gebhart/patrepeval huggingface dataset:
The Measurement of the Rate Parameters for the Reactions i‐C3H and n‐C3H + HI → C3H8 + I• over the Temperature Range 293–623 K: Implications for the Standard Heat of Formation of the Propyl Radicals (2013)

ABSTRACT An investigation of the absolute rate constants of the metathesis reactions i ‐C 3 H + HI → C 3 H 8 + I • (1) and n ‐C 3 H + HI → C 3 H 8 + I • (2) was performed using a newly developed apparatus. The obtained Arrhenius expressions are k 1 = 1.94 (±0.42) × 10 −11 exp(−6.190 (±0.855)/ RT ) and k 2 = 6.49 (±1.86) × 10 −11 exp(−11.084 (±0.913)/ RT ) ( R = 8.314 J K −1 mol −1 ) over the temperature range 293–623 K ( A in cm 3 molec −1 s −1 , E a in kJ mol −1 ). Two Knudsen reactors of different geometry coupled to single‐photon (VUV) photoionization mass spectrometry (SPIMS) were successively used. The two propyl isomers were generated externally to and upstream of the reactor and led to thermalized i‐ and n‐C 3 H free radicals. A minor correction to k 2 for the wall loss of n‐C 3 H ( k w ) was applied throughout the temperature range, whereas no significant wall loss of i‐C 3 H could be measured. The obtained results are based on the disappearance of propyl radicals with increasing amounts of HI. Thermochemical parameters of propyl free radicals resulting from the present kinetic measurements are discussed and point toward a slightly lower value for the standard heat of formation of Δ f (i‐C 3 H ) compared to the currently accepted value, whereas no significant adjustment for n‐C 3 H seems to be necessary. The recommended values are Δ f (i‐C 3 H ) = 86.6 ± 2.1 kJ mol −1 and Δ f (n‐C 3 H ) = 101.1 ± 2.1 kJ mol −1 resulting from a third law evaluation using (i‐C 3 H ) = 289.9 and (n‐C 3 H ) = 290.3 J K −1 mol −1 , both values being very close to the values measured by W. Tsang, namely 88 ± 2 and 100 ± 2 kJ mol −1 , respectively.
X‐linked mild non‐syndromic mental retardation with neuropsychiatric problems and the missense mutation A365E in PAK3 (2003)

We describe a family of 19 males in five generations with mild to borderline non-syndromic X-linked mental retardation (MRX). There were no clinical manifestations in the affected males other than mental impairment and relatively long ears, with neuropsychiatric problems in some cases. Linkage analysis carried out on part of the pedigree using 34 markers spanning the X chromosome localized the gene between DXS454 and DXS1001 in Xq23. The maximum two-point lod score was 3.21 at DXS1059. PAK3 is a known MRX gene mapping to the same region. The affected males and obligate carrier females were found to have a missense mutation c.1094C > A in exon 10 causing an A365E substitution in a highly conserved region of the protein. The C to A base change abolishes a PvuII restriction enzyme site providing the basis for a simple test, if required, for carrier detection and prenatal diagnosis in the extended family.
A Blinking Mesoporous TiO2−x Composed of Nanosized Anatase with Unusually Long‐Lived Trapped Charge Carriers (2020)

Abstract A mesoporous TiO 2− x material comprised of small, crystalline, vacancy‐rich anatase nanoparticles (NPs) shows unique optical, thermal, and electronic properties. It is synthesized using polymer‐derived mesoporous carbon (PDMC) as a template. The PDMC pores serve as physical barriers during the condensation and pyrolysis of a titania precursor, preventing the titania NPs from growing beyond 10 nm in size. Unlike most titania nanomaterials, during pyrolysis the NPs undergo no transition from the anatase to rutile phase and they become catalytically active reduced TiO 2− x . When exposed to a slow electron beam, the NPs exhibit a charge/discharge behavior, lighting up and fading away for an average period of 15 s for an extended period of time. The NPs also show a 50 nm red‐shift in their UV/Vis absorption and long‐lived charge carriers (electrons and holes) at room temperature in the dark, even long after UV irradiation. The NPs as photocatalysts show a good activity for CO 2 reduction.
CPW and discontinuities modeling for circuit design up to 110 GHz in SOI CMOS technology. (2007)

