Generalized-Ensemble Simulations of the Human Parathyroid Hormone Fragment PTH(1-34)

A generalized-ensemble technique, multicanonical sampling, is used to study the folding of a 34-residue human parathyroid hormone fragment. An all-atom model of the peptide is employed and the protein-solvent interactions are approximated by an implicit solvent. Our results demonstrate that generalized-ensemble simulations are well suited to sample low-energy structures of such large polypeptides. Configurations with a root-mean-square deviation (rmsd) to the crystal structure of less than one \AA are found. Finally, we discuss limitations of our implicit solvent model.Comment: To appear in J. Chem. Phy

Correlation of the earth's rotation rate and the secular change of the geomagnetic field

Power spectral density analysis using Burg's maximum entropy method was applied to the geomagnetic dipole field and its rate of change for the years 1901 to 1969. Both spectra indicate relative maxima at 0.015 cycles/year and its harmonics. These maxima correspond approximately to 66, 33, 22, 17, 13, 11, and 9-year spectral lines. The application of the same analysis techniques to the length-of-day (l.o.d) fluctuations for the period 1865 to 1961 reveal similar spectral characteristics. Although peaks were observed at higher harmonics of the fundamental frequency, the 22-year and 11-year lines are not attributed unambiguously to the solar magnetic cycle and the solar cycle. It is suggested that the similarity in the l.o.d fluctuations and the dipole field variations is related to the motion within the earth's fluid core during the past one hundred years

Relationship between spin squeezing and single-particle coherence in two-component Bose-Einstein condensates with Josephson coupling

We investigate spin squeezing of a two-mode boson system with a Josephson coupling. An exact relation between the squeezing and the single-particle coherence at the maximal-squeezing time is discovered, which provides a more direct way to measure the squeezing by readout the coherence in atomic interference experiments. We prove explicitly that the strongest squeezing is along the $J_z$ axis, indicating the appearance of atom number-squeezed state. Power laws of the strongest squeezing and the optimal coupling with particle number $N$ are obtained based upon a wide range of numerical simulations.Comment: 4 figures, revtex4, new refs. are adde

A flexible mandatory access control policy for XML databases

A flexible mandatory access control policy (MAC) for XML databases is presented in this paper. The label type and label access policy can be defined according to the requirements of applications. In order to preserve the integrity of data in XML databases, a constraint between a read access rule and a write access rule in label access policy is introduced. Rules for label assignment and propagation are proposed to alleviate the workload of label assignment. Also, a solution for resolving conflicts of label assignments is proposed. At last, operations for implementation of the MAC policy in a XML database are illustrated

Behavior of Complex Knots in Single DNA Molecules

We used optical tweezers to tie individual DNA molecules in knots. Although these knots become highly localized under tension, they remain surprisingly mobile and undergo thermal diffusion with classical random walk statistics. The diffusion constants of knots with different complexities correlate with theoretical calculations of knot sizes. We show that this correlation can be explained by a simple hydrodynamical model of "self-reptation" of the knot along a polymer

A practical mandatory access control model for XML databases

A practical mandatory access control (MAC) model for XML databases is presented in this paper. The label type and label access policy can be defined according to the requirements of different applications. In order to preserve the integrity of data in XML databases, a constraint between a read-access rule and a write-access rule in label access policy is introduced. Rules for label assignment and propagation are presented to alleviate the workload of label assignments. Furthermore, a solution for resolving conflicts in label assignments is proposed. Rules for update-related operations, rules for exceptional privileges of ordinary users and the administrator are also proposed to preserve the security of operations in XML databases. The MAC model, we proposed in this study, has been implemented in an XML database. Test results demonstrated that our approach provides rational and scalable performance

Highly Ionised Gas as a Diagnostic of the Inner NLR

The spectra of AGN from the ultraviolet to the near infrared, exhibit emission lines covering a wide range of ionisation states, from neutral species such as [O I] 6300A, up to [Fe XIV] 5303A. Here we report on some recent studies of the properties of highly ionised lines (HILs), plus two case studies of individual objects. Future IFU observations at high spatial and good spectral resolution, will probe the excitation and kinematics of the gas in the zone between the extended NLR and unresolved BLR. Multi-component SED fitting can be used to link the source of photoionisation with the strengths and ratios of the HILs.Comment: Proceedings of the IAU Symposium: Co-evolution of Central Black Holes and Galaxie