3β-Methoxyolean-18-ene (miliacin) from the marine fungus Chaetomium olivaceum

A pentacyclic tritepenoid, 3aq8y5ud/xxlarge946.gif" alt="beta" align="MIDDLE" BORDER="0">-methoxyolean-18-ene (miliacin), was isolated for the first time from the marine fungus Chaetomium olivaceum. Its structure was determined on the basis of 2D NMR spectroscopy and X-ray diffraction data.     

Novel and Efficient Oxidation of Benzyl Ethers to Benzaldehydes by DMSO/49% Aq. HBr

Dimethylsulfoxide (DMSO) oxidizes benzyl ethers into corresponding benzaldehydes at 110°C; the reaction is accelerated by 49% aq. HBr. The conditions work well for different aryl‐substituted benzyl ethers. This protocol is inert toward dialkyl ethers.     

Theoretical investigation on structural, magnetic and electronic properties of ferromagnetic GdN under pressure

The tight-binding linear muffin tin orbital (TB-LMTO) method within the local density approximation is used to calculate structural, electronic and magnetic properties of GdN under pressure. Both nonmagnetic (NM) and magnetic calculations are performed. The structural and magnetic stabilities are determined from the total energy calculations. The magnetic to ferromagnetic (FM) transition is not calculated. Magnetically, GdN is stable in the FM state, while its ambient structure is found to be stable in the NaCl-type (B₁) structure. We predict NaCl-type to CsCl-type structure phase transition in GdN at a pressure of 30.4 GPa. In a complete spin of FM GdN the electronic band picture of one spin shows metallic, while the other spin shows its semiconducting behavior, resulting in half-metallic behavior at both ambient and high pressures. We have, therefore, calculated electronic band structures, equilibrium lattice constants, cohesive energies, bulk moduli and magnetic moments for GdN in the B₁ and B₂ phases. The magnetic moment, equilibrium lattice parameter and bulk modulus is calculated to be 6.99 μ_B, 4.935 Å and 192.13 GPa, respectively, which are in good agreement with the experimental results.     

Osmotic and Activity Coefficients of CH3SO4Na(aq) and CH3SO4K(aq) at 25°C

The osmotic and activity coefficients of aqueous sodium and potassium methyl sulfates have been determined at 25°C by the isopiestic method, in the molality range from ca.0.2 to 25 and 19 mol-kg^–1, respectively. The results have been discussed in terms of the ion–ion and ion–water interactions on the basis of the Pitzer and Mayorga model and a method developed in our laboratory.     

Statistical physics of inference: thresholds and algorithms

Many questions of fundamental interest in today's science can be formulated as inference problems: some partial, or noisy, observations are performed over a set of variables and the goal is to recover, or infer, the values of the variables based on the indirect information contained in the measurements. For such problems, the central scientific questions are: Under what conditions is the information contained in the measurements sufficient for a satisfactory inference to be possible? What are the most efficient algorithms for this task? A growing body of work has shown that often we can understand and locate these fundamental barriers by thinking of them as phase transitions in the sense of statistical physics. Moreover, it turned out that we can use the gained physical insight to develop new promising algorithms. The connection between inference and statistical physics is currently witnessing an impressive renaissance and we review here the current state-of-the-art, with a pedagogical focus on the Ising model which, formulated as an inference problem, we call the planted spin glass. In terms of applications we review two classes of problems: (i) inference of clusters on graphs and networks, with community detection as a special case and (ii) estimating a signal from its noisy linear measurements, with compressed sensing as a case of sparse estimation. Our goal is to provide a pedagogical review for researchers in physics and other fields interested in this fascinating topic.     

Finite size effects for the Ising model on random graphs with varying dilution

We investigate the finite size corrections to the equilibrium magnetization of an Ising model on a random graph with N nodes and N^γ edges, with 1<γ≤2. By conveniently rescaling the coupling constant, the free energy is made extensive. As expected, the system displays a phase transition of the mean-field type for all the considered values of γ at the transition temperature of the fully connected Curie-Weiss model. Finite size corrections are investigated for different values of the parameter γ, using two different approaches: a replica based finite N expansion, and a cavity method. Numerical simulations are compared with theoretical predictions. The cavity based analysis is shown to agree better with numerics.     

Heterogeneous network with distance dependent connectivity

We investigate a network model based on an infinite regular square lattice embedded in the Euclidean plane where the node connection probability is given by the geometrical distance of nodes. We show that the degree distribution in the basic model is sharply peaked around its mean value. Since the model was originally developed to mimic the social network of acquaintances, to broaden the degree distribution we propose its generalization. We show that when heterogeneity is introduced to the model, it is possible to obtain fat tails of the degree distribution. Meanwhile, the small-world phenomenon present in the basic model is not affected. To support our claims, both analytical and numerical results are obtained.     

Densities and Apparent Molar Volumes of NaOH(aq) to the Temperature 623 K and Pressure to 30 MPa

Densities of NaOH(aq) solutions with molalities between 0.033 and 6.047 mol⋅kg⁻¹ were measured with a vibrating-tube densitometer at temperatures between 373 K and 623 K and pressures from near the saturation vapor pressure of water to 30 MPa. Apparent molar volumes, V _φ, calculated from the measured densities in this work were well represented with the Pitzer ion-interaction treatment up to T = 523 K. Above that temperature the formation of ion pairs must be taken into account to describe correctly the molality dependence of V _φ and for the reliable extrapolation of V _φ to infinite dilution. Standard-state thermodynamic properties for the ion formation reaction were taken from recently published electrical conductivity measurements. A comparison with previous correlations of volumetric properties of NaOH(aq) is presented covering the full range of pressure and temperature.