cssi/SciSciGPT-SciSciNet huggingface dataset:
Interplay of Experiment and Theory in Determining Molecular Geometries A. The Experiments

This chapter and the following one are not intended as monographs for specialists, but rather are directed toward those seeking an overview of the experimental and theoretical methods available for determining molecular structure as a probe of the nature of chemical bonding. Since the modern trend in structural chemistry is in the direction of correlatiing and integrating all possible approaches to obtain the desired information, the present chapter on experimental methods may be of some value to the theoretician and the following one on theory may be of help to experimentalists. No rigorous derivation of the methods will be attempted, but an effort will be made to point out certain limitations of the various techniques and to offer some precautions that the reader of papers in the diverse fields may wish to keep in mind.
Automated reflective optical system alignment with focal plane sensing and Kalman filters

Automated alignment can significantly reduce the time and labor costs in optical system setup and maintenance, especially for space and remote, ground-based telescopes where manual adjustment remains difficult. We demonstrate an automated alignment technique on a multi-element reflective system using pure focal plane sensing and model-based optimal estimation and control. Using either an iterated extended Kalman filter or a square-root unscented Kalman filter, we are able to consistently bring the linear misalignments from around 1 mm to < 5 μm and the angular misalignments from around 500 arcsec to < 6 arcsec in simulation. Combined with our lab's previous work, we can generalize this auto-aligning technique to more complex optical systems with multiple reflective and refractive elements.
A spectral method for fast sensitivity analysis: Perfectly stirred reactors

Abstract A new spectral method is proposed to speedup sensitivity analysis (SA) for ignition and extinction of perfectly stirred reactors (PSR). The method takes advantage of the linear dependency in the stoichiometric coefficient vectors of the elementary reactions in detailed kinetic mechanisms. Compared with the conventional SA that needs to perturb each elementary reaction, the spectral method lumps the elementary reactions into a smaller set of semi-global reactions that are basis vectors for the elementary reaction set, and perturbs each semi-global reaction instead. The sensitivities for the elementary reactions are then computed as linear combinations of the sensitivities for the semi-global reactions. As a result, the computational cost of the spectral method scales as the number of species, while that of the conventional method scales as the number of reactions. The proposed method is demonstrated for PSR extinction using a detailed H2 mechanism.
Continuous Security through Integration Testing in an Electronic Health Records System

The estimated average cost of a healthcare data breach in 2019 was $6.45 million, which is the highest among all industries. Yet, security remains an afterthought in many digital health applications. Formal methods for testing for bugs are commonplace in software development through the use of unit testing, integration testing, system testing, and acceptance testing. More so, in modern software engineering, continuous integration is a well-known concept to run automated tests soon after any code change, when the system builds and notifies the development team of the test results. In this paper, we describe the use of a popular Python unit testing framework to implement a formal method of security testing. Common Vulnerability Scoring System (CVSS) is used to calculate metrics that represent the state of security of a deployed system. We developed a series of Pytest Behavioral Driven Development (BDD) scripts to test the Authentication and Availability of a widely used Electronic Health Records System called OpenMRS. The advantage of using the BDD approach is that testing scripts, called Gherkin files, can be read, and understood by the developers as well as the non-developer stakeholders. The use of Gherkin serves two purposes: firstly, it serves as the project’s documentation, and secondly, it automates the tests. The use of the CVSS score between 0 to 10 becomes an objective metric to compare every code change, thus achieving continuous security. We plan to expand BDD scripts to attacks like Denial of Service, Session Hijacking, SQL Injection, and other privilege escalation attacks.
An Interface for the Direct Coupling of Small Liquid Samples to AMS.

We describe the moving wire interface attached to the 1-MV AMS system at LLNL’s Center for Accelerator Mass Spectrometry for the analysis of nonvolatile liquid samples as either discrete drops or from the direct output of biochemical separatory instrumentation, such as high-performance liquid chromatography (HPLC). Discrete samples containing at least a few 10 s of nanograms of carbon and as little as 50 zmol 14C can be measured with a 3–5% precision in a few minutes. The dynamic range of our system spans approximately 3 orders in magnitude. Sample to sample memory is minimized by the use of fresh targets for each discrete sample or by minimizing the amount of carbon present in a peak generated by an HPLC containing a significant amount of 14C. As a result, liquid sample AMS provides a new technology to expand our biomedical AMS program by enabling the capability to measure low-level biochemicals in extremely small samples that would otherwise be inaccessible.
A49 Visualizing active travel sentiment in an urban context

