Alpha decay energies and half-lives for possibly synthesized superheavy elements

We investigate the ground state properties of some superheavy nuclei, which may be synthesized in future experiments. Special emphases are placed on the alpha decay energies and half-lives. The alpha decay energies and half-lives from different theoretical models are compared and discussed comprehensively. Through these calculations and comparisons, the optimal superheavy elements to be synthesized in future experiments are proposed theoretically.     

An explanation for deviations from the quark number scaling of elliptic flows in low pT region

We carry out a systematic study of the different contributions to the deviations of the elliptic flows from the quark number scaling in high energy heavy ion collision in a quark combination model.The effects that we considered are:the resonance decay,the flavor dependence of the quark elliptic flow and the combination of quarks/antiquarks with slightly different transverse momenta.Our results show that the deviations observed in experiments can be well reproduced within the combination framework if all the three effects are considered. We make a detailed analysis of the different contributions using a Monte-Carlo program and suggest measuring the quark number scaling in intermediate pT range more precisely.     

A High Efficiency,High Throughput Unipolar Aerosol Charger for Nanoparticles

A novel aerosol charger has been developed, which has high efficiency and high throughput especially for nanometer particles in the size range of 3–50nm. Unipolar charging with high ion concentration and long charging time is used to obtain the high charging efficiency. High throughput is achieved by reducing particle loss within the charger. This is accomplished by directing ion flow and aerosol flow in the same direction and by the use of sheath air flow. The charger configuration is of a longitudinal design – the direction of aerosol stream and ion stream are flowing parallel along the longitudinal axis of the charger. The charger consists of four sections: the inlet zone, the ion production zone, the unipolar charging zone, and the exit zone. In the inlet and ion production zones, unipolar ions are generated using Po²¹⁰ radioactive sources with an electric field designed to separate the positive and negative ions, and to focus the selected unipolar ions into the core region of the charger. The ions with the selected polarity is then attracted to the charging zone by an uniform electric field created by a series of ring electrodes applied with a linear ramped voltage. Aerosol entering the charger is sheathed with clean gas flow in order to keep the aerosol in the core region. A novel exit design with a reversed electric field is incorporated in order to minimize the charged particles loss. The performance of the charger is first evaluated using computer simulation and then constructed for experimental validation. Experiment data have demonstrated that the charger achieves 90% and 95% charged-particles penetration efficiency and with 22% and 48% extrinsic charging efficiency at 3 and 5nm particle sizes, respectively. These performance data represent significant improvement, over a factor of 10, compared with the existing chargers.     

Fluid multiphase equilibria and critical phenomena in binary and ternary mixtures of carbon dioxide, certain n-alkanols and tetradecane

Experimental results of fluid multiphase equilibria occurring in ternary mixtures of near-critical carbon dioxide, certain n-alkanols and tetradecane are presented. The following n-alkanols were used in this investigation: decanol, octanol, heptanol, hexanol and pentanol. In the ternary systems with decanol, octanol or heptanol a closed loop liquid-vapor two-phase region in the three-phase surface liquid-liquid-vapor was found. As far as the ternary system with decanol is concerned, this phenomenon is in agreement with an earlier and unexpected finding of Patton et al. (1993). In addition, it was also found in this study that the phase diagrams of the ternary mixtures with hexanol or pentanol as the n-alkanol show further complications.     

Optimal control of coupled spin dynamics: design of NMR pulse sequences by gradient ascent algorithms

In this paper, we introduce optimal control algorithm for the design of pulse sequences in NMR spectroscopy. This methodology is used for designing pulse sequences that maximize the coherence transfer between coupled spins in a given specified time, minimize the relaxation effects in a given coherence transfer step or minimize the time required to produce a given unitary propagator, as desired. The application of these pulse engineering methods to design pulse sequences that are robust to experimentally important parameter variations, such as chemical shift dispersion or radiofrequency (rf) variations due to imperfections such as rf inhomogeneity is also explained.     

