Generalized seniority in the presence of strong shell effects

Generalized seniority is shown to provide a useful variational formalism for alike-nucleon systems even in the presence of strong shell effects.     

New coupling scheme in the interacting boson-fermion model: O(6) spectra in odd-A nuclei

We suggest that a new coupling scheme, based on the O(6) boson symmetry, may be useful in describing the spectra of odd-A nuclei towards the end of major shells. We describe the main properties of this scheme and show one example of it.     

Multilevel description of the Rh isotopes in the interacting boson-fermion model

We present a multilevel calculation within the framework of the interacting boson-fermion model (IBFM-1) of the odd-mass ^101–109Rh isotopes. We calculate both positive- and negative-parity states of the same hamiltonian, starting from the $\text{1g}{}_{\mathrm{<mtext>9</mtext><mtext>2</mtext>}}$, $\text{2p}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$, $\text{2p}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}$, $\text{lf}{}_{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}$ and $\text{2d}{}_{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}$ single-particle orbitals. We discuss energy spectra, electromagnetic E2 transition rates and one-nucleon transfer properties. We also discuss the influence of the $\text{1f}{}_{\mathrm{<mtext>7</mtext><mtext>2</mtext>}}$ orbital on the one-nucleon transfer properties. The results of the calculation for the negative-parity states are compared with the results of the $\text{U(}\text{6}\text{12}$) supersymmetry scheme of the interacting boson model.     

A new formulation of Kapila’s five-equation model for compressible two-fluid flow,and its numerical treatment

A new formulation of Kapila’s five-equation model for inviscid, non-heat-conducting, compressible two-fluid flow is derived, together with an appropriate numerical method. The new formulation uses flow equations based on conservation laws and exchange laws only. The two fluids exchange momentum and energy, for which exchange terms are derived from physical laws. All equations are written as a single system of equations in integral form. No equation is used to describe the topology of the two-fluid flow. Relations for the Riemann invariants of the governing equations are derived, and used in the construction of an Osher-type approximate Riemann solver. A consistent finite-volume discretization of the exchange terms is proposed. The exchange terms have distinct contributions in the cell interior and at the cell faces. For the exchange-term evaluation at the cell faces, the same Riemann solver as used for the flux evaluation is exploited. Numerical results are presented for two-fluid shock-tube and shock-bubble-interaction problems, the former also for a two-fluid mixture case. All results show good resemblance with reference results.     

Strategic control and interests,its effects on decision outcomes

Application of the model to artificial data shows that actors with strong preferences in the center have more possibilities to realize good outcomes than other actors. On the basis of an empirical application it is shown that a Nash equilibrium does not always arise after a large number of iterations unless actors have learning capabilities or are severely restricted in their strategic behavior.

In political systems and large organizations, ultimate decision makers are usually just a small subset of all actors in the social system. To arrive at acceptable decisions, decision makers have to take into account the preferences of other actors in the system. Typically preferences of more interested and more powerful actors are weighted heavier than those of less interested and powerful actors. This implies that the total leverage of an actor on the decision is determined by the combination of his power (his potential) and his interest (his willingness to mobilize his power). As the exact level of an actor's leverage is difficult to estimate for the other actors in the system, an actor is able to optimize his effects on outcomes of decisions by providing strategic informatioa

In this paper, first an analytic solution is presented for the optimization of strategic leverage in collective decision making by one single actor. In this solution, the actor makes assumptions about the leverage other actors will show in decision making. Subsequently, the actor optimizes the outcomes of decisions by manipulating the distribution of his leverage over a set of issues.

The analytic solution can be theoretically interpreted by decomposing the solution into three terms, the expected external leverage of the other actors on the issue, the evaluation of the deviance of the expected from the preferred outcome of the issue, and the restrictions on the distribution of leverage over the issues. The higher the expectation of the leverages the other actors will allocate to the issue, the less an actor is inclined to allocate leverage to the issue. The higher the evaluation of the deviance, the more an actor is inclined to allocate leverage to the issue. This is restricted, however, by the required distribution of leverages over the issues. The researcher is able to manipulate these restrictions to investigate its consequences for the outcomes.

In the next step, we investigate whether we can find a Nash equilibrium if all actors optimize their leverage simultaneously. Under certain conditions, a Nash equilibrium can be found by an iterative process in which actors update their estimates oh each other's leverages on the basis of what the other actors have shown in previous iterations.     

Lysine and arginine residues do not increase the helicity of alanine-rich peptide helices

The helix-disfavoring, versus alanine, propagation values of lysine (0.8) and arginine (1.0) residues placed centrally in an (Ala)(9) unit have been measured by (13)C NMR.     