Abstract Background Commuting stress is known to be a root of many problems, including cardiovascular problems such as increased heart rate, increased blood pressure, back problems, as well as certain types of cancer. Examining how travel stress (or enjoyment) varies through time and space may reveal previously unknown relationships among active commute modes, intangible/tangible urban context, and daily weather. The present study set out to investigate these linkages using Geographic Information Systems (GIS) and space-time modeling techniques. Methods This research utilized exploratory spatiotemporal analysis and modeling of alternative commuter sentiment. Social media data was retrieved from twitter users in 6 metropolitan cities in the U.S., emotional content in the form of pleasure/arousal/dominance was extracted from it, spatial and aspatial data was obtained from various federal and local sources. A spatiotemporal weight was developed based on the space and time differentials for each daily tweeter. Exploratory analysis consisted of analyzing spatiotemporal patterning of tweeters using GIS techniques. Specifically, activity space analysis, surface estimation, spatial autocorrelation analysis (Getis-Ord hotspot analysis), global regression, and a spatiotemporal regression model was instituted. Results Preliminary exploratory analysis found that the majority of commuters tweeted once per day. When tweets were examined yearly, it was found that seasonality greatly affected commute sentiment patterns. Space-time weighted activity spaces varied significantly from un-weighted spaces. Furthermore, a weighted inverse-distance-weighted model demonstrated that travel mode affects human sentiment in both time and space. When hotspot analysis was visually examined in 3D, unique sentiments based on travel mode were observed in space and time. A global spatiotemporal regression model (OLS) indicated that weather, car usage, and mass-transit affected human sentiment (p-value Conclusions This analytical framework should be of interest to transportation planners seeking to understand how to promote alternative travel modes as well as health policy researchers studying the effect of commuting infrastructure on commuter’s well-being using a live, streaming dataset.
Antibody Therapy for Solid Tumors

Over the last several years the use of monoclonal antibody (MAb) therapy for the treatment of human malignancy has advanced from experimental therapy to standard of care for some malignancies. The success of MAb therapy stems not only from the ability to humanize the antibody, thus, decreasing the inherent immunogenicity of the approach but also from targeting appropriate proteins. Human cancers associated with the overexpression of particular growth factor receptors such as HER-2/neu, epidermal growth factor receptor, and vascular endothelial growth factor, have been impacted by commercially available antibodies. This review focuses on the mechanisms of action and clinical benefit of MAb therapy against common growth factor receptors.
Social Support and Sabotage: The Influence of Relationships on Health Eating and Physical Activity Behaviors in Rural Adults

Social environments exert an important influence on nutrition and physical activity behaviors, yet few studies have examined the meaning of social ties in relation to the health of rural communities. This work explored how social relationships influence the adoption and maintenance of health-related behaviors among midlife and older rural adults. Seventeen focus groups were conducted with 126 sedentary, overweight/obese adults aged 40-91 years residing in government designated “medically underserved” rural Montana towns (average population <3,000). Groups were stratified by age (40-64 and 蠅64) and gender. Transcripts were examined thematically according to social facilitators and barriers to healthy eating and physical activity. Results indicated that social ties had both health-promoting and health-damaging effects. Support from and accountability to family and friends were common facilitators of behavior change and maintenance. However, expectations to conform to social norms in these isolated communiti...
NADPH oxidase inhibition abrogates radiation-induced expression of proinflammatory mediators in the brain

Proc Amer Assoc Cancer Res, Volume 47, 2006 4409 Progressive dementia occurs in some 20–50% of brain tumor patients who are long-term survivors after treatment with brain irradiation. The need to both understand and minimize the side effects of brain irradiation is exacerbated by the ever-increasing number of patients with brain metastases that require treatment with large field or whole brain irradiation (WBI); some 200,000 cancer patients/year receive large field or WBI. At the present time, there are no successful treatments for radiation-induced brain injury, nor are there any known effective preventive strategies. Data support a role for the renin-angiotensin system (RAS) in radiation-induced late effects in kidney, lung; both angiotensin-converting enzyme inhibitors (ACEI) and angiotensin II (Ang II) receptor antagonists (ATRA) have proved effective. However, the pathogenic mechanism(s) involved remains unknown. Ang II signaling is mediated by generation of reactive oxygen species (ROS) via activation of nicotinamide adenosine dinucleotide phosphate (NADPH) oxidase. NADPH oxidase is a multi-subunit enzyme localized to cell membranes whose activation requires the translocation of cytosolic subunits p47phox, p67phox, and Rac1. Activated NADPH oxidase converts molecular oxygen (O2) to the superoxide anion (O2.−). We hypothesize that brain irradiation leads to activation of the intrinsic RAS and the subsequent induction of proinflammatory mediators regulated via the downstream NADPH oxidase signaling pathway. We report that ionizing radiation and Ang II i] increased expression of the proinflammatory cytokines tumor necrosis factor-α (TNF-α) and interleukin-1β (IL-1β) and ii] increased expression of the proinflammatory mediators plasminogen activator inhibitor-1 (PAI-1), matrix metalloproteinase-2 (MMP-2), endothelial-selectin (E-selectin), intercellular adhesion molecule-1 (ICAM-1), and vascular cell adhesion molecule-1 (VCAM-1). This increase was ameliorated by administration of the AT1RA losartan and the AT2RA PD123319. Moreover, this increase appeared to be NADPH oxidase-dependent; pharmacological (apocynin) and molecular (AdN17Rac1, a dominant-negative form of Rac1) inhibition of NADPH oxidase also blocked the radiation- and Ang II-mediated upregulation of these proinflammatory mediators. These results suggest that the brain RAS may play a role in radiation-induced brain injury through activation of NADPH oxidase and subsequent upregulation of proinflammatory mediators.
Computation of probabilities in an enzyme reaction network

