A Direct Fourier Transform Infrared Spectroscopic Comparison of the Plasma- and Thermally-Driven Reaction of CO<Subscript>2</Subscript> at Macor

This paper reports the appraisal of two in situ Fourier Transform InfraRed plasma cells with respect to the interrogation of the glow of a non-thermal plasma (using a transmission cell), and the non-thermal plasma/solid (i.e. dielectric/catalyst) interface (with a reflectance cell). The paper also reports, for the first time, a direct comparison of the IR spectroscopy of plasma- and thermally-driven chemistry. The system chosen for study was the reduction of CO₂ as there is a wealth of data in the literature for comparison. The catalyst was Macor, a ceramic material comprising primarily Al, Si and Mg oxides. In both the thermal and plasma experiments, rotationally-excited CO₂ (\( {\text{CO}}_{2}^{*} \)) was observed: in the plasma system, rotationally-excited CO (CO*) was produced via the reduction of CO₂. Using the transmission cell, the conversion of CO₂ to CO was estimated and found to be up to 9% at energy efficiencies of ca. 1–2%, in line with the literature. No reaction of CO₂ was observed in the thermal system. The data obtained using the reflectance cell were similar to those obtained with the transmission cell, with the minor differences reflecting the longer residence time and higher specific input energy. Interestingly, two plasma-induced bands were observed in the reflectance experiments which increased in intensity with time and input power: these may be due transverse and longitudinal optical modes of SiO₂ and did not appear to participate in the observed chemistry.     

Solvent effect on the absorption spectra ofN-2,6-trichlorobenzoquinonimine

The absorption spectra of solutions ofN-2,6-trichlorobenzoquinonimine in organic solvents of varying polarities are investigated. The ability of the compound to form molecular complexes in ethanol is discussed. The stability constants of the molecular complexes are determined from the spectra in mixed solvents. The equilibrium constant of the reaction involving the acquisition of a proton by the solute is calculated in water and in water—acetone mixtures.

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Lösungsmitteleffekte auf das Absorptionsspektrum vonN-2,6-trichlorbenzochinonimin

Zusammenfassung Die Absorptionsspektren wurden in Lösungsmitteln verschiedener Polarität untersucht und die Fähigkeit zur Bildung von Molekülkomplexen des Substrats in Ethanol diskutiert, wobei die Stabilitäskonstanten aus Messungen in Lösungsmittelgemischen errechnet wurden. Die Gleichgewichtskonstanten der Protonierung in Wasser und Wasser—Aceton wurden ebenfalls bestimmt.

     

3-[2-(3,5-dimethylpyrazolyl)] succinic anhydride: Synthone for the synthesis of some heterocycles with potential pharmaceutical activity

Summary Aminolysis of 3-[2-(3,5-dimethylpyrazolyl)] succinic anhydride (1) leads to5. Hydrazine hydrate reacts with1a to give 4-(3,5-dimethylpyrazolyl)-1,2,4,5-tetrahydro-3,6-pyridazindione. The structures were confirmed by IR, MS,¹H and¹³C NMR.

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3-[2-(3,5-Dimethylpyrazolyl)]-succinanhydrid, ein Synthon für die Synthese einiger Heterocyclen mit potentieller pharmazeutisch nutzbarer Aktivität

Zusammenfassung Die Aminolyse von 3-[2-(3,5-Dimethylpyrazolyl)]-succinanhydrid (1) führt zu5. Hydrazinhydrat reagiert mit1a zu 4-(3,5-Dimethylpyrazolyl)-1,2,4,5-tetrahydro-3,6-pyridazindion. Die Strukturen wurden mittels IR, MS,¹H-NMR und¹³C-NMR überprüft.

     

Blood Coagulation and Living Tissue Sterilization by Floating-Electrode Dielectric Barrier Discharge in Air

Thermal plasma discharges have been widely used in the past for treatment of living human and animal tissue. However, extensive thermal damage and tissue desiccation occurs due to extreme temperatures. Some solutions have been offered where the temperature is lowered by short current pulses, addition of noble gases, or significant decrease in the size of treatment electrodes. We propose a method of direct treatment of living tissue that occurs at room temperature and pressure without visible or microscopic tissue damage. The presented Floating-Electrode Dielectric Barrier Discharge plasma is proven electrically safe to human subjects and our results show no gross (visual) or histological (microscopic) damage to skin samples in minutes, complete tissue sterilization from skin flora in seconds, and blood clot formation in seconds of electric plasma treatment. We also observe significant hastening of blood clot formation via electric plasma induced catalysis of “natural” processes occurring in human blood. A model describing these processes is offered.An erratum to this article can be found at     

Mindo/3 and mndo calculations of closed- and open-shell cations containing C,H, N,and O

Heats of formation of 119 closed- and open-shell carbocations calculated by the semiempirical quantum chemical methods MINDO/3 and MNDO are reported and compared with experimental data. With proper consideration of failures in specific areas, both methods can be used for the thermodynamics of carbocations containing C, H, N, and O. MINDO/3 predicts unrealistic values for nitrogen containing cations with nitrogen multiple bonds and is not suited for closed-shell cations containing oxygen. Saturated acyclic hydrocarbon radical cations often are computed with abnormally long CC bonds by MNDO. Otherwise, the standard deviation of the two methods is not very different, being in the range of ±13 kcal/mol. MINDO/3 tends to overestimate the cation stabilities, whereas MNDO calculates cations usually too high in energy. Some of the errors which were found in the calculations of the ions are related to the computed values for the parent neutral structures, but others are not.     

