cssi/SciSciGPT-SciSciNet huggingface dataset:
β-strand interactions at the domain interface critical for the stability of human lens γD-crystallin

Human age-onset cataracts are believed to be caused by the aggregation of partially unfolded or covalently damaged lens crystallin proteins; however, the exact molecular mechanism remains largely unknown. We have used microseconds of molecular dynamics simulations with explicit solvent to investigate the unfolding process of human lens γD-crystallin protein and its isolated domains. A partially unfolded folding intermediate of γD-crystallin is detected in simulations with its C-terminal domain (C-td) folded and N-terminal domain (N-td) unstructured, in excellent agreement with biochemical experiments. Our simulations strongly indicate that the stability and the folding mechanism of the N-td are regulated by the interdomain interactions, consistent with experimental observations. A hydrophobic folding core was identified within the C-td that is comprised of a and b strands from the Greek key motif 4, the one near the domain interface. Detailed analyses reveal a surprising non-native surface salt-bridge between Glu135 and Arg142 located at the end of the ab folded hairpin turn playing a critical role in stabilizing the folding core. On the other hand, an in silico single E135A substitution that disrupts this non-native Glu135-Arg142 salt-bridge causes significant destabilization to the folding core of the isolated C-td, which, in turn, induces unfolding of the N-td interface. These findings indicate that certain highly conserved charged residues, that is, Glu135 and Arg142, of γD-crystallin are crucial for stabilizing its hydrophobic domain interface in native conformation, and disruption of charges on the γD-crystallin surface might lead to unfolding and subsequent aggregation.
Observed Gender Differences in Privacy Concerns and Behaviors of Mobile Device End Users

Abstract Sustaining privacy and trust is paramount in the e-Health industry between service providers and their end users. This work provides a snapshot of mobile device end user privacy concerns and behaviors. It provides descriptive statistics and utilizes an adaptation of the Westin privacy indexes to illustrate gender differences in privacy concerns. The results show an overall increase in concerns in an eleven-month period between independent samples of 989 undergraduate students. It consistently shows females reported higher concerns than their male counterparts. Mobile application developers should consider novel ways of addressing these possible differences in privacy related concerns and behaviors by gender.
Sphingolipids affect fibrinogen-induced caveolar transcytosis and cerebrovascular permeability.

Inflammation-induced vascular endothelial dysfunction can allow plasma proteins to cross the vascular wall, causing edema. Proteins may traverse the vascular wall through two main pathways, the paracellular and transcellular transport pathways. Paracellular transport involves changes in endothelial cell junction proteins, while transcellular transport involves caveolar transcytosis. Since both processes are associated with filamentous actin formation, the two pathways are interconnected. Therefore, it is difficult to differentiate the prevailing role of one or the other pathway during various pathologies causing an increase in vascular permeability. Using a newly developed dual-tracer probing method, we differentiated transcellular from paracellular transport during hyperfibrinogenemia (HFg), an increase in fibrinogen (Fg) content. Roles of cholesterol and sphingolipids in formation of functional caveolae were assessed using a cholesterol chelator, methyl-β-cyclodextrin, and the de novo sphingolipid synthesis inhibitor myriocin. Fg-induced formation of functional caveolae was defined by association and colocalization of Na+-K+-ATPase and plasmalemmal vesicle-associated protein-1 with use of Forster resonance energy transfer and total internal reflection fluorescence microscopy, respectively. HFg increased permeability of the endothelial cell layer mainly through the transcellular pathway. While MβCD blocked Fg-increased transcellular and paracellular transport, myriocin affected only transcellular transport. Less pial venular leakage of albumin was observed in myriocin-treated HFg mice. HFg induced greater formation of functional caveolae, as indicated by colocalization of Na+-K+-ATPase with plasmalemmal vesicle-associated protein-1 by Forster resonance energy transfer and total internal reflection fluorescence microscopy. Our results suggest that elevated blood levels of Fg alter cerebrovascular permeability mainly by affecting caveolae-mediated transcytosis through modulation of de novo sphingolipid synthesis.
Changes in Ability of Graduate Students in Education to Assess Own Test Performance as Related to Their Miller Analogies Scores.

105 graduate students in education, classified into three levels of Miller Analogies Test scores, were asked to estimate their performances on three major tests on statistics. The accuracy of evaluations did not change over the three tests though it was related to their level on the Miller Analogies.
Xanthones and vismiones from Psorospermum febrifugum

Abstract Two novel xanthones, psorofebrin and 5′-hydroxyisopsorofebrin, containing a fused tetrahydrofurobenzofuran ring system, two new members of the dihydr
Evidence of resistance to metals in larvae of the midge Chironomus tentans in a metal contaminated lake.

