Sorption of methanol,dimethyl carbonate,methyl acetate,and acetone vapors in CTA and PTMSP: General findings from the GAB Analysis

Sorption of vapors of four organic compounds in two glassy polymers, cellulose triacetate (CTA) and poly[(trimethylsilyl)propyne] (PTMSP), has been reported and analyzed in terms of Guggenheim‐Anderson‐De Boer (GAB) model. These two structurally and physicochemically different glassy polymers both independently showed that one sorption site was formed by about three monomeric units. This finding held true for vapors of all characterized compounds; that is, for methanol, for its derivatives dimethyl carbonate and methyl acetate, and for acetone. The “rule of three” might thus also be applicable to other sorbates and glassy polymers. Further, an original modification of the GAB model for the sorption of alcohols in PTMSP was derived and successfully tested. Overall, the analyses of the sorption isotherms, heats of sorption and diffusion coefficients supported the view that the sorption of vapors in glassy polymers has adsorptive nature. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016 , 54, 561–569     

Non‐enzymatic Ribonucleotide Reduction in the Prebiotic Context

Model studies of prebiotic chemistry have revealed compelling routes for the formation of the building blocks of proteins and RNA, but not DNA. Today, deoxynucleotides required for the construction of DNA are produced by reduction of nucleotides catalysed by ribonucleotide reductases, which are radical enzymes. This study considers potential non‐enzymatic routes via intermediate radicals for the ancient formation of deoxynucleotides. In this context, several mechanisms for ribonucleotide reduction, in a putative H₂S/HS^. environment, are characterized using computational chemistry. A bio‐inspired mechanistic cycle involving a keto intermediate and HSSH production is found to be potentially viable. An alternative pathway, proceeding through an enol intermediate is found to exhibit similar energetic requirements. Non‐cyclical pathways, in which HSS^. is generated in the final step instead of HS^., show a markedly increased thermodynamic driving force (ca. 70 kJ mol^?1) and thus warrant serious consideration in the context of the prebiotic ribonucleotide reduction.     

Reactivity of a N-Coordinated Germylene-Borane Complex: From Ge→B to Ge→Ga Coordination

Reactivity studies of the Ge^II→B complex L(Cl)Ge⋅BH₃ ( 1 ; L=2-Et₂NCH₂-4,6-tBu₂-C₆H₂) were performed to determine the effect on the Ge^II→B donation. N-coordinated compounds L(OtBu)Ge⋅BH₃ ( 2 ) and [LGe⋅BH₃]₂ ( 3 ) were prepared. The possible tuning of the Ge^II→B interaction was proved experimentally, yielding compounds 1-PPh₂-8-(LGe)-C₁₀H₆ ( 4 ) and L(Cl)Ge⋅GaCl₃ ( 5 ) without a Ge^II→B interaction. In 5 , an unprecedented Ge^II→Ga coordination was revealed. The experimental results were complemented by a theoretical study focusing on the bonding in 1 − 5 . The different strength of the Ge^II→E (E=B, Ga) donation was evaluated by using energy decomposition analysis. The basicity of different L(X)Ge groups through proton affinity is also assessed.     

Symmetry nonintegrability for extended K(m, n, p) equation

Journal of Mathematical Chemistry - In the present paper we study symmetries of extended K(m, n, p) equations and prove that the equations from this class have no generalized...     

Correlation between Quantum Entanglement and Quantum Coherence in the Case of XY Spin Chains with the Dzyaloshinskii–Moriya Interaction

Journal of Experimental and Theoretical Physics - Recently, there has been an increased interest in studying quantum entanglement and quantum coherence. Since both of these properties are...     

Syntheses,Characterizations and Crystal Structures of Two New Racemic Amidophosphoesters: rac-(C6H5O)(cyclo-C6H11NH)P(O)N(C4H8)NP(O)(NH-cyclo-C6H11)(OC6H5) and rac-(p-CH3-C6H4NH)P(O)(OC6H4-p-CH3)(OC6H5)

Crystallography Reports - The new racemic compounds, rac-diphenyl bis(cyclo-hexylamido)(piperazine)-1,4-diyldiphosphinate, C28H42N4O4P2 (I), and...     

Strong cliques in vertex-transitive graphs

A clique (resp, independent set) in a graph is strong if it intersects every maximal independent set (resp, every maximal clique). A graph is clique intersect stable set (CIS) if all of its maximal cliques are strong and localizable if it admits a partition of its vertex set into strong cliques. In this paper we prove that a clique $C$ in a vertex-transitive graph $\mathrm{\Gamma }$ is strong if and only if $\text{◂=▸}\text{◂⋅▸}\mid C\mid \mid I\mid =\mid V\left(\mathrm{\Gamma }\right)\mid$ for every maximal independent set $I$ of $\mathrm{\Gamma }$. On the basis of this result we prove that a vertex-transitive graph is CIS if and only if it admits a strong clique and a strong independent set. We classify all vertex-transitive graphs of valency at most 4 admitting a strong clique, and give a partial characterization of 5-valent vertex-transitive graphs admitting a strong clique. Our results imply that every vertex-transitive graph of valency at most 5 that admits a strong clique is localizable. We answer an open question by providing an example of a vertex-transitive CIS graph which is not localizable.