3-amino-1,2,4-benzotriazine 4-oxide: characterization of a new metabolite arising from bioreductive processing of the antitumor agent 3-amino-1,2,4-benzotriazine 1,4-dioxide (tirapazamine).

Tirapazamine (1) is a promising antitumor agent that selectively causes DNA damage in hypoxic tumor cells, following one-electron bioreductive activation. Surprisingly, after more than 10 years of study, the products arising from bioreductive metabolism of tirapazamine have not been completely characterized. The two previously characterized metabolites are 3-amino-1,2,4-benzotriazine 1-oxide (3) and 3-amino-1,2,4-benzotriazine (5). In this work, 3-amino-1,2,4-benzotriazine 4-oxide (4) is identified for the first time as a product resulting from one-electron activation of the antitumor agent tirapazamine by the enzymes xanthine/xanthine oxidase and NADPH:cytochrome P450 oxidoreductase. As part of this work, the novel N-oxide (4) was unambiguously synthesized and characterized using NMR spectroscopy, UV-vis spectroscopy, LC/MS, and X-ray crystallography. Under conditions where the parent drug tirapazamine is enzymatically activated, the metabolite 4 is produced but readily undergoes further reduction to the benzotriazine (5). Thus, under circumstances where extensive reductive metabolism occurs, the yield of the 4-oxide (4) decreases. In contrast, the isomeric two-electron reduction product 3-amino-1,2,4-benzotriazine 1-oxide (3) does not readily undergo enzymatic reduction and, therefore, is found as a major bioreductive metabolite under all conditions. Finally, the ability of the 4-oxide metabolite (4) to participate in tirapazamine-mediated DNA damage is considered.     

Self-Assembled Nanofibrillar Aggregates with Amphiphilic and Lipophilic Molecules

Summary: This article gives a review on self-assembled nanofibrillar aggregates such as helical, twisted ribbon-like and tubular forms, those are produced in aqueous bilayer membrane and organogel systems. Two common features necessary for the chemical structure that yields special morphology are a chiral carbon atom and moieties feasible for intermolecular interactions although there are some exceptions. In aqueous systems, a hydrophobic effect is also an essential driving force for molecular aggregates in aqueous solution systems but almost disappear in organic media. More positive intermolecular interactions play an important role in molecular aggregation in organic media. Hydrogen bonding interaction is especially effective and many organogelators are classified into this category. Some lipophilic peptides have been investigated not only as organogelators but also with respect to their self-assembling behaviors. This latter property gives them distinct advantages compared with conventional gel systems because the gels include highly-ordered structures supramolecular functions like aqueous lipid membranes through molecular orientation. This article also introduces applicability of the organogel system.     

IR,Raman and SERS spectra of 3,5‐dinitrosalicylic acid

IR, Raman and surface enhanced Raman scattering (SERS) spectra of 3,5‐dinitrosalicylic acid (DNSA) were recorded and analysed. The vibrational wavenumbers were computed by the ab initio method using RHF/6–21G* basis and they were found to be in good agreement with the experimental values. The effect of the concentration dependence on the SERS intensity of the molecule was studied. The molecular plane assumes a tilted orientation with respect to the silver surface. Copyright © 2006 John Wiley & Sons, Ltd.     

Surface Functionalization of Magnetite Nanoparticles with Multipotent Antioxidant as Potential Magnetic Nanoantioxidants and Antimicrobial Agents

Functionalized magnetite nanoparticles (Fe₃O₄) were prepared using the coprecipitation method followed by functionalization with a multipotent antioxidant (MPAO). The MPAO was synthesized and analyzed using FTIR and NMR techniques. In this study, the functionalized nanoparticles (IONP@AO) were produced and evaluated using the FTIR, XRD, Raman, HRTEM, FESEM, VSM, and EDX techniques. The average determined particle size of IONP@AO was 10 nanometers. In addition, it demonstrated superparamagnetic properties. The magnitude of saturation magnetization value attained was 45 emu g⁻¹. Virtual screenings of the MPAO’s potential bioactivities and safety profile were performed using PASS analysis and ADMET studies before the synthesis step. For the DPPH test, IONP@AO was found to have a four-fold greater ability to scavenge free radicals than unfunctional IONP. The antimicrobial properties of IONP@AO were also demonstrated against a variety of bacteria and fungi. The interaction of developed nanoantioxiants with biomolecules makes it a broad-spectrum candidate in biomedicine and nanomedicine.     