Currently the existence of toxicant resistant strains of aquatic invertebrates is of interesto Recently BRYAN (1974) noted tolerance of copper and zinc but not cadmium or lead in the polychaete Nereis diversicolor taken from polluted Engllsh estuaries. LUOMA (1977) has suggested that resistance testing may be used to indicate which contaminants are of primary concern in aquatic systems. In the current study, chlronomid larvae (Chironomus tentans) were collected from two areas, one contaminated by heavy metals and one uncontaminated, of Palestine Lake, Indiana, and subjected to a series of laboratory tests to determine if metal resistant strains have developed within the lake.
Cooperative arrangement of self-assembled Ge dots on pre-grown Si mesas

In this work, we report on the study of one-dimensional (1-D) and two-dimensional (2-D) cooperative arrangements of self-assembled Ge dots grown on patterned Si (001) substrates. Selective epitaxial growth (SEG) of Si mesas was first performed to form Si mesas before Ge deposition. Self-assembled growths of Ge dots with variable Ge amount have been carried out. It is found that the cooperative arrangements of Ge dots are dependent on Ge amount deposited. The cooperative arrangements is attributed to the self-regulation of the dot size and position, which is driven by the minimization of the total free energy including strain energy, surface energy and deformation repulsive energy. This cooperative arrangement promoted by the energetically preferential nucleation on Si mesas allows us to control the placement of the self-assembled dots at the specific positions.
The Biobehavioral Model of Persuasion: Generating Challenge Appraisals to Promote Health

By borrowing from the biopsychosocial model of challenge and threat, we may understand when health communications adequately motivate behavior change or when they are overly distressing and inhibit behavior change. The present studies were guided by the biobehavioral model of persuasion, which predicts that different health appeals should evoke different appraisals, as well as psychological and physiological responses that motivate the adoption or rejection of health behaviors. Challenging messages should be associated with approach motivational tendencies, whereas threatening messages should be linked to avoidance. Findings from 2 experiments support the biobehavioral model of persuasion and offer mechanisms that confer message effectiveness. By understanding the psychological and physiological processes that drive message effectiveness, message designers can create more effective health appeals. jasp_510 1928..1952
Density and viscosity of binary mixtures of propan-2-ol, 1-chlorobutane, and acetonitrile

Densities and viscosities were measured for the three binary mixtures formed by propan-2-ol, 1-chlorobutane, and acetonitrile at (293.15, 303.15, 313.15, and 323.15) K. Excess volumes and viscosity deviations from the mole fraction average were derived. The kinematic viscosities were compared with McAllister's model.
SPACE-TIME TUNNELING BOSONIZATION : AN APPLICATION TO THE N-COUPLED LUTTINGER CHAINS

The space-time tunneling bosonization has been introduced to study N-coupled Luttinger liquids. The interaction is separated into a forward exchange and a cooperon part. At T=0 the cooperon part is described by tunneling events which form a Coulomb gas in the plasma phase. At T\ensuremath{\ne}0 we ignore the cooperon part and show that the correlation functions show a Luttinger-liquid behavior. In the limit N\ensuremath{\rightarrow}\ensuremath{\infty}, we extract the two-dimensional behavior and show that for a certain range of parameters the Luttinger liquid survives.
Buffered Hypertonic Saline Nasal Spray and Gel As Treatment Modifiers in Allergic and Vasomotor Rhinitis

Buffered Hypertonic Saline Nasal Spray and Gel As Treatment Modifiers in Allergic and Vasomotor Rhinitis: 905 J. Hausfeld; The Journal of Allergy and Clinical Immunology
Incompleteness of the Giulietti-Ughi arc for large primes

In this paper we show that for large primes the Giulietti-Ughi arcs in PG(2,p^2) are not complete. In the second half of the paper we extend the original arc.
Structural effects on photophysical processes in saturated amines

Abstract The photophysical properties of the highly symmetrical (D 3h ) cage amine 1,4-diazabicyclo (2.2.2) octane, DABCO, and its analog, 2-methyl DABCO, have been investigated in the vapor phase and in n -hexane solution at 23°C. In DABCO vapor, a weak, long wavelength (2800-2600A) absorption system is identified as the S 1 ←S 0 transition. Data obtained from the vapor phase absorption and emission spectra for both diamines imply that methylation results in little change in the lone-pair coupling; on the other hand, there appears to be a significant configuration change in 2-methyl DABCO such that the S 0 and S 1 geometries are more similar in this amine. Moreover, measurements of the radiative and nonradiative rate constants reveal that methylation appreciably enhances both radiative and nonradiative relaxation, the latter being much more strongly affected. For the two amines, the radiative and nonradiative rate constants are larger in n -hexane solution than in the vapor phase. The relative increase is greater for DABCO, where the dominant effect is on the nonradiative rate constant(s). From results of dynamic and steady state fluorescence quenching of DABCO vapor by n -hexane vapor, it is suggested that both the radiative and nonradiative rate constants are augmented. These mechanism do not appear to be simple.
Element synthesis calculations for stellar explosions: robust uncertainties, sensitivities, and radioactive ion beam measurements

We utilize multiple-zone, post-processing element synthesis calculations to determine the impact of recent ORNL radioactive ion beam measurements on predictions of novae and X-ray burst simulations. We also assess the correlations between all relevant reaction rates and all synthesized isotopes, and translate nuclear reaction rate uncertainties into abundance prediction uncertainties, via a unique Monte Carlo technique.
Automated Verification of Completeness and Consistency of Abstract State Machine Specifications using a SAT Solver

