gebhart/patrepeval huggingface dataset:
Spirocyclic Restriction of Nucleosides (2004)

The concept of spirocyclic restriction as applied broadly to the field of nucleoside mimics makes possible the generation of diastereomeric pairs configured with a syn - or anti -oriented hydroxyl substituent at C5'. The development of concise synthetic routes to spiro-fused nucleosides bearing all possible natural bases and expectedly capable of enforcing a conformation favourable for duplex formation on incorporation into oligomers represents a significant new direction in the design of antisense molecules. The present overview describes the convenient approaches that have been developed in this laboratory for accessing varied members of this class, including analogues that feature sulfur and carbon at the apical position.
Switchable photovoltaic windows enabled by reversible photothermal complex dissociation from methylammonium lead iodide (2017)

Materials with switchable absorption properties have been widely used for smart window applications to reduce energy consumption and enhance occupant comfort in buildings. In this work, we combine the benefits of smart windows with energy conversion by producing a photovoltaic device with a switchable absorber layer that dynamically responds to sunlight. Upon illumination, photothermal heating switches the absorber layer-composed of a metal halide perovskite-methylamine complex-from a transparent state (68% visible transmittance) to an absorbing, photovoltaic colored state (less than 3% visible transmittance) due to dissociation of methylamine. After cooling, the methylamine complex is re-formed, returning the absorber layer to the transparent state in which the device acts as a window to visible light. The thermodynamics of switching and performance of the device are described. This work validates a photovoltaic window technology that circumvents the fundamental tradeoff between efficient solar conversion and high visible light transmittance that limits conventional semitransparent PV window designs.
Energetics of metastudtite and implications for nuclear waste alteration (2014)

Metastudtite, (UO2)O2(H2O)2, is one of two known natural peroxide minerals, but little is established about its thermodynamic stability. In this work, its standard enthalpy of formation, -1,779.6 ± 1.9 kJ/mol, was obtained by high temperature oxide melt drop solution calorimetry. Decomposition of synthetic metastudtite was characterized by thermogravimetry and differential scanning calorimetry (DSC) with ex situ X-ray diffraction analysis. Four decomposition steps were observed in oxygen atmosphere: water loss around 220 °C associated with an endothermic heat effect accompanied by amorphization; another water loss from 400 °C to 530 °C; oxygen loss from amorphous UO3 to crystallize orthorhombic α-UO2.9; and reduction to crystalline U3O8. This detailed characterization allowed calculation of formation enthalpy from heat effects on decomposition measured by DSC and by transposed temperature drop calorimetry, and both these values agree with that from drop solution calorimetry. The data explain the irreversible transformation from studtite to metastudtite, the conditions under which metastudtite may form, and its significant role in the oxidation, corrosion, and dissolution of nuclear fuel in contact with water.
Penitentiary or penthouse condo: the tuberculous granuloma from the microbe's point of view (2009)

Granuloma formation represents a pivotal point during human infection with Mycobacterium tuberculosis, for this structure may limit mycobacterial spread and prevent active disease, while at the same time allow for the survival and persistence of viable mycobacteria within the host. The current therapeutic regimens for treating tuberculosis disease have proven effective in developing countries. However, in countries with large populations, limited access to health care, and high incidence of HIV co-infection, tuberculosis disease continues to represent a major global health emergency. Particularly, the emergence of extensively and multi-drug-resistant forms of tuberculosis underscores the need develop new treatment strategies. Recent mechanistic studies have identified bacterial virulence mechanisms that subvert host responses and lead to an inappropriate upregulation of host factors such as tumour necrosis factor-alpha (TNF-alpha) and matrix metalloproteinases (MMPs). Paradoxically, then, part of the mycobacterial virulence programme may be to promote granuloma development and maturation. These observations suggest that together with appropriate anti-microbials host-based therapeutics directed at TNF-alpha and MMP inhibition may counteract the microbial subterfuge, reduce the pro-granulomatous response, and offer an enhanced therapeutic effect. Host-directed therapy that alters the immune response may offer an alternative approach towards reducing treatment duration, the risk of anti-microbial resistance and improving patient outcome.
Association Between a Functional Catechol <i>O</i>-Methyltransferase Gene Polymorphism and Schizophrenia: Meta-Analysis of Case-Control and Family-Based Studies (2003)