The study of the stochastic properties of enzyme reactions is extremely valuable for understanding life processes. In this paper, we present a new approach for the computation of probability distributions in enzyme reaction networks. By employing system theory and block diagrams, the new approach offers a visible and convenient way to decompose a complicated network into simpler sub-networks and vice versa. An enzyme catalyst reaction is analyzed and the results for both the transient and steady states of the reaction are obtained.
Aberrant regulation of insulin receptor alternative splicing is associated with insulin resistance in myotonic dystrophy

Myotonic dystrophy type 1 (DM1) is caused by a CTG trinucleotide expansion in the 3' untranslated region of the DM protein kinase gene. People with DM1 have an unusual form of insulin resistance caused by a defect in skeletal muscle. Here we demonstrate that alternative splicing of the insulin receptor (IR) pre-mRNA is aberrantly regulated in DM1 skeletal muscle tissue, resulting in predominant expression of the lower-signaling nonmuscle isoform (IR-A). IR-A also predominates in DM1 skeletal muscle cultures, which exhibit a decreased metabolic response to insulin relative to cultures from normal controls. Steady-state levels of CUG-BP, a regulator of pre-mRNA splicing proposed to mediate some aspects of DM1 pathogenesis, are increased in DM1 skeletal muscle; overexpression of CUG-BP in normal cells induces a switch to IR-A. The CUG-BP protein mediates this switch through an intronic element located upstream of the alternatively spliced exon 11, and specifically binds within this element in vitro. These results support a model in which increased expression of a splicing regulator contributes to insulin resistance in DM1 by affecting IR alternative splicing.
Managerial career concerns and project cycle time in capital budgeting

We study a situation in which a manager, whose ability to select good projects is unknown a priori, proposes a project for funding. The manager's superior can observe the information about project quality generated by the manager, but cannot observe the resources devoted by the manager to generate that information. We show that a reputation-conscious manager will overinvest in information about the project, relative what the firm's shareholders would like, and that this leads to an excessively long product-development cycle time. Possible organizational responses to this distortion are discussed and empirical implications drawn out.
Reprogramming lipid metabolism primes host antiviral immunity (INM7P.431)

Oxysterols, or oxidized derivatives of cholesterol, have emerged as important regulators of adaptive and innate immunity. However, the molecular mechanisms by which these lipids facilitate host defense remain indeterminate. To better understand how cellular sterol metabolism influences innate immunity, we have generated gain- and loss-of-function macrophages that have key components of sterol homeostasis perturbed. Remarkably, we find that genetic manipulation of sterol biosynthetic capacity, and cellular sterol homeostasis, intrinsically alters its innate immune program. Genetic inhibition of the sterol biosynthetic pathway renders cells intrinsically resistant to pathogen challenge. Conversely, ectopically enforcing a sterol synthetic program renders cells more susceptible to viral infections. Mechanistic studies indicate that disruption of sterol synthesis in macrophages activates an array of host defense pathways, most notably a robust type 1 IFN response and upregulation of the anti-viral proteins MX-1 and MX-2. Current studies are focused on defining how inhibition of the sterol biosynthetic pathway engages anti-viral immunity and determining if this response is broadly applicable to other cell types. These studies provide proof -of-principle evidence that direct manipulation of sterol homeostatic state of a cell is intimately associated with host defense and suggests that metabolic manipulation converts a cell from a permissive to resistant viral immune state.
Evaluating text representations for retrieval of the best group of documents

Cluster retrieval assumes that the probability of relevance of a document should depend on the relevance of other similar documents to the same query. The goal is to find the best group of documents. Many studies have examined the effectiveness of this approach, by employing different retrieval methods or clustering algorithms, but few have investigated text representations. This paper revisits the problem of retrieving the best group of documents, from the language-modeling perspective. We analyze the advantages and disadvantages of a range of representation techniques, derive features that characterize the good document groups, and experiment with a new probabilistic representation as a first step toward incorporating these features. Empirical evaluation demonstrates that the relationship between documents can be leveraged in retrieval when a good representation technique is available, and that retrieving the best group of documents can be more effective than retrieving individual documents.
Titanates deliver metal compounds to suppress cell metabolism

Background Titanates are inorganic, amorphous, aqueously insoluble, particulate compounds of titanium, oxygen, hydrogen, and sodium. Two types of titanates, monosodium titanate (MST) and amorphous peroxotitanate (APT), have recently been proposed for use in biological applications where it would be advantageous to locally sequester and deliver metals to alter cellular functions. Purpose In the current study, the ability of MST and APT to suppress the mitochondrial function of a rapidly dividing cell line, OSC2 (oral squamous cell carcinoma) with and without loaded metals [Au(III), Hg(II), Pd(II), Pt(II), Pt(IV), and cis Pt] was determined. Methods Cellular mitochondrial activity of OSC2 cells after 72 hours exposure to titanates or titanate-metal compounds was estimated by measuring succinate dehydrogenase (SDH) activity via the 3-(4,5-dimethythiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) method. Results The results of this study showed that neither native APT nor native MST was biologically neutral to oral squamous cell carcinoma (OSC2). Increasing the concentration of either MST or APT resulted in a statistically significant decrease in SDH activity of OSC2 cells versus untreated cells (40% for APT and 30% for MST). The addition of titanate-metal compounds augmented the effects of APT and MST on OSC2 metabolism, decreasing overall mitochondrial activity compared to controls by 50–70%. However, both titanate types and metal ion species determined the degree to which the SDH activity was suppressed. Conclusion The findings of the current study demonstrate that APT and MST alone significantly suppress the metabolism of a rapidly dividing cell line, an effect that is augmented by specific titanate-metal combinations. These compounds may have potential as unique therapeutic agents.
Radio channel characteristics observed for cellular and microcellular links: A tutorial review