Abstract In the requirements engineering community, consistency and completeness have been identified as important properties of system specifications. Custom algorithms to verify these properties automatically have been devised for a number of specification languages, including SCR, RSML, and Statecharts. In this paper, we provide means to automatically verify completeness and consistency of Abstract State Machine (ASM) specifications. The verification is performed using a widely available tool, a SAT solver. The use of a SAT solver removes the need for designing and fine tuning language specific verification algorithms. Furthermore, the use of a SAT solver automates the verification procedure and produces a counterexample automatically when a specification is incomplete or inconsistent. We provide an algorithm to translate ASM specifications to a SAT problem instance. The translation is illustrated using the TASM toolset in conjunction with the “production cell system” case study.
Psoriasis improvement after bariatric surgery.

Abstract Background Psoriasis is a chronic inflammatory skin disease known to be associated with obesity and metabolic syndrome. Single case reports and small series suggest remission or improvement after bariatric surgery, hypothetically through a GLP-1 mediated mechanism. The objective of this study was to investigate on the effect of bariatric surgery on the clinical behavior of psoriasis in obese patients. Methods A total of 33 morbidly obese individuals with psoriasis who were on active medical treatment were identified. Demographic characteristics and follow-up data were extracted from our database. Medication usage and percentage of affected body surface area (%ABSA) were recorded preoperatively and at least 6 months after bariatric surgery. Results Nine (27.2%) patients were on systemic therapy at baseline. At a mean follow-up time of 26.2±20.3 months, a mean excess weight loss (EWL) of 48.7± 26.6% was achieved. This was associated with improvement of psoriasis based on downgrade of medication and %ABSA in 30.3% and 26.1% of patients, respectively. In total, 13 of 33 patients (39.4%) had improvement based on either criteria. Eight (24.2%) patients were not on any psoriasis medication at the latest follow-up ( P = .001). Older age at the time of surgery (54.8±8.1 versus 48.1±10.4 years, P = .047), Roux-en-Y gastric bypass versus nonbypass procedures (52.4% versus 16.7%, P = .043), and greater EWL (64.2±26.0% versus 43.4± 23.6%, P = .036) predicted improvement. Only 1 (3%) patient experienced worsening after surgery. Conclusion Almost 40% of our cohort showed improvement of psoriasis several months after bariatric surgery. Improvement is directly related to the degree of postoperative weight loss and is associated with the Roux-en-Y configuration.
Stimulus redundancy and immediate recall.

This study examined immediate recall in two stimulus prefix and two stimulus suffix conditions and in a condition that combined a prefix and suffix. Suffixes and the combination of a prefix with a suffix interfered more with recall overall than did prefixes. Performance in each of the conditions that included a prefix was significantly better overall than in appropriate control conditions, in which interference was augmented by a redundant element in recall. It was suggested that prefixes and suffixes lie operationally on a continuum and that their effects result from the subject's inability to dissociate the redundant element from the memory series. However, the location of redundancy imposes different processing requirements that differentially influence recall. This experiment derives, on the one hand, from studies of the stimulus prefix effect (e.g., Neisser, Hoenig, & Goldstein, 1969) and, on the other, from studies of the stimulus suffix effect (e.g., Morton, Crowder, & Prussin, 1971). In the cases of both the stimulus prefix and stimulus suffix, a redundant element, such as the word "zero," is included in the memory stimulus, a series of seven or eight digits, but is not required in recall. In both cases, the redundant element is presented in rhythm with the memory series and in the same modality. The two cases lie operationally on a continuum identified by the location of the redundant element in the presentation of the memory series; the redundant zero precedes the memory series in the one case and follows it in the other. While the inhibitory effect on overall recall may be about the same in these two cases, the inhibitory effect of the stimulus prefix is distributed equally over all items, whereas the effect of the stimulus suffix is specific to the terminal items of the memory series. Different theoretical explanations have been advanced for these two effects. A stimulus prefix is presumed to increase the length of the memory stimu­ lus and, therefore, the overall load on memory, because the prefix cannot be dissociated from the memory series proper (Neisser, Hoenig, & Goldstein, 1969). However, the effect of the stimulus suffix is thought to be mediated by a precategorical acoustic storage (PAS) mechanism; a stimulus suffix increases the retention interval and, more importantly, is presumed to degrade the echoic traces of the terminal items of the memory series (Morton, Crowder, & Prussin, 1971).
Modeling of industrial energy consumption: An introduction and context

Industrial energy accounts for roughly one third of total global energy consumption, and is expected to continue to use a similar share in the foreseeable future. However, this is one of the hardest end-uses to analyze, model and forecast. The reasons for modeling industrial energy consumption are as varied as the ways in which energy is used in production processes. This has led to the application of a broad set of emperical tools from several different disciplines. In this article, we provide an introduction and context for a compendium or survey of the methods used in this area. This special issue of Energy Economics is designed to provide both newcomers and accomplished researchers with an overview of the current state of development in the are of industrial energy modeling.
Surface field analysis of splitting of orbitals of atoms and ions approaching a metal surface

