Modulating functional loop movements: the role of highly conserved residues in the correlated loop motions

Loop flexibility in enzymes plays a vital role in correctly positioning catalytically important residues. This strong relationship between enzyme flexibility and function provides an opportunity to engineer new substrates and inhibitors. It further allows the design of site-directed mutagenesis experiments to explore enzymatic activity through the control of flexibility of a functional loop. Earlier, we described a novel mechanism in which a small loop triggers the motions of a functional loop in three enzymes (beta-1,4-galactosyltransferase, lipase, and enolase) unrelated in sequence, structure, or function. Here, we further address the question of how the interactions between various flexible loops modulate the movements of the functional loop. We examine beta-1,4-galactosyltransferase as a model system in which a Long loop undergoes a large conformational change (moves in space up to 20 A) upon substrate binding in addition to a small loop (Trp loop) that shows a considerably smaller conformational change. Our molecular-dynamics simulations carried out in implicit and explicit solvent show that, in addition to these two loops, two other neighboring loops are also highly flexible. These loops are in contact with either the Long loop or the Trp loop. Analysis of the covariance of the spatial displacement of the residues reveals that coupled motions occur only in one of these two loops. Sequence analysis indicates that loops correlated in their motions also have highly conserved residues involved in the loop-loop interactions. Further, analysis of crystal structures and simulations in explicit water open the possibility that the Trp loop that triggers the movement of the Long loop in the unbound conformation may also play the same role in the substrate-bound conformation through its contact with the conserved and correlated third loop. Our proposition is supported by the observation that four of the five conserved positions in the third loop are at the interface with the Trp loop. Evolution appears to select residues that drive the functional Long loop to a large conformational change. These observations suggest that altering selected loop-loop interactions might modulate the movements of the functional loop.     

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The effects of data model representation method on task performance

Data models are frequently created with little thought about their layout. Our research examined how data models organized in a columnar fashion compared to equivalent data models which did not, by improving novice designer's performance in error detection, comprehension, and query construction.     

Social influences related to college students’ use of Macintosh computers on an all-PC campus

In the present qualitative research study, 35 Mac users were interviewed in a university campus that exclusively supports PC machines. We particularly explored the Mac-users’ social influences, saving technological and other influences for future reports. Results showed Mac users to possess significant connections with other Mac users on the university campus. The Mac users in our study indicated that positive, past exposure, including Apple’s advertising of Macs, had sharp influences on their decisions to become and remain Mac users.     

Enhancing the electrical conductivity of carbon black/graphite nanoplatelets: Poly(ethylene‐butyl acrylate) composites by melt extrusion

The influence of processing parameters such as screw geometry, temperature profile, and screw speed on the electrical properties of hybrid composites consisting of graphite nanoplatelets and carbon black in ethyl butyl acrylate was studied. Two different screws were used to compound the hybrid composites at two different temperatures and two different screw speeds. A beneficial effect was noted with regard to the electrical properties when adding nanoplatelets to the filler system. The cause could be a synergistic effect due to the difference in particle shape of the two fillers. Lower percolation thresholds were obtained with the conventional screw due to less breakage of the graphite nanoplatelets compared to the barrier screw. No significant changes of the electrical properties were observed when changing the temperature profiles or the screw speeds. Furthermore, the melt viscosity of the compounds was not appreciably affected at the rather low filler contents used here. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 42897.     

Making judgments about ability: The role of implicit theories of ability in moderating inferences from temporal and social comparison information.

Two studies examined the novel proposal that implicit theories of intelligence (C. S. Dweck & E. L. Leggett 1988) moderate both the effects of performance trends on ability inferences and the perceived diagnosticity of temporal versus normative feedback. Results from 613 adolescents and 42 teachers confirmed that entity theorists perceived initial outcome as more diagnostic and inferred higher ability in another (Study 1) and in the self (Study 2) in a declining outcome condition; incremental theorists perceived last outcome as more diagnostic and inferred higher ability in an ascending condition. Experimental induction of beliefs about ability had similar effects. As predicted, self-appraisal was affected more by temporal feedback among incremental theorists and by normative feedback among entity theorists. Results help resolve prior mixed findings regarding order effects and responses to temporal and normative evaluation. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Linear Operator Inequalities for Strongly Stable Weakly Regular Linear Systems

We consider the question of the existence of solutions to certain linear operator inequalities (Lur'e equations) for strongly stable, weakly regular linear systems with generating operators A, B, C, 0. These operator inequalities are related to the spectral factorization of an associated Popov function and to singular optimal control problems with a nonnegative definite quadratic cost functional. We split our problem into two subproblems: the existence of spectral factors of the nonnegative Popov function and the existence of a certain extended output map. Sufficient conditions for the solvability of the first problem are known and for the case that A has compact resolvent and its eigenvectors form a Riesz basis for the state space, we give an explicit solution to the second problem in terms of A, B, C and the spectral factor. The applicability of these results is demonstrated by various heat equation examples satisfying a positive-real condition. If (A, B) is approximately controllable, we obtain an alternative criterion for the existence of an extended output operator which is applicable to retarded systems. The above results have been used to design adaptive observers for positive-real infinite-dimensional systems. Date received: July 25, 1997. Date revised: February 10, 2001.