gebhart/patrepeval huggingface dataset:
Stoichiometric and Catalytic Reactions of the Polysiloxane‐Bound (Ether‐Phosphine)Rhodium(I) Complex [ClRh(PO)(P ∼ O)] in Interphases (1997)

Abstract The reaction of four equivalents of the monomeric trimethoxysilyl(T)‐functionalized ether‐phosphine ligand CyP(CH 2 CH 2 OCH 3 )(CH 2 ) 3 SiR 3 (R = OMe [ 1 a(T 0 )], Me [ 1 b ]) with [{μ‐ClRh(COE) 2 } 2 ] yielded the monomeric pseudo 14 electron rhodium(I) complexes [ClRh(PO)(P∼O)] ( 2a(T 0 ) 2 , 2 b ). For the sol‐gel process the complex 2 a(T 0 ) 2 was protected by introduction of the volatile, reversibly binding ligand pyridine. Thus, the monomeric compound 2 a(T 0 ) 2 was co‐condensed with two and eight equivalents of the co‐condensation agent MeSi(OMe) 2 (CH 2 ) 6 (MeO) 2 SiMe ( D 0 ‐C 6 ‐D 0 ) to give the polysiloxane‐bound congeners 2(T n ) 2 ( D i ‐C 6 ‐D i ) y ( y = 2 and 8, respectively; i = 0–2; n = 0–3). The polysiloxane‐bound complex 2(T n ) 2 ‐( D i ‐C 6 ‐D i ) 2 was treated with a variety of small molecules in the gas/solid and liquid/solid interphases. It was shown that a facile cleavage of the Rh‐O bond in the ether‐phosphine chelate occurred even in the solid state. The reaction of 2(T n ) 2 ‐( D i ‐C 6 ‐D i ) 2 with carbon monoxide, carbon disulfide, and diphenylacetylene resulted in the irreversible coordination of the molecule to the metal. In the presence of pyridine, the polysiloxane‐bound complex 2(T n ) 2 ‐( D i ‐C 6 ‐D i ) 2 oxidatively added hydrogen to give the octahedrally configurated complex [ClRhH 2 (Py)(P ∼ O) 2 ] [ 6(T n ) 2 ( D i ‐C 6 ‐D i ) 2 ]. Treatment of dry 2(T n ) 2 ‐( D i ‐C 6 ‐D i ) 2 with ethene led to the reversible formation of the corresponding complex. Although the materials display low surface areas, at least 75% of the rhodium centers within the matrix are accessible to the rather bulky tolan molecules. The complexes 2(T n ) 2 ( D i ‐C 6 ‐D i ) y ( y ( y = 2, 8) show high activities and selectivities in the hydrogenation of tolan. The conversion was found to depend markedly on the amount of co‐condensate ( D 0 ‐C 6 ‐D 0 ) and on the polarity of the solvent. The polysiloxane‐bound complexes 2(T n ) 2 ( D i ‐C 6 ‐D i ) y are more active than their monomeric congener 2 a(T 0 ) 2 .
Initial temporal and spatial changes of the refractive index induced by focused femtosecond pulsed laser irradiation inside a glass (2005)

The temporal and spatial developments of the refractive-index change in a focal region of a femtosecond-laser pulse inside a soda-lime glass is investigated by the transient lens (TrL) method with a time resolution of subpicosecond. In the TrL signal, the oscillation with about an 800-ps period is observed until about 2000 ps. In order to explain the oscillation, the thermoelastic response of a heated material by a short pulsed laser is calculated. It is found that the TrL signal calculated based on the thermoelastic calculation reproduces the observed oscillating signal very well, even though the calculated density at the focal region does not oscillate. The essential feature of the oscillation can be explained in terms of the pressure wave generation and propagation in the outward direction from the irradiated region. Based on the pressure-wave propagation and the phase-retrieval method, the temporal evolution of the refractive-index distribution inside a glass is obtained from the probe-beam deformation (TrL image) at various delay times between the pump and probe pulses. Two phases of the refractive-index increase at the laser focal region were observed in a range of 20--100 and 500--700 ps, which may cause a permanent refractive-index increase in the laser focal region inside a glass. We discuss the effect of the laser pulse duration on the material deformation process in the laser-irradiated region. This study clearly shows the initial process of the material deformation dynamics inside a glass after femtosecond laser irradiation.
Molecular characterization of an abnormal fibrinogen by two-dimensional electrophoresis. (1984)

