A critical analysis of the hand and Othmer-Tobias correlations

Carniti, P., Cori, L. and Ragaini, V., 1978. A Critical Analysis of the Hand and Othmer-Tobias Correlations. Fluid Phase Equilibria, 2: 39–47.The Hand (H) and Othmer-Tobias (OT) correlations are extensively analyzed on 83 aqueous and 26 non-aqueous ternary systems. Twenty solutropic systems are also included. 65% and 58% of the systems give a linear correlation coefficient greater than 0.99 for H and OT respectively.An analysis of the sensitivity to systematic or random errors demonstrates the H correlation to be highly insensitive. A remarkable insensitivity, although not completly for some systematic errors, is also demonstrated for the OT correlation. However there is sufficient proof that they are both unsuitable as a check of experimental data, even though they are used for this purpose.The relation, not necessarily linear, derived from the H correlation, log(x₃₂/x₂₂) vs. log(x₃₁/x₁₁) is useful in locating the plait point.     

Discovery of structurally diverse natural product antagonists of chemokine receptor CXCR3

The chemokines (CXCL9, CXCL10 and CXCL11) and associated CXCR3 receptor are expressed during the inflammatory process from multiple sclerosis, atherosclerosis or organ transplantation resulting in the recruitment of lymphocytes leading to tissue damage. It is hypothesized that blocking of the ligand/CXCR3 receptor interaction has potential to provide opportunity for development of agents that would block tissue rejection. In this paper, four classes of natural product inhibitors (IC₅₀ ranging 0.1–41 M) have been described that block the CXCR3 receptor interaction of IP-10 ligand. These include a cyclic thiopeptide (duramycin), polyketide glycosides (roselipins), steroidal glycosides (hypoglausin A and dioscin) and a novel alkyl pyridinium alkaloid that were isolated by bioassay-guided fractionation of the organic extracts derived from actinomycete, fungal, plant and marine sources and discovered using ¹²⁵ I IP-10/CXCR3 binding assay. Duramycin was the most potent with an IC₅₀ of 0.1 M. Roselipins 2A, 2B and 1A showed IC₅₀ values of 14.6, 23.5, and 41 M, respectively. Diosgenin glycosides dioscin, hypoglaucin A and kallstroemin D exhibited IC₅₀ values of 2.1, 0.47 and 3 M, respectively. A novel cyclic 3-alkyl pyridinium salt isolated from a sponge displayed a binding IC₅₀ of 0.67 M.     

C-H···π interactions in the CHBrF2···HCCH weakly bound dimer

The microwave spectra of four isotopologues of the CHBrF(2)···HCCH weakly bound dimer have been measured in the 6-18 GHz region using chirped-pulse and Balle-Flygare Fourier-transform microwave spectroscopy. Spectra of (13)CH(79)BrF(2) and (13)CH(81)BrF(2) monomers have also been measured, and spectroscopic constants are reported. Measurement of spectra for the (79)Br and (81)Br isotopologues of CHBrF(2) complexed with both (12)C(2)H(2) and (13)C(2)H(2) have allowed the determination of a structure with C(s) symmetry for this complex. CHBrF(2) interacts with the triple bond of acetylene via a C-H···π contact (R(H···π) = 2.670(8) ?) with the Br atom lying in the ab plane, located 3.293(40) ? from a hydrogen atom of the HCCH molecule. The structure of CHBrF(2)···HCCH has been compared with recently studied related acetylene complexes, including a comparison with (and further structural analysis of) the CHClF(2)···HCCH complex.     

Indecomposable permutations, hypermaps and labeled Dyck paths

Hypermaps were introduced as an algebraic tool for the representation of embeddings of graphs on an orientable surface. Recently a bijection was given between hypermaps and indecomposable permutations; this sheds new light on the subject by connecting a hypermap to a simpler object. In this paper, a bijection between indecomposable permutations and labeled Dyck paths is proposed, from which a few enumerative results concerning hypermaps and maps follow. We obtain for instance an inductive formula for the number of hypermaps with n darts, p vertices and q hyperedges; the latter is also the number of indecomposable permutations of Sn with p cycles and q left-to-right maxima. The distribution of these parameters among all permutations is also considered.     

Enhancement of the hydrolysis of geranyl pyrophosphate by bivalent metal ions. A model for enzymic biosynthesis of cyclic monoterpenes

Hydrolysis of geranyl pyrophosphate is catalyzed by salts of Mn²⁺ and involves C-O bond cleavage. The first order rate constants reach limiting values with [Mn²⁺] > 10^?2 M, and the most reactive species is GPP(Mn²⁺)₂ at the optimum pH of 6.5–7. The products are similar to those from acid hydrolysis except that more cyclic hydrocarbons are formed in the presence of metal ions. Hydrolysis of geranyl phosphate is inhibited, and that of citronnellyl pyrophosphate is weakly catalyzed by Mn²⁺. Other divalent metal cations catalyze the hydrolysis of geranyl pyrophosphate and the sequence of effectiveness is Cu²⁺ > Mn²⁺ > Zn²⁺ > Co²⁺ < Mg²⁺ ~ Ca²⁺.     

Proportional share analysis

The purpose of this paper is to generalize the theory of “equal share analysis”, developed by Selten in 1972, to the one in which every player has a positive weight. We show that for any positive vector of weights, α∈R ₊₊ ^N , it is always possible to find a coalition structure and a payoff vector forming a proportional regular configuration.