The splitting of p- and d-orbitals of an atom or an ion which is caused by the locally varying potential near the surface of a realistic metal has been studied for bcc and fcc substrates. A quasi-ionic model is reasonable at close distance, inasmuch as the electron gas does not completely screen the ionic cores. The arrangement of ion cores near the surface causes the potential to vary in three dimensions. Expressions for energy levels were derived for an unsymmetric group using the quasi-ionic model and techniques used in the treatment of crystal field of nearest neighbors. A number of cases involving ions, as well as atoms in the vicinity of a metal substrate were numerically evaluated.
A pan-HPV vaccine based on bacteriophage PP7 VLPs displaying broadly cross-neutralizing epitopes from the HPV minor capsid protein, L2.

Background Current human papillomavirus (HPV) vaccines that are based on virus-like particles (VLPs) of the major capsid protein L1 largely elicit HPV type-specific antibody responses. In contrast, immunization with the HPV minor capsid protein L2 elicits antibodies that are broadly cross-neutralizing, suggesting that a vaccine targeting L2 could provide more comprehensive protection against infection by diverse HPV types. However, L2-based immunogens typically elicit much lower neutralizing antibody titers than L1 VLPs. We previously showed that a conserved broadly neutralizing epitope near the N-terminus of L2 is highly immunogenic when displayed on the surface of VLPs derived from the bacteriophage PP7. Here, we report the development of a panel of PP7 VLP-based vaccines targeting L2 that protect mice from infection with carcinogenic and non-carcinogenic HPV types that infect the genital tract and skin. Methodology/Principal Findings L2 peptides from eight different HPV types were displayed on the surface of PP7 bacteriophage VLPs. These recombinant L2 VLPs, both individually and in combination, elicited high-titer anti-L2 IgG serum antibodies. Immunized mice were protected from high dose infection with HPV pseudovirus (PsV) encapsidating a luciferase reporter. Mice immunized with 16L2 PP7 VLPs or 18L2 PP7 VLPs were nearly completely protected from both PsV16 and PsV18 challenge. Mice immunized with the mixture of eight L2 VLPs were strongly protected from genital challenge with PsVs representing eight diverse HPV types and cutaneous challenge with HPV5 PsV. Conclusion/Significance VLP-display of a cross-neutralizing HPV L2 epitope is an effective approach for inducing high-titer protective neutralizing antibodies and is capable of offering protection from a spectrum of HPVs associated with cervical cancer as well as genital and cutaneous warts.
Instruction effects on size and distance judgments.

The hypotheses that size judgments of unfamiliar objects are affected by distance informa­ tion, and distance judgments by size information, were tested. Subjects made size or distance estimates in a cue-reduced situation, with or without distance or size information, and also made calibrated estimates in full-cue conditions. Size judgments in the no-information condition were correlated with the retinal image, whereas distance information produced size estimates closer to the actual size of the objects. Subjects given no information about size produced dis­ tance estimates that were randomly distributed, whereas size information yielded a weak effect in the appropriate direction. Implications for the size-distance invariance hypothesis and the specific distance tendency are discussed. No previous investigation has assessed both the effects of size information on distance judgments and the effect of distance information on size judg­ ments for varying retinal images. The purpose of the present study was to investigate these variables in a single experimental setting in which cue reduction was assured. The majority of the studies in this area focus on size or distance judgments under familiar size in­ structions or with off-sized familiar objects. Several studies (Fitzpatrick, Pasnak, & Tyer, 1982; Gogel, 1968; Gogel & Mertens, 1967) have shown that the judged size of a familiar object corresponds very well to its real size, and judged distance corresponds to the actual distance at which that size would produce the given retinal size. In other studies (Baird, 1963; Park & Michaelson, 1974), an object is presented and the observer is told that it is the same size as a fa­ miliar object; distance judgments correspond quite well to the distance at which that object would pro­ duce the given retinal image. It is not clear what the effect would be if an instruc­ tion regarding an object's size was not associated with a familiar object. In this case, an observer would have to interpret the object in terms of the retinal image and cognitive information. Coltheart (1970) reported that subjects could do this very well; Park and Michaelson (1974), on the other hand, reported that size instruction had no effect on dis­ tance judgments. Since it is not possible to determine why these results differ, the present experiment was undertaken, in part, as an attempt to resolve this con­ flict.
The effects of retinoic acid on mitosis during tail and limb regeneration in the axolotl larva, Ambystoma mexicanum.