Abstract We examined normal and abnormal fibrinogen (fibrinogen "Grenoble") by two-dimensional gel electrophoresis to obtain data on possible defects at the molecular level. Fibrinogen Grenoble is characterized by an abnormal rate of fibrin monomer aggregation. The electrophoretic analysis revealed the presence of abnormal gamma chains. Two kinds of gamma chains can be detected in fibrinogen Grenoble: (a) normal gamma chains and (b) gamma chains Grenoble (gamma G) with a greater molecular mass but no modification in isoelectric point. The latter chain can be detected in whole plasma by two-dimensional gel electrophoresis. Metrological analysis was performed in an attempt to quantify observed differences between normal fibrinogen and fibrinogen Grenoble. On use of gels stained either with Coomassie Brilliant Blue or with silver, the partly qualified evaluation gives about 60% normal gamma chain and 40% gamma chain Grenoble.
Faculty Opinions recommendation of Expanded GGGGCC hexanucleotide repeat in noncoding region of C9ORF72 causes chromosome 9p-linked FTD and ALS. (2012)

Several families have been reported with autosomal dominant frontotemporal dementia (FTD) and amyotrophic lateral sclerosis (ALS), genetically linked to chromosome 9p21. Here we report an expansion of a non-coding GGGGCC hexanucleotide repeat in the gene C9ORF72 that is strongly associated with disease in a large FTD/ALS kindred, previously reported to be conclusively linked to chromosome 9p. This same repeat expansion was identified in the majority of our families with a combined FTD/ALS phenotype and TDP-43 based pathology. Analysis of extended clinical
Applications of Thermal Energy Storage to Waste Heat Recovery in the Food Processing Industry (Final Report) (1979)

A project is discussed in which the possibilities for economical waste heat recovery and utilization in the food industry were examined. Waste heat availability and applications surveys were performed at two manufacturing plants engaged in low temperature (freezing) and high temperature (cooking, sterilizing, etc.) food processing. The surveys indicate usable waste heat is available in significant quantities which could be applied to existing, on-site energy demands resulting in sizable reductions in factory fuel and energy usage. At the high temperature plant, the energy demands involve the heating of fresh water for boiler make-up, for the food processes and for the daily clean-up operation. Clean-up poses an opportunity for thermal energy storage since waste heat is produced during the one or two production shifts of each working day while the major clean-up effort does not occur until food production ends. At the frozen food facility, the clean-up water application again exists and, in addition, refrigeration waste heat could also be applied to warm the soil beneath the ground floor freezer space. Systems to recover and apply waste heat in these situations were developed conceptually and thermal/economic performance predictions were obtained. The results of those studies indicate the economics of waste heat recovery can be attractive for facilities with high energy demand levels. Small factories, however, with relatively low energy demands may find the economics marginal although, percentagewise, the fuel and energy savings are appreciable.
THE MEASUREMENT OF STACKING FAULT ENERGY (1966)

Two recent methods for the measurement of the stacking fault energy γ have been critically examined. The first method based on an analysis of the climb kinetics of faulted loops has been discussed with special reference to f. c. c. and c. p. h. metals. The second technique, which depends on the measurement of a simple preferred orientation parameter, has been compared with other more conventional methods of estimating γ and some recent measurements of the variation of stacking fault energy with electronic d-band structure are discussed.
Complex Padé approximants for wide-angle acoustic propagators (2000)

Procedures for constructing wide-angle propagators that attenuate evanescent modes in parabolic equation (PE) models of underwater sound propagation are examined. In this context, two new split-step Padé approximations to exponentiated square-root operators are proposed. The first method involves a propagator derived from a Padé approximant of a square-root operator that has been rotated in the complex plane while the propagator of the second method is obtained from a complex coefficient rational approximation of the square-root operator. Numerical evidence confirms that these proposed methods yield improved behavior compared to previously suggested techniques in selected areas of the spectral domain.
ModelOrder Reduction in Electromagnetics Using ModelBased Parameter Estimation (2009)