The results of the two types of association studies diverged somewhat, but the evidence from the family-based studies, although based on fewer reports, may be more accurate. The Val allele may be a small but reliable risk factor for schizophrenia for people of European ancestry, but the influence of this polymorphism on risk in Asian populations remains unclear. These results call for more family-based studies to confirm the association between COMT and schizophrenia in European samples and to clarify its contribution to risk in Asian samples. They also suggest that case-control studies should use methods of genomic control to avoid being confounded by population stratification.
Anion-induced palladium nanoparticle formation during the on-surface growth of molecular assemblies (2015)

We demonstrate a process that results in the formation of palladium nanoparticles during the assembly of molecular thin films. These nanoparticles are embedded in the films and are generated by a chemical reaction of the counter anions of the molecular components with the metal salt that is used for cross-linking these components.
Kinetics of Competitive Adsorption of PEO Chains with Different Molecular Weights (1998)

Molecular weight driven competitive adsorption of PEO [poly(ethylene oxide)] from aqueous solutions on silica was studied by employing total internal reflectance fluorescence (TIRF) and near-Brewster angle reflectivity. Coumarin tags on PEO chain ends facilitated the distinction between two competing populations differing only in molecular weight. In gentle shearing flow, coadsorption was found to include three steps: independent transport-limited adsorption of both species, exchange of short and long chains, and the ultimate equilibration of the long chains. When the short chains are on the order of 30K and contact the surface for 20 min or less, their displacement by longer chains is transport-limited and approaches completion. However, for short chains of higher MW (120K), their displacement by longer chains becomes slow and less complete, indicating an energy barrier for short chain displacement. A kinetic model for competitive adsorption kinetics was proposed on the basis of the Langmuir adsorption kinetics and allowed quantification of surface limited kinetics.
A study on broadcasting and telecom convergence service usage index (2011)

The progress of digital technology has helped the emergence of new services with the following technical realization: fixed mobile convergence, VoIP(Voice over Internet Protocol), and broadcasting/telecom convergence. As a result, there is a need for measures to invigorate the use of broadcasting and telecom convergence service through quantitative assessment on the level of utilization and performance of the broadcasting and telecom convergence service. In order to estimate the usage level of the current users of broadcasting and telecom convergence service, we concentrated on the previous studies on Index level for broadcasting, telecom and service. Based on these studies, we constructed broadcasting and telecom convergence usage index model with a framework composed of three levels: convergence, usage, and satisfaction. Convergence is a variable for measuring degree of supply and management for broadcasting and telecom convergence infrastructure. It is sub-divided into convergence infra level, convergence operation level, broadcasting and telecom infrastructure, and broadcasting and telecom market environment. Usage is a variable measuring usage level of the broadcasting and telecom convergence service and its result products and sub-divided into use frequency, use time, use Range, efficiency, convenience, and economic feasibility. Satisfaction is a variable for general satisfaction of the users of broadcasting and telecom convergence service and composed of tangibles, reliability, responsiveness, and empathy. The model and indicators we have developed here to measure the usage level of real users of broadcasting and telecom convergence service is expected to be applied in substantive estimation and assessment in future studies on broadcasting and telecom convergence service.
ChemInform Abstract: MOLECULAR STRUCTURE AND LIGAND‐EXCHANGE REACTIONS OF TRICHLOROTRIS(TERT‐BUTYL ISOCYANIDE)VANADIUM(III). SYNTHESIS OF THE HEXAKIS(TERT‐BUTYL ISOCYANIDE)VANADIUM(II) CATION (1981)