Regenerating tails and limbs of axolotl larvae (A. mexicanum) were studied for overall growth and for mitosis after the animals received intraperitoneal injections of all-trans retinoic acid. Both processes were depressed to approximately the same extent (60–70%). Some mitosis always survived, even when the treatment was in effect during the entire history of the regenerate. The treatment duration was a major variable in the severity of the effect, whereas the post-amputation age of the regenerate was not. In limb regenerates the epithelial cap and the mesenchymal blastema were affected to roughly the same degree.
Framing dilemmas during sex: A micro-sociological approach to HIV risk

Theoretical explanations of HIV transmission within the broader contexts of cultural and social macro-structures have downplayed the significance of interactional mechanisms that facilitate HIV infection at the micro-level. In the process, the framing and ritual constraints of the interaction order – the Goffmanian face-to-face – have been undertheorized. This paper explores interactional mechanisms of HIV transmission through rigorous analysis of micro-dilemmas of HIV ‘health cooperation’ during sex. For this purpose I bring key insights from the social dilemmas literature into micro-sociological analysis of frames and meta-communication. Based on sexual narratives of Mexican gay and bisexual immigrant men in San Diego, California, I find two types of meta-frame switching during sexual encounters: protective versus trusting. I argue that the elaborate framing demands of a sexual event render choice inherently unstable, and that competing choices in connection with HIV risk and protection typically emerge and switch in the course of a single encounter. Moreover, I further argue that switching into trusting frames can be especially risky for those gay immigrant men who intersect with sexual networks that follow individualistic discourses of HIV non-disclosure. I conclude by discussing the HIV prevention implications of this analysis.
Fractional charges and quark confinement

Under the hypothesis of quark confinement, the existence of free fractional electric charges requires the existence of other basic particles with unusual properties. If they are constituents of hadrons, they must have (for baryon number 1/3) electric charge other than +2/3 modulo unity, or they could be fractionally charged particles without strong interactions. Both possibilities are discussed; e/sup +/e/sup -/ machines appear to offer the best possibility for finding them.
The myth of German money during the first world war

(1976). The myth of German money during the first world war. Soviet Studies: Vol. 28, No. 1, pp. 83-90.
Versatile tuning of supramolecular hydrogels through metal complexation of oxidation-resistant catechol-inspired ligands

The mussel byssal cuticle employs DOPA-Fe3+ complexation to provide strong, yet reversible crosslinking. Synthetic constructs employing this design motif based on catechol units are plagued by oxidation-driven degradation of the catechol units and the requirement for highly alkaline pH conditions leading to decreased performance and loss of supramolecular properties. Herein, a platform based on a 4-arm poly(ethylene glycol) hydrogel system is used to explore the utility of DOPA analogues such as the parent catechol and derivatives, 4-nitrocatechol (nCat) and 3-hydroxy-4-pyridinonone (HOPO), as structural crosslinking agents upon complexation with metal ions. HOPO moieties are found to hold particular promise, as robust gelation with Fe3+ occurs at physiological pH and is found to be largely resistant to oxidative degradation. Gelation is also shown to be triggered by other biorelevant metal ions such as Al3+, Ga3+ and Cu2+ which allows for tuning of the release and dissolution profiles with potential application as injectable delivery systems.
Income-Tax Revision as Proposed by Irving Fisher

What is ordinarily called income, and what the law calls income, may be divided into two parts, called savings and spendings. The exact distinction between these two is not so clear-cut as may at first appear, since spending is often for satisfactions spread over a considerable time in the future, and since savings yield a present satisfaction through the security, power, and independence they confer as well as the future satisfactions from the goods for which the savings may eventually be spent. Nevertheless the distinction can be made, somewhat roughly, when the satisfactions arising from the possession of savings are neglected, and when depreciation accounts are kept for such articles as family automobiles, furniture, and fur coats as well as for business property.
Intraclass Correlation Values for Planning Group-Randomized Trials in Education:

Experiments that assign intact groups to treatment conditions are increasingly common in social research. In educational research, the groups assigned are often schools. The design of group-randomized experiments requires knowledge of the intraclass correlation structure to compute statistical power and sample sizes required to achieve adequate power. This article provides a compilation of intraclass correlation values of academic achievement and related covariate effects that could be used for planning group-randomized experiments in education. It also provides variance component information that is useful in planning experiments involving covariates. The use of these values to compute the statistical power of group-randomized experiments is illustrated.
Observations on the secretory processes in the corpus cardiacum of the stick insect, Carausius morosus.

