A lexicographic minimax algorithm for multiperiod resource allocation

Resource allocation problems are typically formulated as mathematical programs with some special structure that facilitates the development of efficient algorithms. We consider a multiperiod problem in which excess resources in one period can be used in subsequent periods. The objective minimizes lexicographically the nonincreasingly sorted vector of weighted deviations of cumulative activity levels from cumulative demands. To this end, we first develop a new minimax algorithm that minimizes the largest weighted deviation among all cumulative activity levels. The minimax algorithm handles resource constraints, ordering constraints, and lower and upper bounds. At each iteration, it fixes certain variables at their lower bounds, and sets groups of other variables equal to each other as long as no lower bounds are violated. The algorithm takes advantage of the problem's special structure; e.g., each term in the objective is a linear decreasing function of only one variable. This algorithm solves large problems very fast, orders of magnitude faster than well known linear programming packages. (The latter are, of course, not designed to solve such minimax problems efficiently.) The lexicographic procedure repeatedly employs the minimax algorithm described above to solve problems, each of the same format but with smaller dimension.     

Creating new binding sites in ligands and metal complexes using the Negishi cross-coupling reaction

The Negishi cross-coupling reaction creates a new binding site in a ruthenium complex with high efficiency as exemplified by the synthesis of a heterodimetallic ruthenium-osmium complex.     

Green Synthesis of Zinc Oxide Nanoparticles Using Pomegranate Fruit Peel and Solid Coffee Grounds vs. Chemical Method of Synthesis,with Their Biocompatibility and Antibacterial Properties Investigation

This research aims to investigate the synthesis, characterization, and evaluation of the biocompatibility and antibacterial activity of novel zinc oxide (ZnO) nanoparticles (NPs) prepared by Punica granatum peel and coffee ground extracts as the reducing and capping agents. Chemically synthesized ZnONPs were prepared using zinc acetate dihydrate and sodium hydroxide as reducing precursors. ZnONPs were characterized using an ultraviolet-visible spectrophotometer (UV-VIS), X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM), and Fourier transform infrared (FTIR) spectroscopy. Peaks of UV spectra were 300 nm for ZnONPs_PPE, 320 nm (ZnONPs_CE), 290 nm, and 440 nm (ZnONP_Chem), thereby confirming ZnONPs formation. The X-ray diffractograms revealed their hexagonal structure. TEM micrographs of the biosynthesized ZnONPs revealed their hexagonal pattern and nanorod shape for ZnONPs_Chem with particle sizes of 118.6 nm, 115.7 nm, and 111.2 nm, respectively. The FTIR analysis demonstrated the presence of proteins, carboxyl, and hydroxyl groups on ZnONPs surfaces that act as reducing and stabilizing agents. ZnONP_Chem shows the antibacterial effect on Staphylococcus aureus, Enterobacter aerogenes, Pseudomonas aeruginosa, and Klebsiella pneumoniae. Punica peel and coffee ground extracts are effective reducing agents for green ZnONPs synthesis with a lower cytotoxic effect on Vero cells than ZnONPs_Chem with IC50 = 111, 103, and 93 μg/mL, respectively.     

Pharmacological Validation for the Folklore Use of Ipomoea nil against Asthma: In Vivo and In Vitro Evaluation

Oxidative stress is the key factor that strengthens free radical generation which stimulates lung inflammation. The aim was to explore antioxidant, bronchodilatory along with anti-asthmatic potential of folkloric plants and the aqueous methanolic crude extract of Ipomoea nil (In.Cr) seeds which may demonstrate as more potent, economically affordable, having an improved antioxidant profile and providing evidence as exclusive therapeutic agents in respiratory pharmacology. In vitro antioxidant temperament was executed by DPPH, TFC, TPC and HPLC in addition to enzyme inhibition (cholinesterase) analysis; a bronchodilator assay on rabbit’s trachea as well as in vivo OVA-induced allergic asthmatic activity was performed on mice. In vitro analysis of 1,1-Diphenyl-2-picrylhydrazyl radical (DPPH) expressed as % inhibition 86.28 ± 0.25 with IC₅₀ 17.22 ± 0.56 mol/L, TPC 115.5 ± 1.02 mg GAE/g of dry sample, TFC 50.44 ± 1.06 mg QE/g dry weight of sample, inhibition in cholinesterase levels for acetyl and butyryl with IC₅₀ (0.60 ± 0.67 and 1.5 ± 0.04 mol/L) in comparison with standard 0.06 ± 0.002 and 0.30 ± 0.003, respectively, while HPLC characterization of In.Cr confirmed the existence with identification as well as quantification of various polyphenolics and flavonoids i.e., gallic acid, vanillic acid, chlorogenic acid, quercetin, kaempferol and others. However, oral gavage of In.Cr at different doses in rabbits showed a better brochodilation profile as compared to carbachol and K⁺-induced bronchospasm. More significant (p < 0.01) reduction in OVA-induced allergic hyper-responses i.e., inflammatory cells grade, antibody IgE as well as altered IFN-α in airways were observed at three different doses of In.Cr. It can be concluded that sound mechanistic basis i.e., the existence of antioxidants: various phenolic and flavonoids, calcium antagonist(s) as well as enzymes’ inhibition profile, validates folkloric consumptions of this traditionally used plant to treat ailments of respiration.     

A theoretical approach to the thermochemistry of radical and anionic polymerizations of various unsaturated monomers

In this work, we have calculated the thermodynamic parameters of the first steps of the free radical and anionic polymerizations of various unsaturated monomers, using ab initio methods of quantum chemistry. The enthalpies and entropies of polymerization were estimated assuming that they correspond to those of the model reaction A  B(p) + HABAH(p′) → HABABAH(p′) where p and p′ stand for the physical state of the considered species. The enthalpies of polymerization were rationalized using the equation ΔH = −ΔΣ N_ABE_AB + SE(A  B) + SE(HABAH) − SE(HABABAH) where N_AB is the number of A  B bonds, E_AB the corresponding bond energy, − ΔΣ N_ABE_AB the variation of the sum of the bond energy terms, and SE(X) the thermodynamic stabilization energy of compound X. The preferential mode of polymerization of each monomer was derived from the enthalpies of the initiation and initial propagation steps of the two types of polymerization. Thus, we were able to make some comments concerning the feasibility of the polymerization of the monomers under consideration.