Use of helical parameters to generate candidate conformations for crystal packing: illustrative application to a polyimide

This communication describes the application and extension of a method for calculating the helical parameters with which to describe molecular conformations. The method, which was originally developed by Shimanouchi and others, is applied to a polyimide of 3,3′,4,4′-benzophenonetetracarboxylic dianhydride (BTDA) and 2,2-dimethyl-1,3-(4-aminophenoxy)propane (DMDA) which has eight torsional bonds in the chemical repeat unit. Discrete low energy states for these torsions were determined by Ramanchandran energy maps of sequential dihedral pairs or single bond torsional energy diagrams. The total number of possible low energy conformations for these states is 1152 including conformationally related isoenantiomorphs. The method conveniently generates the conformations for subsequent crystal structure packing and refinement. Consideration of these together with the X-ray data of Cheng and co-workers reduces the number to about 15 with about a 2/1 conformation and a c axis of approximately 49.2 Å. Of these, about half appear to be good candidates for crystal packing.     

A model of personality test item response dissimulation.

Proposes and empirically evaluates a general model of faking on self-report personality test items. The model predicts that differential test item response latencies should be faster for schema-congruent test answers than for noncongruent responses. Thus, individuals faking good should take relatively longer to endorse socially undesirable test item content than desirable test item content. Conversely, individuals faking bad should endorse socially desirable test item content relatively slower than undesirable test item content. Support for the model was found to generalize across personality inventories and across populations of university students and maximum security prisoners. Conflicting results from previous research are viewed in terms of the model. Further testing of the model's generality and practical relevance is discussed. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Relationships between identity formation and computer use among black and white emerging adult females

The purpose of this study was to examine the relationships between computer use, identity formation, and self-esteem among Black and White emerging adult females. One hundred 56 female college students participated in this study by completing a survey that included the Internet/Computer Use Questionnaire, the Ego Identity Process Questionnaire, and the Rosenberg Self Esteem Scale. Racial differences were found between Black and White females with regard to perceived problematic use of the Internet and use of the computer for communication and use of the Internet for schoolwork. In addition, differences between Black and White females were found between identity formation and problematic use of the Internet and between self-esteem and type of use of the Internet. These findings were discussed in relation to future research and interventions.     

Performance evaluation of dynamically linearized and kinematically redundant planar manipulators

The objective of this research is to investigate the feasibility of a theoretical development which could lead to advanced manipulator concepts offering fast dynamic and control features. Specifically, the application of “dynamic linearization” to a kinematically redundant planar manipulator is studied. In comparing such a manipulator with a standard non-linear, non-redundant design it is shown that in addition to the expected merits in linearity, dexterity, and computational simplicity, savings in actuator energy consumption can also be realized using a relative simple trajectory optimization scheme.     

The effect of penicillin on fatty acid synthesis and excretion inStreptococcus mutans BHT

Treatment of exponentially growing cultures ofStreptococcus mutans BHT with growth-inhibitory concentrations (0.2 μg/ml) of benzylpenicillin stimulates the incorporation of [2-¹⁴C] acetate into lipids excreted by the cells by as much as 69-fold, but does not change the amount of¹⁴C incorporated into intracellular lipids. At this concentration of penicillin cellular lysis does not occur. The radioactive label is incorporated exclusively into the fatty acid moieties of the glycerolipids. The increase in the radioactive content of the extracellular lipids reflects an actual net increase in the total fatty acid content as determined by a chemical assay. During a 4-hr incubation in the presence of penicillin, the extracellular fatty acid ester concentration (per mg cell dry weight) increases 1.5 fold, even though there is no growth or cellular lysis. No change is observed in the intracellular fatty acid ester content. An indication of the relative rate of fatty acid synthesis was most readily obtained by placingS. mutans BHT in a buffer containing¹⁴C-acetate. Under these nongrowing conditions free fatty acids are the only lipids labeled, a factor which simplifies the assay. The addition of glycerol to the buffer causes all of the nonesterified fatty acids to be incorporated into glycerolipid. The cells excrete much of the lipid whether glycerol is present or not. Addition of penicillin to the nongrowth supporting buffer system does not stimulate the incorporation of [¹⁴C]-acetate into fatty acids. However, if cells are exposed to penicillin in a growth-supporting medium and then are transferred to the nongrowing buffer system containing no penicillin, the previously exposed cells retain the ability to incorporate [¹⁴C]-acetate into fatty acid at a higher rate than untreated cells over a prolonged period of time. The stimulation of [¹⁴C]-acetate into fatty acids in this system parallels but is not dependent on the stimulation by penicillin of the incorporation of [¹⁴C]-glycerol into glycerolipid and lipoteichoic acid synthesis previously demonstrated by our laboratory. The material of this paper is part of a thesis to be submitted by J.L.B. in partial fulfillment of the requirements for the Ph.D. degree from the Department of Biochemistry, Temple University.     

Effect of trichloroethylene on the exploratory and locomotor activity of rats exposed during development

Trichloroethylene (TCE) is a common contaminant of underground water supplies. To examine the effect of TCE on the developing central nervous system, rats were exposed to TCE throughout gestation until 21 days postpartum via their dams' drinking water. TCE concentrations of 312 mg/l, 625 mg/l and 1250 mg/l were tested. Exploratory behavior was higher in 60- and 90-day old male rats which were exposed to any level of TCE. The effect of TCE-exposure on locomotor activity (running wheel) was also examined in 60-day old males (625 and 1250 ppm exposure groups). Locomotor activity was significantly higher in rats exposed to 1250 ppm TCE. These data suggest that TCE has long-term effects on behaviour.     

Induction of favism-like symptoms in the rat: Effects of vicine and divicine in normal and buthionine sulphoximine-treated rats

Rats were fed an adequate or a deficient diet and offered water or buthionine sulphoximine (BSO) solution for 2 weeks, and then the same diets with vicine for another week in experiment 1. BSO in combination with the deficient diet caused a marked decrease in blood glutathione (GSH) and growth retardation but failed to show any effects resulting from supplementation with vicine. In experiment 2 the rats were given an adequate diet and BSO as before, and injected intravenously with divicine (DV). Here again, BSO depressed rat growth, and so did DV. Each of the insults also caused haematological changes, especially a fall in GSH, but the most severe changes appeared in the group treated with both BSO and DV. A decrease in haematocrit and increases in adrenal and spleen weight were also noted. In experiment 3 the rats were injected with different doses of DV, without pretreatment with BSO. The main effect was a drop in blood GSH and haematocrit, and an increase in adrenal and spleen weights, all of which were dose-related. Administration of the higher doses of DV resulted in a severe cyanosis followed by death within a relatively short period of time.     

Aging and memory for words and action events: Effects of item repetition and list length.

We were concerned with the effects of item repetition, list length, and class of item on free recall in elderly as compared with young adults. In Experiment 1, samples of young and elderly adults recalled a list of 27 words and a list of 27 action events (minitasks performed by the subjects). Some items were presented once and some twice. Although the younger subjects showed better recall on both types of lists, the older sample benefited from item repetition as much as did the younger sample. This finding was replicated in Experiment 2. A second finding in Experiment 2 was a significant aging effect in the recall of long but not of short lists of both words and action events. The absence of an Age?×?Repetition Effect interaction was ascribed to the strength nature of the repetition manipulation. The age effects in the recall of the long lists were attributed to possible deficits in retrieval proficiency. (PsycINFO Database Record (c) 2010 APA, all rights reserved)