The characteristics of the radio channel provide a challenge to the communication engineer in designing systems that are spectrally efficient so as to provide high speed services to a large numbers of subscribers. This paper reviews the characteristics of the radio channel that have been observed by various groups under conditions of interest for cellular, microcellular and related terrestrial systems. For the discussion, the characteristics are divided into those resulting from multipath scattering, such as Rayleigh fading, time delay spread and angle of arrival spread, and the amplitude variations resulting from shadowing by buildings and terrain. Ray concepts are used qualitatively to provide an explanation many of the observed characteristics and the magnitudes of various measured parameters.
Assessing and Analyzing Internal Control Practices in the Lodging Industry

Internal control matters have received extensive attention in academic literature, but the subject of internal controls in hotels is not well presented. This study aims to determine whether hotels that have been in business longer, are larger in size, and are publically owned have a better proxy of internal control. The results of this study indicate that there were no significant differences between a dependent variable internal control and independent variables: the number of rooms, years in business, and the ownership of hotels. More accurate results may be obtained if a larger sample size could be used for this study.
Single-chain urokinase-type plasminogen activator does not possess measurable intrinsic amidolytic or plasminogen activator activities

The question whether single-chain urokinase-type plasminogen activator (Sc-uPA) possesses an enzymatic activity has been a subject of intense investigation for a number of years but still remains unresolved. Recent studies from several laboratories suggest that Sc-uPA or its plasmin-resistant mutants obtained by site-directed mutagenesis possess significant, albeit low, amidolytic and plasminogen activator activities, ranging from 0.1% to 1% of that observed for two-chain urokinase (Tc-uPA). In an effort to characterize these putative intrinsic activities, Sc-uPA was repeatedly treated with dansyl-Glu-Gly-Arg chloromethyl ketone (dansyl-EGRck) or diisopropyl fluorophosphate (DFP) (0.1-0.25 mM added thrice over a period of 24 h at 0 degrees C). This treatment exhaustively inactivated the Tc-uPA contaminant but did not affect Sc-uPA, as evidenced by the lack of significant incorporation of radiolabeled inhibitor in Sc-uPA and full activation of the inhibitor-treated Sc-uPA by plasmin. Assayed in the presence of excess DFP or dansyl-EGRck to ensure trapping of any Tc-uPA generated in the assay mixture, Sc-uPA (84 micrograms/mL, 10,500 latent units/mL) did not elicit any detectable cleavage of the chromogenic substrate S-2444 (detection limit 0.1 unit of Tc-uPA/mL). However, if the Tc-uPA inhibitors were removed prior to assay, a trace amount of amidolytic activity invariably reappeared in the Sc-uPA preparation. Incorporation experiments with [3H]DFP suggested that the appearance of this amidolytic activity was due to formation of Tc-uPA. Plasminogen activator assay of DFP- and dansyl-EGRck-treated Sc-uPA (0.45-2.25 microM), performed in the presence of these inhibitors and Trasylol (10 microM) to ensure entrapment of any Tc-uPA or plasmin generated in the reaction mixture, showed no significant cleavage of 125I-labeled plasminogen (detection limit 0.1 nM). However, if dansyl-EGRck and DFP were removed from the inhibitor-treated Sc-uPA and the assay was performed in the presence of Trasylol alone, there was significant cleavage of 125I-plasminogen due to contamination by Tc-uPA. Fibrin, a positive effector of plasminogen activation by Tc-uPA or Sc-uPA preparations in the absence of DFP and dansyl-EGRck, did not promote cleavage of plasminogen or S-2444 by Sc-uPA in the presence of the Tc-uPA inhibitors.(ABSTRACT TRUNCATED AT 400 WORDS)
Adaptive Estimation of the Integral of Squared Regression Derivatives

A problem of estimating the integral of a squared regression function and of its squared derivatives has been addressed in a number of papers. For the case of a heteroscedastic model where smoothness of the underlying regression function, the design density, and the variance of errors are known, the asymptotically sharp minimax lower bound and a sharp estimator were found in Pastuchova & Khasminski (1989). However, there are apparently no results on the either rate optimal or sharp optimal adaptive, or data-driven, estimation when neither the degree of regression function smoothness nor design density, scale function and distribution of errors are known. After a brief review of main developments in non-parametric estimation of non-linear functionals, we suggest a simple adaptive estimator for the integral of a squared regression function and its derivatives and prove that it is sharp-optimal whenever the estimated derivative is sufficiently smooth.
Variation in some yield determining components in muscadine grapes and their correlation to yield