Photo- and Electroluminescence for TCNQ-amino Adducts

Abstract

Photoluminescence of TCNQ-amino adducts was studied to evaluate solid state samples of photoluminescence quantum yields. High PL quantum yields suggests that TCNQ-amino adducts should be an excellent organic light emitter. Electroluminescence of TCNQ-amino adducts was demonstrated for the first time.     

Biofabrication of iron oxide nanoparticles by leaf extract of Rhamnus virgata: Characterization and evaluation of cytotoxic,antimicrobial and antioxidant potentials

In the present study, plant‐mediated synthesis of iron oxide nanoparticles (IONPs) using leaves extract of Rhamnus virgata (Roxb.) as a potential stabilizing, reducing and chelating agent is reported. The biogenic IONPs are extensively characterized for their physical and biological properties. The morphology, structure and physicochemical properties of biogenic IONPs were characterized using ultraviolet spectroscopy, X‐ray diffraction, Fourier transform‐infrared analysis, scanning electron microscopy, energy‐dispersive spectroscopy, transmission electron microscopy, Raman spectroscopy and dynamic light scattering. The Scherrer equation deduced a mean crystallite size of ~20 nm for IONPs. Detailed in vitro biological activities revealed significant therapeutic potentials for IONPs. Potential antibacterial and antifungal activities are reported for IONPs. Bioinspired IONPs have shown potential results against HepG2 cells (IC₅₀: 13.47 μg/ml). Dose‐dependent cytotoxicity assays were revealed against Leishmania tropica (KMH₂₃) promastigotes (IC₅₀: 8.08 μg/ml) and amastigotes (IC₅₀: 20.82 μg/ml) using different concentrations of IONPs (1–200 μg/ml). The cytotoxic activity was also studied using brine shrimps, and their IC₅₀ value was calculated as 32.41 μg/ml. Significant antioxidant [TAC (51.4%), DPPH (79.4%) and total reducing power (62%)], protein kinase and alpha amylase inhibition assays were revealed. The biocompatibility assays using red blood cells (> 200 μg/ml) and macrophages (> 200 μg/ml) confirmed the biosafe nature of IONPs. In conclusion, bioinspired IONPs have shown potential biological applications and should be subjected to further research work to develop their nano‐pharmacological relevance in biomedical applications.     

Synthesis,Density Functional Theory Band Structure Calculations,Optical, and Photoelectrical Characterizations of the Novel (9‐Bromo‐3‐cyano‐5‐oxo‐1,5‐dihydro‐2H‐chromeno[4,3‐b]pyridin‐2‐ylidene)propanedinitrile

Ring transformation of 6‐bromochromone‐3‐carbonitrile ( 1 ) with malononitrile dimer in basic medium furnished the unexpected (9‐bromo‐3‐cyano‐5‐oxo‐1,5‐dihydro‐2H‐chromeno[4,3‐b]pyridin‐2‐ylidene)propanedinitrile ( 2 , BCOCPP ). Density functional theory, theoretical investigation of the electronic structure, geometries linear polarizability ?Δα? (Quadrupole moment), first‐order hyperpolarizability ?β? (Octapole moment), natural bonding orbital, molecular electrostatic potential contours, thermo‐chemical parameters, harmonic vibration frequencies, the FT‐IR spectrum of the compound ( 2 , BCOCPP ) in the solid phase was recorded, and time‐dependent density functional theory calculations at the B3LYP/6‐311G (d,p) level of theory, UV‐Vis spectra, in both ethanol and dioxane solvents have been employed for compound ( 2 , BCOCPP ). The geometrical and energetic parameters have been extensively investigated to reveal the reason behind the selective formation of compound ( 2 , BCOCPP ), instead of expected product 3 . The Coulomb‐attenuating method‐B3LYP and Corrected Linear Response Polarizable Continuum Model studied for theoretically obtaining the electronic absorption spectra in gas phase, ethanol, and dioxane, respectively, and indicate a good agreement with the observed spectra. The heterojunction based on BCOCPP showed phototransient properties under various illumination intensities that give the recommendation of the studied heterojunction in the field of optoelectronic device application.     

Symmetries of Type D Pure Radiation Fields

The geometrical symmetries corresponding to the continuous groups of collineations and motions generated by a null vector l are considered. These symmetries have been translated into the language of Newman-Penrose formalism for pure radiation (PR) type D fields. It is seen that for such fields, conformal, special conformal and homothetic motions degenerate to motion. The concept of free curvature, matter curvature and matter affine collineations have been introduced and the conditions under which PR type D fields admit such collineations have been obtained. Moreover, it is shown that the projective collineation degenerate to matter affine, special projective, conformal, special conformal, null geodesic and special null geodesic collineations. It is also seen that type D pure radiation fields admit Maxwell collineation along the propagation vector l.