The organization of the corpora cardiaca and of the nerve tracts linking these with the brain of the stick insect has been examined in the electron microscope. Particular attention has been paid to the appearance of neurosecretory products within the axons of the nervi corporis cardiaci, and within the cell processes of the intrinsic secretory neurons of the corpus cardiacum; these observations are considered to be an essential preliminary to a consideration of the mechanism of release of secreted products from the organ into the ambient haemolymph. The corpus cardiacum contains cells of three main categories: axons of neurons located in the brain, intrinsic secretory neurons, and glial cells. Within the organ the cellular components form a loosely knit tissue incorporating ramifying extracellular spaces confluent with the haemolymph via the peripheral basement-membrane sheath of the organ. The present electron-microscopic account relates particularly to the mode of release of neurosecretory products into the extracellular milieu. This evidence indicates that the corpus cardiacum is the site of release of both extrinsic and intrinsic secretions, but does not support the suggestion that intrinsic neurosecretory materials synthesized within the corpus cardiacum are discharged via axon terminals at sites outside the corpus cardiacum. It is suggested that release of both extrinsic and intrinsic material takes place by fusion of the membrane surrounding the neurosecretory droplet with the plasma membrane of the nerve cell in regions where the glial sheath is absent. The evidence on the mechanism of extrusion of materials initially secreted and sequestered within nerve cells and their processes is described and discussed in terms of present concepts of the passage of neural and other materials across plasma membrane boundaries. It is stressed that, in this functionally versatile organ, the electron microscope may reveal the mechanism of release of active neurohumoral materials, but is at present unable to differentiate between the rich variety of these pharmacologically active products which affect numerous target organs throughout the body.
Ab initio and nonempirical MODPOT/VRDDO calculations on drugs, carcinogens, suspected teratogens, and biomolecules

In this paper are presented our recent nonempirical ab initio MODPOT/VRDDO calculations on a variety of drugs and biomolecules: nucleic acid constituents, normal neurotransmitters and their metabolites, carcinogens and their activated metabolites, and attack of these on DNA constituents, and suspected teratogens. The MODPOT/VRDDO method incorporates two very desirable options into our own fast ab initio Gaussian programs: MODPOT-ab initio effective core model potentials and a charge-conserving integral prescreening approximation which we named vrddo (variable retention of diatomic differential overlap). For orbital energies and population analyses the MOD-POT/VRDDO results agree to essentially three decimal places with those of completely ab initio calculations with the same valence atomic basis set. Also included is a discussion of some molecular electrostatic potential contour maps, which in collaboration with Petrongolo were generated from previously calculated ab initio wave functions to illustrate comparisons of such maps from large basis set and minimal basis set ab initio calculations as well as from CNDO wave functions. Such maps allow a cogent comparison of pharmacophores in molecules that exert a similar pharmacological effect by the same mechanism. An example of such a comparison is discussed for electrostatic potential contour maps generated from our previous ab initio wave functions on morphine (a narcotic agonist) and nalorphine (a narcotic agonist-antagonist).
Effect of trans‐ and cis‐isomeric defects on the localization of the charged excitations in π‐conjugated organic polymers

We use the long-range-corrected hybrid density functional theory models to study the effect of various conformational distortions of weak-trans and strong-cis nature on the spatial localization of charged states in poly(p-phenylene vinylene) (PPV) and its derivative poly[2-methoxy-5-(2′-ethylhexyloxy)-p-phenylene vinylene] (MEH-PPV). The extent of self-trapping of positive (P+) and negative (P−) polarons is observed to be highly sensitive to molecular conformation that, in turn, controls the distribution of atomic charges within the polymers. It is shown that, to reach good agreement with recent experimental data on lattice distortion for P+ and P− excitations, the polarization of the medium plays a critical role. The introduction of weak-trans defects along the MEH-PPV chain breaks the observed symmetry for P+ and P− excitations. The P− states exhibit more spatial localization owing to lattice relaxation than their vacuum counterparts in contrast to P+. These observations suggest higher mobilities of holes than that of electrons in MEH-PPV, in agreement with the experimental observations. The predicted binding, reorganization, and solvation energies for PPV and MEH-PPV are analyzed for this difference in the response behavior of holes and electrons for trans and cis distortions. This study allows for a better understanding of charge-transport and photophysical properties in π-conjugated organic materials by analyzing their underlying structure–property correlations. © 2013 Wiley Periodicals, Inc.1 J. Polym. Sci., Part B: Polym. Phys. 2013, 51, 935–942
Odor Provocation Test for Laryngeal Hypersensitivity

This study was to present an odor provocation/challenge test for laryngeal hypersensitivity in a suspected odor induced dysphonic patient. The second aim was to rule out secondary gain from organic laryngeal hypersensitivity. Two steps were taken for this purpose. First, because the evaluation of hypersensitivity may be affected by the perception of odor, the study investigated laryngeal hypersensitivity during nasal and oral breathing separately to disentangle possible cognitive reactions to odors. Second, a healthy control (HC) participant was used with the identical testing protocol for nasal breathing to minimize unbiased results. The HC's response to nasal breathing of the odors showed no response to all the stimuli. The participant with possible secondary gain issues responded differently to the odors when presented nasally versus orally. Oral breathing showed less severe and less frequent laryngeal hypersensitive reactions. This suggests that laryngeal hypersensitivity was either due to the odor, cognitive information, sensory changes in olfaction leading to psychological conditioning, or for any possible secondary gain. Hence, it is difficult to indicate the precise reason (cause and effect) for the participant's laryngeal hypersensitivity; however, this study describes the first structured, controlled, repeatable, and randomized design to investigate odor induced laryngeal hypersensitivity and decipher possible secondary gain from true laryngeal hypersensitivity.
An optimizing compiler for batches of temporal logic formulas