Six Vitis rotundifolia Michx. (muscadine) grape genotypes were measured to determine variation and simple correlations between flower and fruit number/cluster, fruit cluster and individual fruit weight, fruit set and total vine yield. Significant variation was found for each trait, except fruit cluster weight. Range in mean values across selections for each trait were: 72 to 202 flowers/cluster; 16 to 26 fruit/cluster; 88.1 to 112.2 g/fruit cluster; 3.4 to 7.2 g/fruit; 11.3 to 23.4% fruit set; and 21.0 to 71.0 kg/vine for yield. Simple correlation values ranged from r=0.05 for flower number to cluster number to r=0.69 for fruit number to cluster weight. No trait was highly correlated to total yield. Therefore, to increase yield in muscadines it appears best to select for total yield and not for components contributing to yield.
Temperature dependence of the first-and second-order cubic anisotropy constants in EuO

The temperature dependence of the first-and second-order cubic anisotropy constants in EuO has been determined from ferromagnetic-resonance measurements on spherical singledomain, single-crystal samples. The observed dependence of ${K}_{1}$ is largely explained by a single-ion interaction. The constant ${K}_{2}$ is observed to change sign at $\ensuremath{\sim}\frac{1}{2}{T}_{C}$ and its temperature dependence cannot be explained by just a single-ion interaction. The data have been analyzed by including the dipolar and pseudodipolar terms obtained by Kasuya and Tachiki in extending Van Vleck's calculation to third order. Very good agreement is obtained. The crystal-field parameters determined are ${b}_{4}=2.3\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}3}$ ${\mathrm{cm}}^{\ensuremath{-}1}$ /ion and ${b}_{6}=0.2\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}3}$ ${\mathrm{cm}}^{\ensuremath{-}1}$ /ion. It is found that pseudodipolar contributions are important with nearest-and next-nearest-neighbor contributions of 1.35 and 2.5 respectively, expressed in units of the corresponding pure magnetic dipolar term. The measured angular dependence of the resonance field has been analyzed including terms to second order in the ratio of the anisotropy to Zeeman energies. The values of $\frac{{K}_{1}}{M}$ and $\frac{{K}_{2}}{M}$ at 4.2 K are -247.5 \ifmmode\pm\else\textpm\fi{} 2.5 and 82 \ifmmode\pm\else\textpm\fi{} 10 Oe, respectively.
Treatment for Kaposi sarcoma herpesvirus: great challenges with promising accomplishments

Kaposi sarcoma-associated herpesvirus (KSHV) is associated with three distinct malignancies: Kaposi sarcoma (KS), primary effusion lymphoma, and multicentric Castleman disease. Treatment modalities for KSHV have largely been developed based on understanding its molecular pathogenesis. The KSHV genome has been fully sequenced and contains numerous genes with homology to human regulatory genes that are potentially important in KS development. Therapeutic strategies have been developed to target signaling pathways that are activated by KSHV. This review describes multiple classes of pharmacological compounds that have been studied in patients with KS, including antivirals, chemotherapeutics, and novel agents related to KSHV pathogenesis.
Demographic Structure of a Primitive Population: a Simulation

A stochastic computer simulation model has been used to study the demography of the Yanomamo Indians of Venezuela and Brazil, whose social organization is typical of many primitive societies. It has been found by simulation that perhaps one third of all Yanomamo marriages involve individuals related as first or second cousins, and that more than 16% of all males must leave their villages to find wives, in spite of a strong preference for village endogamy. In the process of validating and experimenting with the model, we discovered (1) the role of sibship size in determining a man's ability to obtain wives; (2) the variability in frequency of cousin marriages through time; and (3) the importance of wife trading in assuring that few men complete the reproductive period without having married at least once. In addition, we strengthened our impressions, gathered from ethnographic data, that the Yanomamo are an expanding population.
CORR Insights®: New Total Knee Arthroplasty Designs: Do Young Patients Notice?

This CORR Insights® is a commentary on the article “New Total Knee Arthroplasty Designs: Do Young Patients Notice? by Nunley and colleagues available at: DOI: 10.1007/s11999-014-3713-8. The author certifies that he, or any member of his immediate family, has no funding or commercial associations (eg, consultancies, stock ownership, equity interest, patent/licensing arrangements, etc) that might pose a conflict of interest in connection with the submitted article. All ICMJE Conflict of Interest Forms for authors and Clinical Orthopaedics and Related Research ® editors and board members are on file with the publication and can be viewed on request. The opinions expressed are those of the writers, and do not reflect the opinion or policy of CORR ® or the Association of Bone and Joint Surgeons®. This CORR Insights® comment refers to the article available at DOI: 10.1007/s11999-014-3713-8.
Synthesis and Crystal Structure of Two New Discrete, Neutral Complexes of Manganese and Zinc Using a Rigid Organic Clip

