Banana-shaped mesogens: a new homologous series of compounds exhibiting the B7 mesophase

The synthesis and characterization of a new homologous series of compounds, the 2-cyano-1,3-phenylene bis[4-(4-n-alkoxyphenyliminomethyl)benzoates] derived from 2-cyanoresorcinol is reported. All the compounds are enantiotropic mesogens and exhibit the fascinating B₇ mesophase. The characterization of the mesophase was performed using polarizing optical microscopy, differential scanning calorimetry, X-ray diffraction and electro-optical studies.     

Electron spin resonance study of γ-irradiated poly(acrylic acid)

Electron spin resonance (ESR) spectra of poly(acrylic acid) (PAA) γ-irradiated in air at room temperature and recorded at room temperature and at liquid-nitrogen temperature have been studied to identify the radiation products. The ESR spectra are composed of eight lines with hyperfine splittings of 23 ± 1 G and 11 ± 1 G. The method of least-squares total curve fitting, employing the Lorentzian line shape function, to the observed spectra enabled the assignment of the spectra. Computed spectra obtained by the superposition of a singlet and the spectra due to chain radicals are considered to give the best fits to the observed ESR spectra. The singlet is assigned to the radicals COOH, and the component 10-line spectra are assigned to the chain radicals CH₃? CH? CH₂ ～ and/or ～ CH₂? CH? CH₂ ～. The observed change in line shape with temperature of the ESR spectra is attributed to the hindered oscillations of the methyl groups about the C_α? C_β bond axis of the chain radicals. The existence of the methyl groups is confirmed by the measurement of infrared absorption.     

Studies of phosphazenes. Aminolysis reactions of pentachloro(2′, 2′, 2′-triphenyl-phosphazen-1′-yl) cyclotriphosphazene,N3P3Cl5(NPPh3)

The reactions of pentachloro(2′, 2′, 2′-triphenylphosphazen-1′-yl)cyclotriphosphazene, N₃P₃Cl₅(NPPh₃), with primary and secondary amines have been investigated using diethyl ether, methyl cyanid or benzene as the solvent. The structures of the products obtained, N₃P₃Cl_5minus;nR_n(NPPh₃) [n = 1, R = NHMe, NHBu^t, NMe₂, NC₅H₁₀, NEt₂; n = 2, R = NMe₂, NC₅H₁₀, NEt₂; n = 3, R = NMe₂, NHBu^t; n = 5, R = NMe₂] are elucidated by ¹H and ³¹P NMR spectroscopy. The ? NPPh₃ substituent exerts a pronounced geminal directing influence on incoming secondary amino nucleophiles; compounds containing a ≡ PCl(NPPh₃) group are not formed at the bis and subsequent stages of chlorine replacement. The reactions that involve primary amines follow the pattern established for the analogous reactions of hexachlorocyclotriphosphazene. The effect of solvent and possible mechanism(s) are discussed.     

The force field of carbon suboxide

The complete force field for carbon suboxide has been evaluated. The optimum geometry, stretching and interaction force constants are obtained from a combination of the CNDO/force molecular orbital method and the compliance constant formalism.     

The Instability of Permanganate in orthophosphoric acid

Solutions of potassium permanganate in concentrated phosphoric acid (above 50%) are found to be unstable. The oxidation state of manganese is reduced from (VII) to (III) and oxygen is evolved during this process. The extent of decomposition of permanganate is found to be dependent on the concentration of the acid.     

Canady Cold Helios Plasma Reduces Soft Tissue Sarcoma Viability by Inhibiting Proliferation,Disrupting Cell Cycle,and Inducing Apoptosis: A Preliminary Report

Soft tissue sarcomas (STS) are a rare and highly heterogeneous group of solid tumors, originating from various types of connective tissue. Complete removal of STS by surgery is challenging due to the anatomical location of the tumor, which results in tumor recurrence. Additionally, current polychemotherapeutic regimens are highly toxic with no rational survival benefit. Cold atmospheric plasma (CAP) is a novel technology that has demonstrated immense cancer therapeutic potential. Canady Cold Helios Plasma (CHCP) is a device that sprays CAP along the surgical margins to eradicate residual cancer cells after tumor resection. This preliminary study was conducted in vitro prior to in vivo testing in a humanitarian compassionate use case study and an FDA-approved phase 1 clinical trial (IDE G190165). In this study, the authors evaluate the efficacy of CHCP across multiple STS cell lines. CHCP treatment reduced the viability of four different STS cell lines (i.e., fibrosarcoma, synovial sarcoma, rhabdomyosarcoma, and liposarcoma) in a dose-dependent manner by inhibiting proliferation, disrupting cell cycle, and inducing apoptosis-like cell death.     

The Structure of Hydrated Poly (D, L - Lactic Acid) Studied With X-Ray Diffraction and Molecular Simulation Methods

The effect of hydration on the molecular structure of amorphous poly (D, L-lactic acid) (PDLLA) with 50:50 L-to-D ratio has been studied by combining experiments with molecular simulations. X-ray diffraction measurements revealed significant changes upon hydration in the structure functions of the copolymer. Large changes in the structure functions at ~ 10 days of incubation coincided with the large increase in the water uptake from ~1 to ~40% and the formation of voids in the film. Computer modeling based on the recently developed TIGER2/TIGER3 mixed sampling scheme was used to interpret these changes by efficiently equilibrating both dry and hydrated models of PDLLA. Realistic models of bulk amorphous PDLLA structure were generated as demonstrated by close agreement between the calculated and the experimental structure functions. These molecular simulations were used to identify the interactions between water and the polymer at the atomic level including the change of positional order between atoms in the polymer due to hydration. Changes in the partial O-O structure functions, about 95% of which were due to water-polymer interactions, were apparent in the radial distribution functions. These changes, and somewhat smaller changes in the C-C and C-O partial structure functions, clearly demonstrated the ability of the model to capture the hydrogen bonding interactions between water and the polymer, with the probability of water forming hydrogen bonds with the carbonyl oxygen of the ester group being about four times higher than with its ether oxygen.     

Binary collision simulations of ion transmission through silicon single crystal films

Abstract

Computer simulation studies of the energy distribution of transmitted ions such as alpha-particles, He-, and B-ions through crystalline silicon, using the enhanced binary-collision cascade simulator MARLOWE, will be reviewed. The enhancement includes an additional electronic-energy loss (EEL) model which takes into account explicitly both the target electron density variation via the structure factors and the electron density of the projectile. Investigations of the stopping power for He ions and protons in silicon, at intermediate- and high-energies, based on the adapted EEL model and a velocity-dependent effective charge will be presented. The overall agreement between the calculated and experimentally determined stopping power data and the simulated and measured transmission spectra will be demonstrated. Effects of energy-loss straggling, core-electron contribution to the energy loss at high-energies and charge-state effects at low energies on the transmission spectra will also be discussed.