Model checking based on validating temporal logic formulas has proven practical and effective for numerous software engineering applications. As systems based on this approach have become more mainstream, a need has arisen to deal effectively with large batches of formulas over a common model. Presently, most systems validate formulas one at a time, with little or no interaction between validation of separate formulas. This is the case despite the fact that, for a wide range of applications, a certain level of redundancy between domain-related formulas can be anticipated.This paper presents an optimizing compiler for batches of temporal logic formulas. A component of the Carnauba model checking system, this compiler addresses the need to handle batches of temporal logic formulas by leveraging the framework common to optimizing programming language compilers. Just as traditional optimizing compilers attempt to exploit redundancy and other solvable properties in a program to reduce the demand on a runtime system, this compiler exploits similar properties in groups of formulas to reduce the demand on a model checking engine. Optimizations are performed via a set of distinct, interchangeable optimization passes operating on a common intermediate representation. The intermediate representation captures the full modal mu-calculus, and the optimization techniques are applicable to any temporal logic subsumed by that logic. The compiler offers a unified framework for expressing some well understood single-formula optimizations as well as numerous inter-formula optimizations that capitalize on redundancy, logical implication, and, optionally, model-specific knowledge. It is capable of working either in place of, or as a preprocessor for, other optimization algorithms. The result is a system that, when applied to a potentially heterogeneous collection of formulas over a common problem domain, is able to measurably reduce the time and space requirements of the subsequent model checking engine.
Electrical properties of low-temperature pyrolytic SiO2 on InP

The first application of a new technique (SiH4 + O2 at 83–330°C and 2–12 torr) for deposition of SiO2 on InP is reported. SiO2 deposited at 150–330°C has breakdown strength of 8–10MV/cm, resistivity > 1015 Ωcm, and refractive index of 1.45–1.46 comparable to thermal SiO2 grown at 1100°C/V measurements on Al/SiO2/InP MIS structures suggest that very low temperature oxides (90–100°C) have the best interfacial properties.
Temporal sampling frame selection in DNA-based capture–mark–recapture investigations

Abstract Capture–mark–recapture (CMR) population parameter estimation utilizing DNA analysis from remotely-collected hair samples to identify individuals and generate encounter histories has become the standard methodology for estimating abundance of American black (Ursus americanus) and grizzly bear (U. arctos) populations. However, few published studies have examined the time frame for efficiently collecting high-quality hair samples. Our objectives were to examine several measures of hair trapping success and sample quality, such as DNA amplification rates and the mean number of black bear hair samples collected per trap visit, from hair-snare samples collected in 2 non-overlapping, multi-interval sampling frames conducted during 2005 and 2006 at Fort Drum Military Installation in northern New York. Through our data analyses and a review of 12 other bear CMR studies using remote hair sampling, we emphasize that temporal sampling frame is a crucial consideration in study design. To avoid biased populati...
Differential effects of the Swedish mutant amyloid precursor protein on β-amyloid accumulation and secretion in neurons and nonneuronal cells

Expression of the Swedish ΔNL mutation in the β-amyloid precursor protein (APPΔNL) dramatically increases Aβ generation in nonneuronal cell lines, although it is unclear whether intracellular levels of β-amyloid (Aβ) are also elevated after APPΔNL expression. Furthermore, the effects of expressing APPΔNL in neurons on the production and secretion of Aβ-(1–40) and Aβ-(1–42) are unknown. To address these issues, we examined the generation of both intracellular and secreted Aβ-(1–40) and Aβ-(1–42) in human neuronal NT2N cells, in primary rat astrocytes, and in Chinese hamster ovary cells engineered to express wild-type APP or APPΔNL using a recombinant Semliki Forest virus expression system. Expression of APPΔNL led to a marked increase in APPβ and the C-terminal fragment containing the entire Aβ sequence (C99) in all cells tested. However, a dramatic elevation of intracellular and secreted Aβ-(1–40) and Aβ-(1–42) was seen only in astrocytes and Chinese hamster ovary cells. The ΔNL mutation did not cause a significant increase in intracellular or secreted Aβ-(1–40) or Aβ-(1–42) in NT2N cells. Since NT2N cells expressing APPΔNL accumulate much higher levels of C99 than cells expressing wild-type APP, we conclude that the rate-limiting step in Aβ production could be the further processing of C99 by γ-secretase in these cells. These results show that the Swedish ΔNL mutation causes nonneuronal cells to process APP via pathways more in common with the metabolism of wild-type APP in neurons.
A pilot study to test the efficacy of oral administration of interferon-α lozenges to patients with Sjögren's syndrome

