An investigation of the growth of β-BaB2O4 crystals in the BaB2O4-NaF system and new fluoroborate Ba2Na3[B3O6]2F

Crystallography Reports - The phase formation in the BaB2O4-NaF cut has been investigated by the methods of solid-phase synthesis, visual polythermal analysis, and spontaneous crystallization on a...     

Novel metal complexes of boronated chlorin e6 for photodynamic therapy

Various structural modifications of chlorins are aimed at optimization of biomedical characteristics of these plant-derived tetrapyrrolic compounds. In particular, conjugation with boron polyhedra improves the efficacy of chlorin e₆ derivatives as antitumor photosensitizers. To obtain the compounds that may possess several clinically favorable characteristics, we synthesized a series of metal chlorin e₆ conjugates with 1-carba-closo-dodecaborate anion that contain Pd(II), Sn(IV) or Zn(II) in the coordination sphere of the chlorin macrocycle. The compounds were synthesized by alkylation of amino group in chlorin e₆ metal complexes with 1-trifluoromethanesulfonylmethyl-1-carba-closo-dodecaborate cesium. The water soluble Pd(II) complex of chlorin e₆ 13(1)-N-{2-[N-(1-carba-closo-dodecaboran-1-yl)methyl]aminoethyl}amide-15(2), 17(3)-dimethyl ester (compound 6) evoked low dark cytotoxicity; in striking contrast, 6 potently sensitized human tumor cells to illumination with monochromatic red light. Confocal microscopic studies demonstrated that photoactivation of 6 rapidly (within minutes) changed the patterns of intracellular drug distribution from diffuse cytoplasmic to clustered perinuclear. Co-localization experiments revealed that 6 associated with lysosomes in illuminated cells. These events were paralleled by alteration of mitochondrial shape, a decrease of mitochondrial transmembrane electric potential and the loss of plasma membrane impermeability for propidium iodide, the latter being a hallmark of cell necrosis. Similar mechanisms of cell photodamage were found for structurally close Pd(II) complex of chlorin with neutral carborane and for Sn(IV) chlorin conjugated with the anionic carborane. Thus, metal complexes of carboranylchlorins are efficient photosensitizers capable of triggering rapid necrosis. These compounds are promising for further development as multipotent agents in which each moiety, i.e., metal, the chlorin macrocycle and the boron substituent, as well as the entire complex, can be useful in cancer diagnostics and treatment.     

Production and spectroscopy of PbF and SiF radical molecules in low-pressure inductively coupled plasma

A method for producing PbF radical molecules with application of a low-pressure inductively coupled plasma is proposed. The emission spectra of PbF radical molecules have been recorded during decomposition of the PbF₂ compound in plasma. Simultaneously, during excitation of a discharge in a quartz tube, spectra of SiF molecules, excited upon interaction of free fluorine with the tube walls, were recorded. Quantum-mechanical calculation of the Franck-Condon factors has been perform to identify the observed spectra.     

Bilevel “Defender–Attacker” Model with Multiple Attack Scenarios

We consider a bilevel “defender-attacker” model built on the basis of the Stackelberg game. In this model, given is a set of the objects providing social services for a known set of customers and presenting potential targets for a possible attack. At the first step, the Leader (defender) makes a decision on the protection of some of the objects on the basis of his/her limited resources. Some Follower (attacker), who is also limited in resources, decides then to attack unprotected objects, knowing the decision of the Leader. It is assumed that the Follower can evaluate the importance of each object and makes a rational decision trying to maximize the total importance of the objects attacked. The Leader does not know the attack scenario (the Follower’s priorities for selecting targets for the attack). But, the Leader can consider several possible scenarios that cover the Follower’s plans. The Leader’s problem is then to select the set of objects for protection so that, given the set of possible attack scenarios and assuming the rational behavior of the Follower, to minimize the total costs of protecting the objects and eliminating the consequences of the attack associated with the reassignment of the facilities for customer service. The proposed model may be presented as a bilevelmixed-integer programming problem that includes an upper-level problem (the Leader problem) and a lower-level problem (the Follower problem). The main efforts in this article are aimed at reformulation of the problem as some one-level mathematical programming problems. These formulations are constructed using the properties of the optimal solution of the Follower’s problem, which makes it possible to formulate necessary and sufficient optimality conditions in the form of linear relations.