Abstract Die Reaktion zwischen V‐trichlorid und tert.‐Butylisocyanid in Methylen‐ Chlorid führt zu dem mer‐Komplex (I) und nicht zu einem Einschiebungsprodukt.
Relative efficacy of 335 and 365 nm radiation in photochemotherapy of psoriasis (1991)

The action spectrum for the induction of phototoxic erythema by treatment with 8-methoxypsoralen (8-MOP) and UVA peaks at around 335 nm. Because earlier investigations reported peak phototoxic activity at 365 nm, we compared the antipsoriatic efficacy of 335 and 365 nm in an oral psoralen photochemotherapy (PUVA) regimen using a monochromator. PUVA with 335 nm was twice as effective as with 365 nm, with respect to both erythemogenicity and the cumulative dose required for clearing psoriasis. However, 335 and 365 nm were equally effective if delivered in equal erythema doses. It appears that in human skin the antipsoriatic activity of 8-MOP parallels its erythemogenicity.
Heparin-binding serum protein(s) is required for the protection of sialyltransferase released during the incubation of rat jejunal slices (1991)

Incubation of rat jejunal slices in Krebs-Ringer bicarbonate buffer (KRB) required the presence of heat-inactivated horse serum (HHS) in order to show time-dependent release of sialyltransferase into the medium. Sialyltransferase activity could not be detected in the medium when KRB alone or KRB supplemented with either albumin or glycerol was used in the incubations. The viability of the jejunal slices for up to 4 h of incubation was determined by studying the incorporation of glucosamine and leucine into acid-insoluble proteins. Supplementation of KRB with HHS had no beneficial effect on the rate of incorporation of leucine and glucosamine into proteins. KRB medium obtained after different periods of incubation contained higher trypsin-like activity than KRB medium containing HHS. Various antiproteases present as supplements to KRB resulted in the release of sialyltransferase activity from the jejunal slices. Among these antiproteases, alpha 1-proteinase inhibitor (alpha 1-PI) was the most effective. Also, HHS added to KRB immediately following incubation resulted in partial restoration of sialyltransferase activity in the medium, suggesting the presence of anti-proteolytic factors in HHS. The addition of increasing concentrations of heparin to incubations containing HHS caused a decrease in the medium sialyltransferase activity. The heparin-binding fraction (HBF) from HHS, when added to incubations, was able to protect the sialyltransferase released into medium. However, HHS depleted of its heparin-binding fraction by heparin-agarose affinity chromatography was unable to protect the sialyltransferase. HBF was separated into high- and low-molecular-mass fractions (fractions A and B respectively) by gel-filtration chromatography. The capacity to protect the released sialyltransferase was contained in fraction B. Fraction A contained multiple bands on SDS/PAGE and did not protect the enzyme. Fraction B contained a major protein band on the gel which corresponded to the migration of a similar band in human alpha 1-PI. HBF as well as fraction B isolated from HHS showed anti-trypsin-like activity. The results presented indicate that HHS contains a heparin-binding protein(s) similar to human alpha 1-PI which plays a role in the protection of sialyltransferase released from jejunal slices.
Large-Scale Processing of Recombinant Retroviruses for Gene Therapy (1999)

Gene therapy is a new therapeutic modality with the potential of treating inherited and acquired diseases. Several viral and physicochemical vehicles have been used for the transfer of genes to mammalian cells, but recombinant retroviruses are used in the majority of gene therapy clinical trials today. In this communication, we review the major concerns associated with the large-scale production and processing of retroviral particles. While some of the current processes for manufacturing recombinant proteins will be applicable to recombinant retroviruses, the instability, sensitivity to inhibitors, complexity, and size of retroviral particles require that new technologies be designed and evaluated. Here, we examine those issues critical to the design of strategies for production, concentration, and purification as well as formulation and storage of recombinant retroviruses. Processes for large-scale manufacturing of recombinant retroviruses that can produce high gene transfer efficiencies will have significant impact on the clinical implementation of gene therapy.
Some Properties of Zinc Sulfide Crystals Grown from the Melt (1960)