Unusual Surface Latent Heat Flux Variations and Their Critical Dynamics Revealed before Strong Earthquakes

We focus on the possible thermal channel of the well-known Lithosphere–Atmosphere–Ionosphere Coupling (LAIC) mechanism to identify the behavior of thermal anomalies during and prior to strong seismic events. For this, we investigate the variation of Surface Latent Heat Flux (SLHF) as resulting from satellite observables. We demonstrate a spatio-temporal variation in the SLHF before and after a set of strong seismic events occurred in Kathmandu, Nepal, and Kumamoto, Japan, having magnitudes of 7.8, 7.3, and 7.0, respectively. Before the studied earthquake cases, significant enhancements in the SLHF were identified near the epicenters. Additionally, in order to check whether critical dynamics, as the signature of a complex phenomenon such as earthquake preparation, are reflected in the SLHF data, we performed a criticality analysis using the natural time analysis method. The approach to criticality was detected within one week before each mainshock.     

Synthesis and characterization of radiation grafted films for removal of arsenic and some heavy metals from contaminated water

Grafting of styrene/maleic anhydride and methyl methacrylate/maleic anhydride binary monomers onto the low density polyethylene film was performed using the γ-ray irradiation technique. Then, the synthesized grafted films were treated with different ammonia derivatives for developing chelating functionalization. These chelating products were characterized by the gravimetric method as well as by the Fourier transformed infrared spectroscopic method, and were used for removal of arsenic and some heavy metals from aqueous solutions. The optimum absorbed dose of 30 kGy reveals the graft yielding of about 325% in the films. Uptake of arsenic and some heavy-metal ions (Cr(III), Mn(II), Fe(III), Ni(II), Cu(II) and Pb(II)) from contaminated water by the chelating functionalized films (CFF) was examined by an atomic absorption spectrophotometer. The maximum arsenic removal capacity of 5062 mg/kg has been observed for the film treated with hydroxylamine hydrochloride. The CFF prepared by semicarbazide and thiol analogs show affinity toward the metal ions with an order: Cu(II)>Fe(III)>Mn(II) etc. The results obtained from this study indicate that the functionalized films show good chelating and ion-exchange property for metal ions.     

Preparation of Hierarchical Porous Activated Carbon from Banana Leaves for High-performance Supercapacitor: Effect of Type of Electrolytes on Performance

We demonstrate a facile efficient way to fabricate activated carbon nanosheets (ACNSs) consisting of hierarchical porous carbon materials. Simply heating banana leaves with K₂CO₃ produce ACNSs having a unique combination of macro-, meso- and micropores with a high specific surface area of ∼1459 m² g⁻¹. The effects of different electrolytes on the electrochemical supercapacitor performance and stability of the ACNSs are tested using a two-electrode system. The specific capacitance (C_sp) values are 55, 114, and 190 F g⁻¹ in aqueous 0.5 M sodium sulfate, organic 1 M tetraethylammonium tetrafluoroborate in acetonitrile, and pure ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF₆]) electrolytes, respectively. The ACNSs also shows the largest potential window of 3.0 V, the highest specific energy (59 Wh kg⁻¹) and specific power (750 W kg⁻¹) in [BMIM][PF₆]. A mini-prototype device is prepared to demonstrate the practicality of the ACNSs.     

The CWKB Method of Particle Production in a Periodic Potential

In this work we study the particle production in time dependent periodic potential using the method of complex time WKB (CWKB) approximation. In the inflationary cosmology at the end of the inflationary stage, the potential becomes time dependent as well as periodic. Reheating occurs due to particle production by the oscillating inflaton field. Using CWKB we obtain almost identical results on catastrophic particle production as obtained by others.     

Morphology of growing interfacial patterns

A study is made of the morphology of the interfacial patterns in the solid-on-solid model evolving from initial states very far from equilibrium. Monte Carlo simulation is used to study the time dependence of the length, the diffuseness, and the width of the interface during such evolution in the absence as well as in the presence of quenched random field. Moreover, the technique of Walsh-Fourier transform is introduced for analyzing the noise level in such interfacial patterns. A quantity is also introduced that characterizes the interfacial structure locally on a very short length scale. Finally, the latter technique is also applied to the kinetic Ising model evolving from a random initial configuration.     

Variational approach to the Hamiltonian structure of a new hierarchy of nonlinear equations

We determine the symplectic Hamiltonian structure associated with the nonlinear evolution equations obtained from two new isospectral problems. We follow the method of variation with respect to the field variables. An explicit example is given to demonstrate the new class of equations that are generated.