Hydrogallierungsreaktionen mit den Monoalkinen H5C6‐C≡C‐SiMe3 und H5C6‐C≡C‐CMe3 – cis/trans‐Isomerie und Substituentenaustausch

Hydrogallation Reactions Involving the Monoalkynes H₅C₆‐C≡C‐SiMe₃ and H₅C₆‐C≡C‐CMe₃ – cis/trans Isomerisation and Substituent Exchange Phenyl‐trimethylsilylethyne, H₅C₆‐C≡C‐SiMe₃, reacted with different dialkylgallium hydrides, R₂Ga‐H (R = Me, Et, nPr, iPr, tBu), by the addition of one Ga‐H bond to its C≡C triple bond (hydrogallation). The gallium atoms attacked selectively those carbon atoms, which were also attached to trimethylsilyl groups. The cis arrangement of Ga and H across the resulting C=C double bonds resulted only for the sterically most shielded di(tert‐butyl)gallium derivative, while in all other cases spontaneous cis/trans rearrangement occurred with the quantitative formation of the trans addition products. The diethyl compound Et₂Ga‐C(SiMe₃)=C(H)‐C₆H₅ ( 2 ) gave by substituent exchange the secondary products EtGa[C(SiMe₃)=C(H)‐C₆H₅]₂ ( 7 , Z,Z) and Ga[C(SiMe₃)=C(H)‐C₆H₅]₃ ( 8 ). Interestingly, compound 8 has two alkenyl groups with a Z configuration, while the third C=C double bond has the cis arrangement of Ga and H (E configuration). The reversibility of the cis/trans isomerisation of hydrogallation products was observed for the first time. tert‐Butyl‐phenylethyne gave the simple addition product, R₂Ga(C₆H₅)=C(H)‐CMe₃ ( 9 ), only with di(n‐propyl)gallium hydride.     

The proton complex of a diaza-macropentacycle: structure, slow formation, and chirality induction by ion pairing with the optically active 1,1'-binaphthyl-2,2'-diyl phosphate anion

The protonation of a sterically crowded [N2S6] macropentacycle (1) with 1 equiv of CF3SO3H in CDCl3 is slow and gives the singly (oo(+) [1 x H](+)) and doubly (o(+)o(+) [1 x 2H](2+)) protonated forms as kinetic products, the i(+)o form of [1 x H](+) being the thermodynamic product. i(+)o [1 x H](+) is C3 helically chiral in the solid state and in solution. The barrier to racemization (DeltaG(double dagger)) of the [1 x H](+) propeller is >71 kJ mol(-1). The ammonium proton is encapsulated in the tetrahedral coordination sphere provided by the endo (i) nitrogen bridgehead atom and the three proximal thioether sulfurs, which makes [1 x H](+) a proton complex. Use of the optically active acid (R)-(-)- or (S)-(+)-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate (BNPH) in chloroform allowed us to induce a significant diastereomeric excess (24% de), which produced a detectable ICD. The de was decreased in acetone-d6 (10%), suggesting that the sense of chirality of [1 x H](+) is controlled by ion-pair interactions. Detailed NMR studies allowed us to locate the chiral anion on the endo side of [1 x H](+), in the cavity lined by endo t-Bu groups, and to establish that the rate of anion exchange in [1 x H][(S,R)-(+/-)-BNP] was higher than the rate of propeller inversion of [1 x H](+).     

Simulation of vibrational energy transfer in two-dimensional infrared spectroscopy of amide I and amide II modes in solution

Population transfer between vibrational eigenstates is important for many phenomena in chemistry. In solution, this transfer is induced by fluctuations in molecular conformation as well as in the surrounding solvent. We develop a joint electrostatic density functional theory map that allows us to connect the mixing of and thereby the relaxation between the amide I and amide II modes of the peptide building block N-methyl acetamide. This map enables us to extract a fluctuating vibrational Hamiltonian from molecular dynamics trajectories. The linear absorption spectrum, population transfer, and two-dimensional infrared spectra are then obtained from this Hamiltonian by numerical integration of the Schrodinger equation. We show that the amide I/amide II cross peaks in two-dimensional infrared spectra in principle allow one to follow the vibrational population transfer between these two modes. Our simulations of N-methyl acetamide in heavy water predict an efficient relaxation between the two modes with a time scale of 790 fs. This accounts for most of the relaxation of the amide I band in peptides, which has been observed to take place on a time scale of 450 fs in N-methyl acetamide. We therefore conclude that in polypeptides, energy transfer to the amide II mode offers the main relaxation channel for the amide I vibration.     

On the optimization of two-class work-conserving parameterized scheduling policies

Numerous scheduling policies are designed to differentiate quality of service for different applications. Service differentiation can in fact be formulated as a generalized resource allocation optimization towards the minimization of some important system characteristics. For complex scheduling policies, however, optimization can be a demanding task, due to the difficult analytical analysis of the system at hand. In this paper, we study the optimization problem in a queueing system with two traffic classes, a work-conserving parameterized scheduling policy, and an objective function that is a convex combination of either linear, convex or concave increasing functions of given performance measures of both classes. In case of linear and concave functions, we show that the optimum is always in an extreme value of the parameter. Furthermore, we prove that this is not necessarily the case for convex functions; in this case, a unique local minimum exists. This information greatly simplifies the optimization problem. We apply the framework to some interesting scheduling policies, such as Generalized Processor Sharing and semi-preemptive priority scheduling. We also show that the well-documented \(c\mu \)-rule is a special case of our framework.