Two discrete neutral dimanganese(II) and tetrazinc(II) complexes were synthesized from a rigid organic clip and the corresponding metal acetates. The compounds were characterized by elemental analysis and single crystal X-ray diffraction study. The manganese species is a dinuclear discrete product with two disordered acetates bridging two manganese centers, while the zinc one consists of two octahedral and two tetrahedral Zn(II) centers with both bridging acetates and triply μ3-hydroxides. Variable temperature magnetic measurement reveals the existence of weak antiferromagnetic interaction (J = −1.6 cm-1; H = −2JS1·S2) within the manganese complex.
With Respect to the Analytic Frame: Commentary on Paper by Steven Stern

In this discussion of Steven Stern's paper, support is expressed for the position that analysis should not be defined simply by external criteria such as four-times-a-week frequency, but should get its definition from intrinsic criteria. This raises the question, however, of what the intrinsic criteria are understood to be, and what status to accord the fact that certain extrinsic or objective aspects of the clinical framework (a fixed setting, ground rules, prohibitions, and social and legal sanctions) seem non-negotiable, indispensable, and even constitutive of the therapeutic process, as is the analyst's unilateral application of analytic techniques. Note is made of how the paper lacks a rigorous approach to the actual phenomenology of the frame, thus forfeiting a conceptual appreciation of its distinctive structuring role and its complex functionality. In lieu of an adequate exploration of how the frame works in its own right, the paper superimposes a theory-driven and highly partisan position regardi...
Flow control using localized induction heating in a VARTM process

Abstract Voids formed during the mold filling stage of the vacuum assisted resin transfer molding (VARTM) process become defects in the fabricated parts. Active flow control is one way to eliminate these defects by guiding the flow along a desired path during the mold filling stage of the process. Building upon previous work of the authors [Johnson R, Pitchumani R. In: Proceedings of the thirty-fourth international SAMPE technical conference, MD, USA, vol. 34(1); 2002, p. 250–61; Johnson R, Pitchumani R. Enhancement of flow in VARTM using localized induction heating. Compos Sci Technol 2003;63(15):2202–15; Johnson R., Pitchumani R. In: Proceedings of the fourteenth international conference on composite materials, CA, USA; 2003, Paper# 0861; Johnson R, Pitchumani R. Simulation of active flow control based on localized preform heating in a VARTM process. Compos Part A-Appl Sci Manuf, in press doi:10.1016/j.compositesa.2005.09.007 ], this paper presents implementation of an active flow control using induction heating as a means of locally reducing viscosity to counteract the effects of nonhomogeneity in the permeability of preform layups in a prototype VARTM process. Feedback of flow front locations during the filling stage of the process is used together with a numerical process model to arrive at decisions on the trajectories of the induction coil and the coil voltage, so as to maintain a uniform flow progression without exceeding a prescribed maximum temperature limit. A flow front following control strategy is implemented in a lab-scale experimental setup and tested on several preform layups exhibiting spatial permeability variation, as well as in the case of preforms with mold inserts. Results of these studies demonstrate that active flow control is capable of reducing the fill time, improving the flow front uniformity throughout the duration of the mold fills, and eliminating dry spot formation.
The NASA Astrobiology Institute: early history and organization

The NASA Astrobiology Institute (NAI) was established as a means to advance the field of astrobiology by providing a multidisciplinary, multi-institution, science-directed program, executed by universities, research institutes, and NASA and other government laboratories. The scientific community and NASA defined the science content at several workshops as summarized in the NASA Astrobiology Roadmap. Teams were chosen nationwide, following the recommendations of external review groups, and the research program began in 1998. There are now 16 national Teams and five international affiliated and associated astrobiology institutions. The NAI has attracted an outstanding group of scientific groups and individuals. The Institute facilitates the involvement of the scientists in its scientific and management vision. Its goal is to support basic research and allow the scientists the freedom to select their projects and alter them as indicated by new research. Additional missions include the education of the public, the involvement of students who will be the astrobiologists of future generations, and the development of a culture of collaboration in NAI, a "virtual institute," spread across many sites nationally and internationally.
Fatty acyl-coA and fatty acyl-acyl carrier protein as acyl donors in the synthesis of lysophosphatidate and phosphatidate in escherichia coli

1. 1. A particulate fraction of Escherichia coli catalyzes the transfer of palmitate from palmityl-CoA and palmityl-acyl carrier protein to sn-glycero-3-phosphate. When a series of long-chain acyl thiolesters including myristyl-, palmityl-, palmitoleyl- and cis-vaccenyl-CoA and acyl carrier protein were tested in the acylation of sn-glycero-3-phosphate, the palmitate esters were the most effective substrates. 2. 2. Lysophosphatidate has been identified as the initial product formed from sn-glycero-3-phosphate and either palmityl-CoA or palmityl-acyl carrier protein. The lysophosphatidate can either be acylated to phosphatidic acid or be dephosphorylated to the monoglyceride. The extent to which both reactions occur depends on experimental conditions and on the nature of the acyl donor. 3. 3. Phosphatidic acid synthesis from sn-glycero-3-phosphate was observed in the presence of saturated or unsaturated CoA esters. 4. 4. When palmityl-acyl carrier protein was the only acyl donor present, hardly any phosphatidate was synthesized and the main products were lysophosphatidate and monoglyceride. In the additional presence of unsaturated acyl-acyl carrier protein phosphatidate was formed. This indicates the possibility of phosphatidate biosynthesis from sn-glycero-3-phosphate and acyl-acyl carrier protein esters. 5. 5. The acylation of 1-acyl-sn-glycero-3-phosphate by acyltransferases from E. coli occurred preferentially with unsaturated fatty acyl thiolesters. Especially, acyl-acyl carrier protein esters were used with great selectivity for the acyl portion in this acylation reaction. 6. 6. The palmitate thiolester of 4'-phosphopantetheine was not used as acyl donor to sn-glycero-3-phosphate under conditions in which acyl thiolesters of both CoA and acyl carrier protein are active. 7. 7. Some properties of the enzyme catalyzing the dephosphorylation of lysophosphatidate and phosphatidate are described.
Temperature effects during development on a polyembryonic parasitoid and its host

