Kinetic and thermodynamic analysis of proteinlike heteropolymers: Monte Carlo histogram technique

Using Monte Carlo dynamics and the Monte Carlo Histogram Method, the simple three-dimensional 27 monomer lattice copolymer is examined in depth. The thermodynamic properties of various sequences are examined contrasting the behavior of good and poor folding sequences. The good (fast folding) sequences have sharp well-defined thermodynamic transitions while the slow folding sequences have broad ones. We find two independent transitions: a collapse transition to compact states and a folding transition from compact states to the native state. The collapse transition is second order-like, while folding is first order. The system is also studied as a function of the energy parameters. In particular, as the average energetic drive toward compactness is reduced, the two transitions approach each other. At zero average drive, collapse and folding occur almost simultaneously; i.e., the chain collapses directly into the native state. At a specific value of this energy drive the folding temperature falls below the glass point, indicating that the chain is now trapped in local minimum. By varying one parameter in this simple model, we obtain a diverse array of behaviors which may be useful in understanding the different folding properties of various proteins.Comment: LaTeX, 16 pages, figures in separate uufile. Requires psfig.sty Minor revision, fixed typo in preprint number (no other changes

Multiplier impact of wine activity on inter-industry interactions

Wine is usually studied as a separate activity. Our attempt is to introduce it within the industries composing output that react to disposable income changes. We first harmonize the available data in a Social Accounting framework. From this data base we get the parameters of a multi-industry multi-sectoral model. We apply on the model a type of dispersion analysis based on singular value decompositions. The results show the position held by wine with respect to the other activities in relation to changes in the composition of disposable incomes. They confirm that wine, in a mediterranean country as Italy, is linked to lower disposable incomes.Wine, Input-Output, Macro Multiplier, Singular Values Decompositions, Economic Impact and Correlation, Agribusiness,

The number of directed k-convex polyominoes

We present a new method to obtain the generating functions for directed convex polyominoes according to several different statistics including: width, height, size of last column/row and number of corners. This method can be used to study different families of directed convex polyominoes: symmetric polyominoes, parallelogram polyominoes. In this paper, we apply our method to determine the generating function for directed k-convex polyominoes. We show it is a rational function and we study its asymptotic behavior

A convenient policy control through the Macro Multiplier Approach

In this paper an attempt is made to identify a ”convenient” structure of a policy variable, final demand control, through the use of a multi-sectoral model. The method used relies on a specific spectral ecomposition which allows for the quantification of the scale-effect of each structure that the policy variable can assume on the structures of the objective ariable. This quantification is of aggregated type since the scalars obtained are valid for all sectoral components of both the policy variable and the objective variable. What is more relevant they are consistent with the multi-sectoral feature of the model, overcoming the objections put forward by the theory of aggregation. In fact the aggregation theory states that if we aggregate sectors we obtain a new model with different structural properties, while, in our case, the aggregated scalar that we obtain for each structure is perfectly consistent with the original model. We call these scalars Macroeconomic Multipliers since they say how many time the modulus of the multi-sectoral policy variable is multiplied when we compare it with the modulus of the effects observed on the multi-sectoral objective variable. Once identified the structures and the associated Macro Multipliers, the policy maker can have a complete picture of the economic structure of the objective variables that can be attained and determine a ”convenient” structure of the policy variable choosing either one structure or a combination of the structures identified.IO model,Structural Change,Multipliers Analysis

Folding Kinetics of Protein Like Heteropolymers

Using a simple three-dimensional lattice copolymer model and Monte Carlo dynamics, we study the collapse and folding of protein-like heteropolymers. The polymers are 27 monomers long and consist of two monomer types. Although these chains are too long for exhaustive enumeration of all conformations, it is possible to enumerate all the maximally compact conformations, which are 3x3x3 cubes. This allows us to select sequences that have a unique global minimum. We then explore the kinetics of collapse and folding and examine what features determine the various rates. The folding time has a plateau over a broad range of temperatures and diverges at both high and low temperatures. The folding time depends on sequence and is related to the amount of energetic frustration in the native state. The collapse times of the chains are sequence independent and are a few orders of magnitude faster than the folding times, indicating a two-phase folding process. Below a certain temperature the chains exhibit glass-like behavior, characterized by a slowing down of time scales and loss of self-averaging behavior. We explicitly define the glass transition temperature (Tg), and by comparing it to the folding temperature (Tf), we find two classes of sequences: good folders with Tf > Tg and non-folders with Tf < Tg.Comment: 23 pages (plus 10 figures included in a seperate file) LaTeX, no local report nu

Spur-reduction techniques for PLLs using sub-sampling phase detection

A low-spur sub-sampling PLL exploits an amplitude-controlled charge pump which is immune to current source mismatch. A DLL/PLL dual-loop architecture and buffering reduces the disturbance of the sampler to the VCO. The 2.2GHz PLL in 0.18-μm CMOS achieves -121dBc/Hz in-band phase noise at 200kHz and consumes 3.8mW. The worst-case reference spur measured on 20 samples is -80dBc.\u

Enhancing human cognition with cocoa flavonoids

Enhancing cognitive abilities has become a fascinating scientific challenge, recently driven by the interest in preventing age-related cognitive decline and sustaining normal cogni-tive performance in response to cognitively demanding environments. In recent years, cocoa and cocoa-derived products, as a rich source of flavonoids, mainly the flavanols sub-class, have been clearly shown to exert cardiovascular benefits. More recently, neuromodulation and neuroprotective actions have been also suggested. Here, we dis-cuss human studies specifically aimed at investigating the effects of acute and chronic administration of cocoa flavanols on different cognitive domains, such as executive func-tions, attention and memory. Through a variety of direct and indirect biological actions, in part still speculative, cocoa and cocoa-derived food have been suggested to possess the potential to counteract cognitive decline and sustain cognitive abilities, particularly among patients at risk. Although still at a preliminary stage, research investigating the relations between cocoa and cognition shows dose-dependent improvements in general cognition, attention, processing speed, and working memory. Moreover, cocoa flavanols administration could also enhance normal cognitive functioning and exert a protective role on cognitive performance and cardiovascular function specifically impaired by sleep loss, in healthy subjects. Together, these findings converge at pointing to cocoa as a new interesting nutraceutical tool to protect human cognition and counteract different types of cognitive decline, thus encouraging further investigations. Future research should include complex experimental designs combining neuroimaging techniques with physiological and behavioral measures to better elucidate cocoa neuromodulatory properties and directly compare immediate versus long-lasting cognitive effects

Diffusive Dynamics of the Reaction Coordinate for Protein Folding Funnels

The quantitative description of model protein folding kinetics using a diffusive collective reaction coordinate is examined. Direct folding kinetics, diffusional coefficients and free energy profiles are determined from Monte Carlo simulations of a 27-mer, 3 letter code lattice model, which corresponds roughly to a small helical protein. Analytic folding calculations, using simple diffusive rate theory, agree extremely well with the full simulation results. Folding in this system is best seen as a diffusive, funnel-like process.Comment: LaTeX 12 pages, figures include