This paper presents a new modeling method for integrated coplanar wave guides (CPW) and CPW discontinuities implemented in silicon on insulator (SOI) CMOS technology. Empirical equations, which are fitted to 3D EM simulations, are used to describe the electrical behavior of CPW as a function of the line's geometrical parameters. The models are validated through measurements up to 110 GHz. Thanks to accurate full wave simulations, discontinuities such as underpasses, 90deg bends, and tee and cross junctions are improved, and electrical models are developed. All models are easily implemented in commercial CAD tools. Finally, a 60 GHz band-pass filter is designed applying the described models and the simulations are compared to measurements.
Development of a Highly Sensitive and Specific Carboxy-Terminal Human Pancreastatin Assay to Monitor Neuroendocrine Tumor Behavior (2010)

This highly specific, sensitive pancreastatin assay can detect small changes in liver tumor progression and is up to 100-fold more sensitive and specific than CgA assays in the United States.
Synthesis of mutagenic heteroaromatics: 2-Aminoimidazo(4,5-f)quinolines. (1982)

Two potent mutagens, 2-amino-3-methylimidazo [4, 5-f] quinoline and 2-amino-3, 4-dimethylimidazo [4, 5-f] quinoline, were synthesized.
Effect of chondroitin sulfate on soluble biomarkers of osteoarthritis: a method to analyze and interpret the results from an open-label trial in unilateral knee osteoarthritis patients (2016)

ID ISRCTN63795830 . The trial was retrospectively registered on 2 October, 2015.
Preferential behavior in online groups (2008)

Online communities in the form of message boards, listservs, and newsgroups continue to represent a considerable amount of the social activity on the Internet. Every year thousands of groups ourish while others decline into relative obscurity; likewise, millions of members join a new community every year, some of whom will come to manage or moderate the conversation while others simply sit by the sidelines and observe. These processes of group formation, growth, and dissolution are central in social science, and in an online venue they have ramifications for the design and development of community software
Rare earths in phosphorites--geochemistry and potential recovery (1967)

Rare earths are only trace constituents of marine apatite, but as millions of tons of such apatite are dissolved annually to make phosphoric acid, an opportunity exists for greatly increasing rare-earth output as a by- product of fertilizer production. New, quantitative analyses of rare earths in representative apatite concentrates reveal that the potential for by-product rare earths equals current production. The rare-earth assemblage in marine apatite is unusual, showing depletion in cerium and relative enrichment in the heavier lanthanons, a favorable distribution for rare-earth technology and utilization. Uranium, thorium, and scandium may also be recoverable from phosphoric acid. (47 refs.)
Effects of Oxygen Sorption-Desorption on Superconductivity of High-Tc Bi(Pb)-Sr-Ca-Cu-O (1990)

Abstract Temperature-programmed desorption (TPD) chromatograms revealed that a small amount of oxygen (2.5 × 10−5 mol/g) was desorbed from high-Tc Bi(Pb)-Sr-Ca-Cu-O (BPSCCO) in the temperature range from ca. 350 to ca 600 °C. The Tc of BPSCCO lowered by 15 K from 111 K to 96 K with the above oxygen desorption below 600 °C, and was restored to the original level when the desorbed oxygen was recovered. As revealed by a temperature-programmed oxidation (TPO) technique, the desorbed oxygen was sorbed reversibly at ca 100–350 °C in a O2(5%)-He atmosphere, accompanied with an increase in Tc by 12 K. In these oxygen sorption- desorption processes, no corresponding changes in X-ray powder diffraction pattern were observed.
Process-based karst modelling to relate hydrodynamic and hydrochemical characteristics to system properties (2013)