Background. Complications from Sjogren's syndrome-induced xerostomia may cause a significant disruption in daily routines such as speech and eating habits. In addition, the reduction in salivary output may lead to increased incidence of caries, oral ulcers, sialadenitis, periodontal problems, and Candida infections. Interferon-α has been suggested as an effective drug therapy to increase salivary output. Objective. The objective was to test the efficacy of interferon-α lozenges in relieving the symptoms of dry mouth and dry eyes when administered orally to patients with Sjogren's syndrome in double-blind placebo-controlled and open-label trials. Study design. Twelve patients with a diagnosis of primary Sjogren's syndrome were provided an Institutional Review Board-approved, written informed-consent form. During the double-blind placebo-controlled study they were randomized to receive 150 IU of interferon-α (8 patients) or placebo (4 patients) for 24 weeks with 6-week reevaluations. Five patients who received interferon-α in the double-blind placebo-controlled trial were treated in an open-label study for another 24 weeks. Whole saliva was measured during each visit, and symptoms were assessed by questionnaires and visual analog scales. The Wilcoxon signed rank test was used to detect significant changes for each variable. Results. The results indicated that, by the end of 24 weeks, patients who received interferon-α had a statistically significant improvement in unstimulated salivary flow rate (P <.05), and statistically significant changes were observed in the median ocular dryness visual analog scale (P <.05) and oral dryness visual analog scale (P <.05). No significant changes were observed among the placebo patients. By the end of 48 weeks, medicated patients had better results than they had at the end of the double-blind placebo-controlled study and showed improvements in whole stimulated salivary flow rate, conditions of throat, and swallowing dry food. Conclusion. Oral administration of 150 IU interferon-α 3 times a day for the patients with primary Sjogren's syndrome improved saliva production, relieved symptoms of xerostomia and xerophthalmia, and was well tolerated by the patients. (Oral Surg Oral Med Oral Pathol Oral Radiol Endod 2003;95:38-44)
Cell signaling and ion transport across the fish gill epithelium

A large array of circulating and local signaling agents modulate transport of ions across the gill epithelium of fishes by either affecting transport directly or by altering the size and distribution of transporting cells in the epithelium. In some cases, these transport effects are in addition to cardiovascular effects of the same agents, which may affect the perfusion pathways in the gill vasculature and, in turn, affect epithelial transport indirectly. Prolactin is generally considered to function in freshwater, because it is the only agent that allows survival of some hypophysectomized fish species in freshwater. It appears to function by either reducing branchial permeability, Na,K-activated ATPase activity, or reducing the density of chloride cells. Cortisol was initially considered to produce virtually opposite effects (e.g., stimulation of Na,K-activated ATPase and of chloride cell size and density), but more recent studies have found that this steroid stimulates ionic uptake in freshwater fishes, as well as the activity of H-ATPase, an enzyme thought to be central to ionic uptake. Thus, cortisol may function in both high and low salinities. Growth hormone and insulin-like growth factor appear to act synergistically to affect ion regulation in seawater fishes, stimulating both Na,K-activated ATPase and Na-K-2Cl co-transporter activity, and chloride cell size, independent of their effects on growth. Some of the effects of the GH-IGF axis may be via stimulation of the number of cortisol receptors. Thyroid hormones appear to affect seawater ion regulation indirectly, by stimulating the GH-IGF axis. Natriuretic peptides were initially thought to stimulate gill ionic extrusion, but recent studies have not corroborated this finding, so it appears that the major mode of action of these peptides may be reduction of salt loading by inhibition of oral ingestion and intestinal ionic uptake. Receptors for both arginine vasotocin and angiotensin have been described in the gill epithelium, but their respective roles and importance in fish ion regulation remains unknown. The gill epithelium may be affected by both circulating and local adrenergic agents, and a variety of studies have demonstrated that stimulation of alpha-adrenergic versus beta-adrenergic receptors produces inhibition or stimulation of active salt extrusion, respectively. Local effectors, such as prostaglandins, nitric oxide, and endothelin, may affect active salt extrusion as well as gill perfusion. Recent studies have suggested that the endothelin inhibition of salt extrusion is actually mediated by the release of both NO and prostaglandins. It is hoped that modern molecular techniques, combined with physiological measurements, will allow the dissection of the relative roles in ion transport across the fish gill epithelium of this surprisingly large array of putative signaling agents.
A Flexible Lens Design Program System

Since the introduction of digital computer techniques to lens design more than a decade ago, steady progress has been made in auto-mating, or partially automating, this conceptual process.© (1966) COPYRIGHT SPIE--The International Society for Optical Engineering. Downloading of the abstract is permitted for personal use only.
Activists, Allies, and Racists Helping Teachers Address Racism Through Picture Books

Teachers often resist discussions about racism in the classroom, yet it is a topic that is frequently addressed in multicultural literature. This study examines teachers in a graduate reading program (N = 58) who used picture books reflecting African American heritage with elementary school children in a summer reading practicum. Prior to teaching children, a subset of these teachers participated in a course that addressed issues of racism, allowing for an investigation of a course effect on teachers’ comfort level with the literature and their addressing of themes that surfaced in the books. Qualitative and quantitative methods were used to analyze questionnaires, planning forms, lesson evaluation forms, and transcripts of teachers using the books to test the hypothesis of a course effect and to identify the range of variation in teachers’ ways of using the literature. The teachers in both “course” and “comparison” groups tended to focus on the perspectives, feelings, and traits of the story protagonists...