Ambient temperature can influence development through effects on metabolic rate and by inducing physiological stress. In this study, we assessed temperature effects on a host–parasitoid interaction and on the body size and brood size of emerging wasps. By examining the development at two different temperatures of the koinobiont parasitoid, Copidosoma bakeri, and its host, Agrotis ipsilon, we asked: (1) Does the growth response to temperature by A. ipsilon depend on whether the moth caterpillar is parasitized? (2) Does the allocation pattern of body size and brood size in C. bakeri change with temperature? To answer these questions, we exposed A. ipsilon larvae parasitized by C. bakeri to high or low non-lethal temperatures when A. ipsilon was in early or late larval stages and measured their development time and body mass for all four treatment combinations. We also examined the brood size and body mass of emerging wasps. Whether parasitized or not, A. ipsilon larvae decreased development time, but generally did not decrease final body mass, at the higher temperature. When parasitized A. ipsilon was exposed to the higher temperature only late in their development, enlargement of the host by the parasitoid was reduced. C. bakeri brood size significantly increased when the higher temperature was applied early in host development. We did not detect a shift with temperature in the allocation pattern of the size–number trade-off for wasp offspring, suggesting that this trade-off relationship may be under selection strong enough to yield insensitivity to temperature.
Identification, cloning and characterization of three late promoters at 14.6, 14.8 and 15.9% of T7 DNA☆

Several segments of the 12.05 to 18.19% region of bacteriophage T7 DNA were cloned. The recombinant plasmids were assayed for their capacity to support transcription with a cell-free system specific for T7 DNA. A clone (pRW307) of the 12.05% to 16.0% region stimulated RNA synthesis several hundred fold over the vector back ground but a clone (pRW308) of the 16.1 to 18.19% region had only background activity. Clones of two contiguous subfragments of the insertion in pRW307 spanning the regions 12.05 to 14.65% (pRW315) and 14.65 to 16.0% (pRW314) stimulated RNA synthesis to the same level as found for T7 DNA. In contrast, two clones of subfragments of the insertion in pRW315 spanning the regions 12.05 to 12.15% (pRW312) and 12.70 to 14.10% (pRW313) had background activity. Restriction fragments spanning the regions 12.05 to 14.65% and 14.65 to 16.0% were used as templates for highly purified T7 RNA polymerase and the sizes of the discrete RNA products were determined by gel electrophoresis. The results of these experiments indicated that three late, class II promoters exist inside the 12.05 to 18.19% region of T7 DNA; they are located at 14.6, 14.8 and 15.9%. Their sequences, containing a 22 base-pair homologous region, are reported elsewhere (Panayotatos & Wells, 1979b). No evidence for promoters at 13.5 or 14.2% was found, in contrast to conclusions drawn by previous workers. Determination of the DNA sequence of the 14.2% region failed to detect homology with the sequence of the promoters at 14.6, 14.8 and 15.9%.
Emetophagy: Fipronil-induced regurgitation of bait and its dissemination from german cockroach adults to nymphs

Abstract Blattella germanica (L.) (Dictyoptera: Blattellidae) that were fed fipronil bait produced liquid excretions that were toxic to conspecifics. We have used a combination of analytical and behavioral assays to localize the source, to elucidate the time course, and to evaluate the role of these excretions in facilitation of secondary kill. Fipronil excretion coincided with the onset of the paralytic symptoms, and most of the excreted fipronil (79%) was eliminated during the first 12 h after ingestion of the bait. More than 74% of the total radioactivity excreted in 48 h from [ 14 C]fipronil-fed females was recovered from their oral region, and time-lapse video analysis showed that first instars were highly attracted to these excretions. Moreover, first instars preferentially contacted the oral region of dying females and imbibed the liquid exudates. Emetophagy, the ingestion of insecticide-induced regurgitate, may constitute an important mechanism by which fast-acting, emetogenic insecticides are disseminated within cockroach populations.
Cholesterol treatment facilitates spatial learning performance in DBA/2Ibg mice

DBA/2Ibg mice were treated with cholesterol pellets for 11 days. On the seventh day after treatment, animals began 5 consecutive days of training on the spatial form of Morris water task, followed on the third and fourth days by a probe trial, and random platform training on the fifth day. DBA mice with cholesterol pellets exhibited enhanced performance compared to DBA mice that underwent a sham surgery. Our results suggest that subchronic treatment with the steroid hormone precursor, cholesterol, enhances spatial learning performance in DBA mice.
Time-resolved measurements of self-focusing pulses in air

The spatial, spectral, and temporal properties of self-focusing 798-nm 100-fs pulses in air are experimentally measured with high-resolution, single-shot techniques at a set propagation distance of 10.91 m. The data, obtained with an initially collimated Gaussian beam, show significant evolution of spatial narrowing as well as temporal and spectral changes at intensities lower than those required for significant ionization of air.
Sequence-specific DNA binding by glucocorticoid receptor "zinc finger peptides".