Abstract. More than 30% of Europe's land surface is made up of karst exposures. In some countries, water from karst aquifers constitutes almost half of the drinking water supply. Hydrological simulation models can predict the large-scale impact of future environmental change on hydrological variables. However, the information needed to obtain model parameters is not available everywhere and regionalisation methods have to be applied. The responsive behaviour of hydrological systems can be quantified by individual metrics, so-called system signatures. This study explores their value for distinguishing the dominant processes and properties of five different karst systems in Europe and the Middle East. By defining ten system signatures derived from hydrodynamic and hydrochemical observations, a process-based karst model is applied to the five karst systems. In a stepwise model evaluation strategy, optimum parameters and their sensitivity are identified using automatic calibration and global variance-based sensitivity analysis. System signatures and sensitive parameters serve as proxies for dominant processes, and optimised parameters are used to determine system properties. By sensitivity analysis, the set of system signatures was able to distinguish the karst systems from one another by providing separate information about dominant soil, epikarst, and fast and slow groundwater flow processes. Comparing sensitive parameters to the system signatures revealed that annual discharge can serve as a proxy for the recharge area, that the slopes of the high flow parts of the flow duration curves correlate with the fast flow storage constant, and that the dampening of the isotopic signal of the rain as well as the medium flow parts of the flow duration curves have a non-linear relation to the distribution of groundwater storage constants that represent the variability of groundwater flow dynamics. Our approach enabled us to identify dominant processes of the different systems and provided directions for future large-scale simulation of karst areas to predict the impact of future change on karst water resources.
A Discrete Phase Model for Ferroelectric Domain Evolution (2011)

Discrete phase modeling utilizes a finite element framework with a Landau-Devonshire type multi-well potential as a material subroutine to model domain evolution in ferroelectrics. The time-dependent Ginzburg-Landau equation with polarization as an order parameter governs evolution of polarization. In the discrete phase method, the domain wall width is not controlled by an adjustable parameter, the gradient energy term used in phase field models; rather, it is controlled by a balance between mechanical, structural, and electrostatic contributions to the free energy. The effect of this energy balance on the resulting domain wall width of 90° and 180° tetragonal domain walls is discussed and examples are presented.
Nanoplasmonic sensing of metal–halide complex formation and the electric double layer capacitor (2012)

Many nanotechnological devices are based on implementing electrochemistry with plasmonic nanostructures, but these systems are challenging to understand. We present a detailed study of the influence of electrochemical potentials on plasmon resonances, in the absence of surface coatings and redox active molecules, by synchronized voltammetry and spectroscopy. The experiments are performed on gold nanodisks and nanohole arrays in thin gold films, which are fabricated by improved methods. New insights are provided by high resolution spectroscopy and variable scan rates. Furthermore, we introduce new analytical models in order to understand the spectral changes quantitatively. In contrast to most previous literature, we find that the plasmonic signal is caused almost entirely by the formation of ionic complexes on the metal surface, most likely gold chloride in this study. The refractometric sensing effect from the ions in the electric double layer can be fully neglected, and the charging of the metal gives a surprisingly small effect for these systems. Our conclusions are consistent for both localized nanoparticle plasmons and propagating surface plasmons. We consider the results in this work especially important in the context of combined electrochemical and optical sensors.
STONE CERAMIC TILE STYLE AND A TURQUOISE APPLICATION (2014)

The purpose of this research is to notify the infrastructure of application methods of Seljuk stone tile which was used by Seljuks, to find out the formation of turquoise color and its shades experimentally. Keywords: Stone tile, decorating, Seljuk
Improved LLC Resonant Converter with Rectifier Operating in Three Operation Modes for Wide Voltage Range Applications (2021)

When the input or output voltage range of the LLC converter is wide, the switching frequency must extend its range to cover the required voltage, and the magnetizing inductance needs to be reduced to increase the voltage gain. This leads to reduced efficiency due to increased conduction losses. Consequently, this paper proposes an LLC resonant converter with a wide voltage range based on a reconfigurable voltage rectifier for high-DC bus applications. Owing to the reconfiguration of the rectifier by two active switches, the rectifier can operate in three operation modes— voltage-doubler rectifier, a voltage-tripler rectifier, and a voltage-quadrupler rectifier. The proposed converter extends its voltage gain by changing the rectifier structure while the switching frequency operates near the resonant frequency. All MOSFET switches are turned on with zero-voltage switching, and all secondary diodes are turned off with zero-current switching. As a result, the performance efficiency is improved compared to that of the conventional LLC converter. A laboratory prototype was designed and experimentally tested to validate the operation and advantages of the proposed converter.
A Comprehensive Dynamic End Milling Simulation Model (2005)