Hexagonal zinc sulfide crystals were obtained by controlled cooling of melted zinc sulfide. Both pure and activated zinc sulfide powders were used. The density of pure melt grown crystals was found to be higher than that of natural zinc blende crystals or crystals grown by evaporation. The stability of the pure hexagonal crystals towards transformation to the cubic zinc-blende structure in the interval of temperature 700–1150°C was investigated. A full conversion to the cubic phase was never observed. The experimental evidence indicates the transition point to be above 1150°C.
Changes in metal coordination are required to regulate activity of bacterial phosphodiesterases, implicated in c-di-GMP regulated biofilm dispersal (2016)

Bacterial biofilms play a key role in prosthetic infection (PI) pathogenesis. Establishment of the biofilm phenotype confers the bacteria with significant tolerance to systemic antibiotics and the host immune system meaning thorough debridement and prosthesis removal often remain the only possible course of treatment. Protection of the prosthesis and dead-space management may be achieved through the use of antibiotic loaded cements and beads to release high concentrations of antibiotics at the surgical site. The antibacterial and antibiofilm efficacy of these materials is poorly understood in the context of mixed species models, such as are often encountered clinically.
Acidity of hyperconcentrated electrolyte solutions. Hammett acidity function measurements for aqueous ZnCl2, + LiCl solutions (1980)

The Hammett acidity function has been evaluated by means of spectrophotometric measurements with thymol blue indicator for (1-x)(ZnCl2,RH2O)+x(LiCl,RH2O) pseudobinary mixtures where R is 4 and 6. The pseudobinary mixtures have well defined minimum acidity near the composition (x = 0.67) which corresponds to the tetrachlorozincate ion stoichiometry. The acidity data for these mixtures support the conclusion that the properties of mixtures with R = 6 are dominated by formation of tetrachlorozincate anions.
New Topics in Vasopressin Receptors and Approach to Novel Drugs: Role of the Vasopressin Receptor in Psychological and Cognitive Functions (2009)

Arginine vasopressin (AVP) is a neurohypophyseal peptide best known as an antidiuretic hormone. AVP receptors have been classified into three subtypes: V1a, V1b, and V2 receptors. V1a receptor (V1aR) and V1b receptor (V1bR) are widely distributed in the central nervous system, including the septum, cortex, hippocampus, and hypothalamus. Clinical studies have demonstrated an involvement of AVP in psychiatric disorders. In the present study, we examined the performance of V1aR or V1bR knockout (KO) mice compared to wild-type (WT) mice in behavioral tests. V1aR and V1bR KO mice exhibited deficits of social behavior and prepulse inhibition in comparison to WT mice. Moreover, V1aR KO mice exhibited reduced anxiety-like behavior and impairment of spatial learning. These results suggest that V1aR and V1bR play an important role in psychological and cognitive functions.
The Impact of Hardiness on Aerobic and Anaerobic Power Changes During a College Soccer Season (2004)

1516 Though recent research has highlighted soccer-specific fitness changes that occur over the course of a competitive season in elite foreign players and referees, little is known about the performance changes in high-level collegiate soccer players in the U.S. or about proposed psychological factors that may moderate the response to the stress of training. PURPOSE: To determine physical performance changes of Division I college soccer players throughout the competitive season and the relationship of these changes to levels of psychological hardiness. METHODS: Aerobic and anaerobic power were assessed in male (N = 23) collegiate soccer players using the Yo-Yo N = intermittent recovery test and vertical jump, respectively. The fitness assessments were administered at the beginning and end of the preseason, and at midseason. Players also completed the Hardiness Scale (Nowack, 1991). RESULTS: Repeated measures MANOVA revealed significant fitness changes over the competitive season (P<.001). Follow-ups indicated that these changes occurred for both the Yo-Yo intermittent recovery test and vertical jump (Ps<.01). From preseason to the start of the season, aerobic fitness improved 37.3 ± 17.1% (P<.001) while anaerobic power remained unchanged (−1.0 ± 2.8%, p>.20). From the start of the season to mid-season, aerobic fitness decreased slightly (−7.4 ± 14.9%, p = .051), but still remained higher than preseason values (P<.01). Anaerobic power decreased 3.2 ± 4.1% (P<.01) during this same period and was below preseason values (P<.01). Hardiness was only found to be related to changes in vertical jump during the period between the end of preseason and midseason (r = −.56, p<.01). CONCLUSIONS: Typical training prior to and during a competitive soccer season appears to favor improvements in aerobic power at the expense of anaerobic power. Thus, it may be advisable to increase training specifically devoted to anaerobic power in order to prevent deteriorations over the competitive season. Hardiness appears to be a better predictor of psychological changes than of performance changes seen with training.
Modulated electromechanics: large enhancements of nonlinearities (2014)