Abstract Steroid hormone receptors can activate or repress transcription from responsive loci by binding to DNA. We have examined the mechanism of DNA binding by individually synthesizing the putative "zinc finger peptides" from the rat glucocorticoid receptor. Atomic absorption studies show that the peptides will bind zinc on an equimolar basis, and circular dichroism experiments demonstrate a significant alteration in secondary structure in the presence of zinc. The results from a series of experiments establish that metal ion is required for binding to DNA and that the amino-terminal zinc finger shows a significantly greater affinity for glucocorticoid response element-containing DNA over control DNA. These observations indicate that a single synthetic "zinc finger peptide" is able to bind to DNA in a sequence-specific manner.
The Far Infrared Spectra of Monosubstituted Pyridines

Infrared spectra in the cesium bromide region are presented for 43 monosubstituted pyridines. Two- and 3-substituted pyridines are characterized in this region by two relatively intense bands near 600 and 400 cm−1. No strong characteristic bands are found for 4-substituted pyridines. The vapor-phase contours of the far infrared bands of 2-fluoro- and 2-chloropyridine indicate that the 600 and 400 cm−1 bands arise, respectively, from an in-plane and an out-of-plane vibration. The pyridine spectra are compared with the spectra of some substituted benzenes.
Competitive ion-exchange adsorption of proteins: competitive isotherms with controlled competitor concentration.

The competitive adsorption processes inevitably present in chromatographic separations of complex mixtures have not been extensively studied. This is partly due to the difficulty of measuring true competitive isotherms, in which all system parameters (including competitor concentrations) are held constant. We report a novel approach to determining competitive protein adsorption isotherms in which the competitor concentration is held constant across the entire isotherm. By using the heme prosthetic group in cytochrome b5 as a quantitative spectrophotometric label, competitive isotherms between cytochrome b5 and α-lactalbumin can be constructed. Similarly, manganese-substituted protoporphyrin IX heme replacement allows the non-perturbing labeling of individual cytochrome b5 conservative surface charge mutants by replacement of a single atom in the interior of the protein. This labeling allows the study of competition between cytochrome b5 charge mutants of identical size and shape, which differ only in charge arrangement. Using these techniques, the effect of competing species on equilibrium behavior and the apparent heterogeneity of anion-exchange adsorbents in the presence of competitors can be quantitatively studied by fitting the data to two popular single-component binding models, the Temkin and the Langmuir–Freundlich (L–F) isotherms.
The nature of the autonomic dysfunction in multiple system atrophy

The concept that multiple system atrophy (MSA, Shy-Drager syndrome) is a disorder of the autonomic nervous system is several decades old. While there has been renewed interest in the movement disorder associated with MSA, two recent consensus statements confirm the centrality of the autonomic disorder to the diagnosis. Here, we reexamine the autonomic pathophysiology in MSA. Whereas MSA is often thought of as "autonomic failure", new evidence indicates substantial persistence of functioning sympathetic and parasympathetic nerves even in clinically advanced disease. These findings help explain some of the previously poorly understood features of MSA. Recognition that MSA entails persistent, constitutive autonomic tone requires a significant revision of our concepts of its diagnosis and therapy. We will review recent evidence bearing on autonomic tone in MSA and discuss their therapeutic implications, particularly in terms of the possible development of a bionic baroreflex for better control of blood pressure.
Amphotericin B-resistant yeast infection in severely immunocompromised patients☆

Systemic yeast infections are a major cause of morbidity and mortality in severely immunocompromised patients. The in vitro susceptibility to amphotericin B of 29 yeasts causing fungemia was examined in 26 patients undergoing allogeneic or autologous bone marrow transplantation and/or myelosuppressive chemotherapy. The minimal inhibitory concentrations (MICs) of amphotericin B observed with blood isolates from these patients were significantly higher than those observed with blood, sputum, or skin isolates from non-immunocompromised patients (p less than 0.01). All episodes (10 of 10) of bloodstream infection in immunocompromised patients caused by isolates with MICs greater than 0.8 micrograms/ml were fatal, versus eight of 17 episodes of bloodstream infection caused by yeasts with MICs of 0.8 micrograms/ml or less (p = 0.04). Although 15 of 26 patients received empiric treatment with amphotericin B before laboratory evidence of fungemia developed, the amphotericin B susceptibilities of their isolates were not significantly different from those of patients who had not received empiric amphotericin B treatment. It is concluded that yeast fungemia in severely immunocompromised patients is often caused by organisms resistant to the usual concentrations of amphotericin B obtainable in vivo, and that this finding is clinically significant.