This paper presents a comprehensive time domain model that simulates end milling processes under general cutting conditions. Over an extensive range of axial depths of cut, the model can accurately predict regenerative forces and dynamic responses by considering varying dynamics along the cutting depth, three-dimensional forces, and cutting tool geometries. The prediction of stability limit is validated under cutting conditions of both large depths and very small radial immersions. In addition, three-dimensional surface profiles under both stable and chatter conditions are predicted and compared with measured ones. A new method to extract cutting pressure coefficients is also introduced and applied to the experimental validations.
Fitness and infectivity of drug-resistant and cross-resistant HBV mutants: why and how is it studied? (2010)

The emergence of hepatitis B virus (HBV) drug-resistant (and multidrug-resistant) strains during long-term therapy with nucleoside/nucleotide analogues is associated with treatment failure and, therefore, represents a clinical challenge. For clinicians, the close monitoring and management of resistance has become a key issue in clinical practice. For HBV virologists, the understanding of the mechanism of emergence of specific mutant strains in the viral quasispecies during treatment is also an important issue. If a particular viral strain can emerge in the quasispecies within a particular environment, it is probably because its fitness is superior to other strains. The present review focuses on viral fitness as well as viral infectivity, and in particular on technical means that are available to study this viral fitness in vitro and in animal models.
Supplementary Table 1 from Stress-Mediated Attenuation of Translation Undermines T-cell Activity in Cancer (2023)

&lt;p&gt;Mixed linear modeling results for tumor curves&lt;/p&gt;
Immune system-related CD9 is expressed in mouse central nervous system myelin at a very late stage of myelination (1997)

CD9 is a tetra-membrane-spanning glycoprotein involved in cell adhesion, migration, and proliferation in both the immune and the immature nervous system. In this study, CD9 expression was detected in myelin of mouse brain, starting at postnatal day 16. The amount of CD9 protein continuously increased with age and persisted in the adult brain. It appeared later than myelin proteolipid protein (PLP), a typical late myelin marker. Mature oligodendrocytes were abundant in CD9, although it was also detected in astrocytes and microglial cells in vitro. CD9 appeared at the end of the myelination process and was localized along the outermost membrane of compact myelin. CD9 is known to associate with integrins, which are candidate receptors for extracellular matrix and transmit extracellular signals into the cells. Taken together, CD9 at the surface of central nervous system (CNS) mature myelin may have a unique function to facilitate signal transduction and enhance myelin membrane adhesion to extracellular matrices at very late stages of development.
Hydrodynamic immunization leads to poor CD8 T-cell expansion, low frequency of memory CTLs and ineffective antiviral protection (2013)

Hepatotropic pathogens, such as hepatitis B (HBV) and hepatitis C (HCV), often escape cellular immune clearance resulting in chronic infection. As HBV and HCV infections are the most common causes of hepatocellular carcinoma (HCC), prevention of these infections is believed to be key to the prevention of HCC. It is believed that an effective immune therapy must induce strong cytotonic T lymphocytes (CTLs) that can migrate into the liver, where they can clear infected hepatocytes. Here, we compared the induction of CD8 T cells by two different DNA immunization methods for T-cell differentiation, function, memory programming and their distribution within relevant tissues in a highly controlled fashion. We used hydrodynamic tail vein injection of plasmid to establish liver-specific LCMV-gp antigen (Ag) transient expression, and studied CD8 T cells induced using the P14 transgenic mouse model. CD8 T cells from this group exhibited unique and limited expansion, memory differentiation, polyfunctionality and cytotoxicity compared with T cells generated in intramuscularly immunized mice. This difference in liver-generated expansion resulted in lower memory CD8 T-cell frequency, leading to reduced protection against lethal viral challenge. These data show an unusual induction of naive CD8 T cells contributed to the lower frequency of Ag-specific CTLs observed after immunization in the liver, suggesting that limited priming in liver compared with peripheral tissues is responsible for this outcome.
Organometallic paramagnetic camphor complexes. EPR investigation of their formation and structures (1992)

