Contrasting magnetic behavior of fine particles of some Kondo lattices

We have investigated the magnetic behavior of ball-milled fine particles of well-known Kondo lattices, CeAu₂Si₂, CePd₂Si₂ and CeAl₂, by magnetization and heat-capacity studies in order to understand the magnetic behavior when the particle size is reduced. These compounds have been known to order antiferromagnetically in the bulk form near ($T_N=$) 10, 10 and 3.8 K respectively. We find that the features due to magnetic ordering get suppressed to temperatures below 1.8 K in the case of fine particles of ternary alloys, though trivalence of Ce as inferred from the effective moment remains unchanged. In contrast to this, in CeAl₂, there appears to be a marginal enhancement of $T_N$, when the particle size is reduced to less than a micron. These results can be consistently understood by proposing that these compounds move toward left in the Doniach magnetic phase-diagram, for instance, due to relatively more 4f-localization, as the particle size is reduced.     

Navigating high-dimensional activity landscapes: design and application of the ligand-target differentiation map

The transformation of high-dimensional bioactivity spaces into activity landscape representations is as of yet an unsolved problem in computational medicinal chemistry. High-dimensional activity spaces result from the experimental evaluation of compound sets on large numbers of targets. We introduce a first concept to represent and navigate high-dimensional activity landscapes that is based on a data structure termed ligand-target differentiation (LTD) map. This approach is designed to reduce the complexity of high-dimensional bioactivity spaces and enable the identification and further analysis of compound subsets with interesting activity and structural relationships. Its utility has been demonstrated using a set of more than 1400 inhibitors with exact activity measurements for varying numbers of 172 kinases.     

The nature of 4f electron magnetism in the diluted ferromagnetic Kondo lattice, CeIr2B2

We report on the physical properties of the series Ce(1-x)La(x)Ir(2)B(2) (x = 0-0.9), obtained by means of magnetization, heat capacity and electrical resistivity measurements as a function of temperature (down to 0.7 K for the latter two measurements). The Curie temperature of CeIr(2)B(2) (~5 K) is lowered due to La substitution, as expected. However, no quantum critical point or 'non-Fermi liquid' behavior was observed even in the dilute limit of x = 0.9. Interestingly, ferromagnetic ordering persists even for Ce(0.1)La(0.9)Ir(2)B(2), below 0.8 K. Among the Ce systems, CeIr(2)B(2) is one of the compounds in which direct 4f-4f interaction does not appear to play any role in the magnetism, which is controlled by the indirect exchange interaction alone. In this compound, the Kondo effect persists in the ferromagnetic ordered state, as inferred from the entropy data.     

Reagent‐Based DOS: Developing a Diastereoselective Methodology to Access Spirocyclic‐ and Fused Heterocyclic Ring Systems

Herein, we report a diversity‐oriented‐synthesis (DOS) approach for the synthesis of biologically relevant molecular scaffolds. Our methodology enables the facile synthesis of fused N‐heterocycles, spirooxoindolones, tetrahydroquinolines, and fused N‐heterocycles. The two‐step sequence starts with a chiral‐bicyclic‐lactam‐directed enolate‐addition/substitution step. This step is followed by a ring‐closure onto the built‐in scaffold electrophile, thereby leading to stereoselective carbocycle‐ and spirocycle‐formation. We used in silico tools to calibrate our compounds with respect to chemical diversity and selected drug‐like properties. We evaluated the biological significance of our scaffolds by screening them in two cancer cell‐lines. In summary, our DOS methodology affords new, diverse scaffolds, thereby resulting in compounds that may have significance in medicinal chemistry.     

Surface stress mediated image force and torque on an edge dislocation

The proximity of interfaces gives prominence to image forces experienced by dislocations. The presence of surface stress alters the traction-free boundary conditions existing on free-surfaces and hence is expected to alter the magnitude of the image force. In the current work, using a combined simulation of surface stress and an edge dislocation in a semi-infinite body, we evaluate the configurational effects on the system. We demonstrate that if the extra half-plane of the edge dislocation is parallel to the surface, the image force (glide) is not altered due to surface stress; however, the dislocation experiences a torque. The surface stress breaks the ‘climb image force’ symmetry, thus leading to non-equivalence between positive and negative climb. We discover an equilibrium position for the edge dislocation in the positive ‘climb geometry’, arising due to a competition between the interaction of the dislocation stress fields with the surface stress and the image dislocation. Torque in the climb configuration is not affected by surface stress (remains zero). Surface stress is computed using a recently developed two-scale model based on Shuttleworth’s idea and image forces using a finite element model developed earlier. The effect of surface stress on the image force and torque experienced by the dislocation monopole is analysed using illustrative 3D models.     

Effects of a Peripherally Restricted Hybrid Inhibitor of CB1 Receptors and iNOS on Alcohol Drinking Behavior and Alcohol-Induced Endotoxemia

Alcohol consumption is associated with gut dysbiosis, increased intestinal permeability, endotoxemia, and a cascade that leads to persistent systemic inflammation, alcoholic liver disease, and other ailments. Craving for alcohol and its consequences depends, among other things, on the endocannabinoid system. We have analyzed the relative role of central vs. peripheral cannabinoid CB1 receptors (CB1R) using a “two-bottle” as well as a “drinking in the dark” paradigm in mice. The globally acting CB1R antagonist rimonabant and the non-brain penetrant CB1R antagonist JD5037 inhibited voluntary alcohol intake upon systemic but not upon intracerebroventricular administration in doses that elicited anxiogenic-like behavior and blocked CB1R-induced hypothermia and catalepsy. The peripherally restricted hybrid CB1R antagonist/iNOS inhibitor S-MRI-1867 was also effective in reducing alcohol consumption after oral gavage, while its R enantiomer (CB1R inactive/iNOS inhibitor) was not. The two MRI-1867 enantiomers were equally effective in inhibiting an alcohol-induced increase in portal blood endotoxin concentration that was caused by increased gut permeability. We conclude that (i) activation of peripheral CB1R plays a dominant role in promoting alcohol intake and (ii) the iNOS inhibitory function of MRI-1867 helps in mitigating the alcohol-induced increase in endotoxemia.     

Large magnetocaloric effect and magnetoresistance behavior in Gd4Co3

We report a large entropy change (ΔS) below 300 K, peaking near T _C = 220 K, due to isothermal change of magnetic field, for Gd₄Co₃, with a refrigeration capacity higher than that for, say, LaFe_11.4Si_1.6, ordering magnetically in the same temperature range. A noteworthy finding is that the isothermal magnetization is nonhysteretic — an important criterion for magnetic refrigeration without loss. ΔS behavior is also compared with that of magnetoresistance.     

The mean time-to-failure of some special series-parallel arrays

A method for finding the mean time-to-failure (MTTF) of parallel-series and series-parallel arrays is presented. The system itself is subject to two modes of failure, open and short, and all components states are mutually independent. Each item has the same failure-time distribution, and the probability of short failure of an item, given the failure of the item, is a constant. It is shown that the distribution of the lifetime of the system is a linear combination of the distributions of lifetimes of systems each of which is an ordinary series or parallel system of mutually independent components