It is well-known that the nonlinear coupling between a mechanical oscillator and a superconducting oscillator or optical cavity can be used to generate a Kerr-nonlinearity for the cavity mode. We show that the strength of this Kerr-nonlinearity, as well as the effect of the photon-pressure force can be enormously increased by modulating the strength of the nonlinear coupling. We present an electromechanical circuit in which this enhancement can be readily realized.
Comparative Assessment of Direct and Indirect Probabilistic Methods for Thermomechanical Analysis of Structural Components in Gas Turbines (2003)

Various sources of uncertainty greatly affect the life of structural components of gas turbines. Probabilistic approaches provide a means to evaluate these uncertainties; however, the accuracy of these approaches often remains unknown. Published quantitative studies of the effectiveness of various uncertainty quantification techniques are usually based on very simple examples. This is contrasted by the large-size finite element models that are used for complex geometries of critical structural parts such as turbine blades or nozzles. In such real-life applications the expenses of the “function calls” (runs of these models) preclude systematic studies of probabilistic methods. These expenses are attributed not only to the actual runs of the model, but to the difficulties in parametrically changing the model as well. Such a “complexity gap” leads to a justifiable concern over whether the trends identified in academic studies are relevant to these industrial applications. As a result, structural engineers end up with the number of function calls that they can afford rather than what would be needed for the required level of accuracy. The present effort intends to bridge this gap by studying a mid level problem: a simplified notional finite element model of a gas turbine component is presented. Despite its simplicity, the model is designed to reflect the major features of more realistic models. The parametric changes of the model are fully automated, which allows for performing an extensive set of benchmark tests that help to determine the relative merits of various existing probabilistic techniques for component life assessment. Several meta-modeling techniques are investigated and their performance compared based on direct sampling methods. In this context, various Design of Experiments (DoE) methods are studied. The results are used to construct the Response Surface Equations (RSE) as well as the kriging models. It is emphasized that changes in the relative locations of the critical points induced by variation of independent parameters can critically affect the overall fidelity of the modeling; the means of remedying such a degradation in precision are discussed. Finally, it is shown that when the ranges of independent variables are large, kriging generally provides precision that is an order of magnitude better than RSE for the same DoE.
The frequency dependent FDTD method for multi-frequency results in microwave hyperthermia treatment simulation (1993)

Among the techniques for speeding up the optimal parameter achievement processes in hyperthermia treatment planning, pulse excitation in the FDTD, (finite-difference time-domain) method plays an important role because it provides multi-frequency results with a single run of the code. The introduction of the frequency dependent FDTD ((FD)2TD) method has also recently provided a means to accurately deal with dispersive tissues on the condition that they have a first-order permittivity. A multi-relaxation (FD)2TD approach which can improve the match between actual and simulated tissue permittivities is presented. A comparison of ordinary FDTD, triple-relaxation (FD)2TD and analytical results in a muscle cylinder struck by a TM plane wave demonstrates the errors caused in the early multi-frequency approaches by using average permittivity values. An example of the calculation of absorption rate density (ARD) distributions in a patient specific model of a head/neck tumour managed by a waveguide applicator is reported. Some secondary refinements of the method, such as the use of dispersive absorbing boundary conditions and a field-equivalence theorem for separating applicator from tissue calculations, are also discussed.