value of the critical exponent

Van der Waals equation of state as well as power laws and critical exponent theories are prototypes to study the cubic shape, asymmetries and “flatness” of the vapor–liquid equilibrium curves near the critical point. In this work we study two similar methods to determine the phase curves in analytical form, which differ from each other by simplicity of mathematical calculation. We analyze temperature dependence of the coexistence curves asymptotically close to the vapor–liquid critical point. We explain the novelty of our method with respect to the standard thermodynamic limit discussed in the literature. Therefore we show that the shape of the coexistence curves can strongly influence the accepted value of the critical exponent. The results of theoretical studies have been compared with the ones obtained by experimental methods.     

Structure and thermal properties of the fritted glazes in SiO<Subscript>2</Subscript>–Al<Subscript>2</Subscript>O<Subscript>3</Subscript>–CaO–MgO–Na<Subscript>2</Subscript>O–K<Subscript>2</Subscript>O–ZnO system

In this work, the structure and thermal properties of aluminosilicate fritted glazes in SiO₂–Al₂O₃–CaO–MgO–Na₂O–K₂O–ZnO system with (4.0 mol%) and without addition of ZnO were examined by GIXRD, FTIR, MAS-NMR and thermal methods (DTA, DIL). It has been found that the all experimental glazes are amorphous material (transparent glazes). On the base of spectroscopic investigations, it was found that zinc ions exist in the network glazes in the octahedral coordination—Zn²⁺ ions play a network modifier role in structure of glazes. An analysis of the data obtained from thermal tests showed that addition of ZnO into chemical composition results in decrease in glass transition temperature value (T _g) for all glazes (DTA, DIL). The coefficient of thermal expansion (α) is decreased as the whole measurement range for one series of fritted glazes.