Abstract Photochemical reactions of camphor and other diones with carbonylmanganese or aryltin compounds lead to paramagnetic complexes. The radicals derived from Mn 2 (CO) 10 and Mn 2 (CO) 8 (PR 3 ) 2 are formulated as sixcoordinate complexes with different structures depending on the organic moiety, and they are characterized by their EPR and ENDOR data. Under the same conditions, the tin compounds form five‐coordinate complexes in which the organic ligand occupies one equatorial and one axial position in the bipyramidal structure. Consequently, two permutation isomers are expected if camphor quinone is used as a scavenger for the photolytically generated tin radicals, independent of the structure of the trapped species. These two species can be detected by ENDOR and triple resonance experiments if the interconversion is slow with respect to the EPR time scale. Diastereomeric complexes are obtained by the formation of a second chiral centre, at the tin atom, in the course of the reaction. However, these isomers cannot be distinguished by ENDOR spectroscopy under the conditions applied.
Viewpoint: Homeostasis as Inspiration—Toward Interactive Materials (2020)

Homeostatic systems combine an ability to maintain integrity over time with an incredible capacity for interactive behavior. Fundamental to such systems are building blocks of "mini-homeostasis": feedback loops in which one component responds to a stimulus and another opposes the response, pushing the module to restore its original configuration. Particularly when they cross time and length scales, perturbation of these loops by external changes can generate diverse and complex phenomena. Here, it is proposed that by recognizing and implementing mini-homeostatic modules-often composed of very different physical and chemical processes-into synthetic materials, numerous interactive behaviors can be obtained, opening avenues for designing multifunctional materials. How a variety of controlled, nontrivial material responses can be evoked from even simple versions of such synthetic feedback modules is illustrated. Moreover, random events causing seemingly random responses give insights into how one can further explore, understand and control the full interaction space. Ultimately, material fabrication and exploration of interactivity become inseparable in the rational design of such materials. Homeostasis provides a lens through which one can learn how to combine and perturb coupled processes across time and length scales to conjure up exciting behaviors for new materials that are both robust and interactive.
Enamine/Transition Metal Combined Catalysis: Catalytic Transformations Involving Organometallic Electrophilic Intermediates (2020)

The concept of merging enamine activation catalysis with transition metal catalysis is an important strategy, which allows for selective chemical transformations not accessible without this combination. The amine catalyst activates the carbonyl compounds through the formation of a reactive nucleophilic enamine intermediate and, in parallel, the transition metal activates a wide range of functionalities such as allylic substrates through the formation of reactive electrophilic π-allyl-metal complex. Since the first report of this strategy in 2006, considerable effort has been devoted to the successful advancement of this technology. In this chapter, these findings are highlighted and discussed.
Spatially Aware Cell Cluster(SpACCl) Graphs: Predicting Outcome in Oropharyngeal p16+ Tumors (2013)

Quantitative measurements of spatial arrangement of nuclei in histopathology images for different cancers has been shown to have prognostic value. Traditionally, graph algorithms (with cell/nuclei as node) have been used to characterize the spatial arrangement of these cells. However, these graphs inherently extract only global features of cell or nuclear architecture and, therefore, important information at the local level may be left unexploited. Additionally, since the graph construction does not draw a distinction between nuclei in the stroma or epithelium, the graph edges often traverse the stromal and epithelial regions. In this paper, we present a new spatially aware cell cluster (SpACC1) graph that can efficiently and accurately model local nuclear interactions, separately within the stromal and epithelial regions alone. SpACC1 is built locally on nodes that are defined on groups/clusters of nuclei rather than individual nuclei. Local nodes are connected with edges which have a certain probability of connectedness. The SpACC1 graph allows for exploration of (a) contribution of nuclear arrangement within the stromal and epithelial regions separately and (b) combined contribution of stromal and epithelial nuclear architecture in predicting disease aggressiveness and patient outcome. In a cohort of 160 p16+ oropharyngeal tumors (141 non-progressors and 19 progressors), a support vector machine (SVM) classifier in conjunction with 7 graph features extracted from the SpACC1 graph yielded a mean accuracy of over 90% with PPV of 89.4% in distinguishing between progressors and non-progressors. Our results suggest that (a) stromal nuclear architecture has a role to play in predicting disease aggressiveness and that (b) combining nuclear architectural contributions from the stromal and epithelial regions yields superior prognostic accuracy compared to individual contributions from stroma and epithelium alone.