Correspondence between spin-dynamic phases and pulse program phases of NMR spectrometers

Spin state selective experiments have become very useful tools in solution NMR spectroscopy, particularly in the context of TROSY line narrowing. However, the practical implementation of such pulse sequences is frequently complicated by unexpected instrument behavior. Furthermore, a literal theoretical analysis of sequences published with specific phase settings can fail to rationalize such experiments and can seemingly contradict experimental findings. In this communication, we develop a practical approach to this ostensible paradox. Spin-dynamic design, rationalization, and simulation of NMR pulse sequences, as well as their confident and reliable implementation across current spectrometer hardware platforms, require precise understanding of the underlying nutation axis conventions. While currently often approached empirically, we demonstrate with a simple but general pulse program how to uncover these correspondences a priori in the general case. From this, we deduce a correspondence table between the spin-dynamic phases used in NMR theory and simulation on the one hand and pulse program phases of current commercial spectrometers on the other. As a practical application of these results, we analyze implementations of the original (1)H-(15)N TROSY experiment and illustrate how steady-state magnetization can be predictably, rather than empirically, added to a desired component. We show why and under which circumstances a literal adoption of phases from published sequences can lead to incorrect results. We suggest that pulse sequences should be consistently given with spin-dynamically correct (physical) phases, rather than in spectrometer-specific (software) syntax.     

Computational Modeling of Organizations Comes of Age

As they are maturing—i.e., as they are becoming validated, calibrated and refined—computational emulation models of organizations are evolving into: powerful new kinds of organizational design tools for predicting and mitigating organizational risks; and flexible new kinds of organizational theorem-provers for validating extant organization theory and developing new theory. Over the past 50 years, computational modeling and simulation have had enormous impacts on the rate of advancement of knowledge in fields like physics, chemistry and, more recently, biology; and their subsequent application has enabled whole new areas of engineering practice. In the same way, as our young discipline comes of age, computational organizational models are beginning to impact behavioral, organizational and economic science, and management consulting practice. This paper attempts to draw parallels between computational modeling in natural sciences and computational modeling of organizations as a contributor to both social science and management practice.To illustrate the lifecycle of a computational organizational model that is now relatively mature, this paper traces the evolution of the Virtual Design Team (VDT) computational modeling and simulation research project at Stanford University from its origins in 1988 to the present. It lays out the steps in the process of validating VDT as a computational emulation model of organizations to the point that VDT began to influence management practice and, subsequently, to advance organizational science. We discuss alternate research trajectories that can be taken by computational and mathematical modelers who prefer the typical natural science validation trajectory—i.e., who attempt to impact organizational science first and, perhaps subsequently, to impact management practice.The paper concludes with a discussion of the current state-of-the-art of computational modeling of organizations and some thoughts about where, and how rapidly, the field is headed.     

Assignment of phycocyanobilin in HMPT using triple resonance experiments

A complete assignment of all resonances of a small organic molecule is a prerequisite for a structure determination using NMR spectroscopy. This is conventionally obtained using a well‐established strategy based on COSY, HMQC and HMBC spectra. In case of phycocyanobilin (PCB) in HMPT this strategy was unsuccessful due to the symmetry of the molecule and extreme signal overlap. Since ¹³C and ¹⁵N labeled material was available, an alternative strategy for resonance assignment was used. Triple resonance experiments derived from experiments conventionally performed for proteins are sensitive and easy to analyze. Their application led to a complete and unambiguous assignment using three types of experiments. Copyright © 2011 John Wiley & Sons, Ltd.     

13C shielding scale for MAS NMR spectroscopy

We have performed the direct measurements of ¹³C magnetic shielding for pure liquid TMS, solution of 1% TMS in CDCl₃ and solid fullerene. The measurements were carried out in spherical ampoules exploring the relation between the resonance frequencies, shielding constants and magnetic moments of ¹³C and ³He nuclei. Next the ¹³C shielding constants of glycine, hexamethylbenzene and adamantane were established on the basis of appropriate chemical shifts measured in the solid state. All the new results are free from susceptibility effects and can be recommended as the reference standards of ¹³C shielding scale in the magic angle spinning NMR experiments. Copyright © 2011 John Wiley & Sons, Ltd.