This chapter outlines and demonstrates the use of model-based parameter estimation (MBPE) in electromagnetics. MBPE can be used to circumvent the requirement of obtaining all samples of desired quantities (e.g., impedance, gain, RCS) from a first-principles model (FPM) or from measured data (MD) by instead using a reduced-order, physically based approximation of the sampled data called a fitting model (FM). One application of a FM is interpolating between (pole-series FMs), and/or extrapolating from (exponential-series FMs), samples of FPM or MD observables to reduce the amount of data that is needed. A second is to use a FM in FPM computations by replacing needed mathematical expressions with simpler analytical approximations to reduce the computational cost of the FPM itself. As an added benefit, the FMs can be more suitable for design and optimization purposes than the usual numerical data that comes from a FPM or MD because the FMs can normally be handled analytically rather than via operations on the numerical samples. Attention here is focused on the use of FMs that are described by exponential and pole series, and how data obtained from various kinds of sampling procedures can be used to quantify such models, i.e., to determine numerical values for their coefficients.
A Greener Method Towards the Synthesis of 1,3-Diarylimidazolium Tetrafluoroborates (2011)

A new strategic method for the synthesis of 1,3-diarylimidazolium tetrafluoroborate salts is illustrated herein. A solvent-free approach was employed in the synthesis of the diimines which are precursors in the preparation of the imidazolium salts. The reaction proceeds faster, cleaner and in a better yield than previously reported methods.
Functional MRI : an introduction to methods (2002)

PART I: INTRODUCTION PART II: PHYSICS AND PHYSIOLOGY PART III: EXPERIMENTAL DESIGN PART IV: ANALYSIS OF FUNCTIONAL IMAGING DATA PART V: FMRI APPLICATIONS PART VI: INTEGRATING TECHNOLOGIES
Matrix scheduler reloaded (2007)

From multiprocessor scale-up to cache sizes to the number of reorder-buffer entries, microarchitects wish to reap the benefits of more computing resources while staying within power and latency bounds. This tension is quite evident in schedulers, which need to be large and single-cycle for maximum performance on out-of-order cores. In this work we present two straightforward modifications to a matrix scheduler implementation which greatly strengthen its scalability. Both are based on the simple observation that the wakeup and picker matrices are sparse, even at small sizes; thus small indirection tables can be used to greatly reduce their width and latency. This technique can be used to create quicker iso-performance schedulers (17-58% reduced critical path) or larger iso-timing schedulers (7-26% IPC increase). Importantly, the power and area requirements of the additional hardware are likely offset by the greatly reduced matrix sizes and subsuming the functionality of the power-hungry allocation CAMs.
Eje terminal de bisagra: correspondencia topográfica articular y bioscópica (1991)

HEMOS ESTUDIADO UNA MUESTRA DE 61 SUJETOS, MEDIANTE TOMOGRAFIA AXIAL COMPUTADORIZADA Y TELERADIOGRAFIA LATERAL TRAS LA LOCALIZACION DE LA PROYECCION CUTANEA DEL EJE TERMINAL DE BISAGRA LOCALIZADO MEDIANTE ARCO CINEMATICO DE ALMORE. UNA VEZ HALLADO, TATUAMOS UN DISCRETO PUNTO CON PINTURA DE TATUAJES ROSA, PEGAMOS UNA BOLITA DE PLOMO (RADIDOPACA) SOBRE EL Y REALIZAMOS EL ESTUDIO RADIOLOGICO, QUE NOS PERMITIO RELACIONAR EL MARCADOR RADIDOPACO CON LAS ESTRUCTURAS OSEAS MEDIALES A EL. ASIMISMO, A LOS PACIENTES SE LES DETERMINO UN EJE ARBITRARIO SEGUN LA TECNICA DE GUICHET Y OTRO SEGUN LA DE SCHUARTZ-CAPUSELLI. PUDIMOS DETERMINAR EL PASO DEL EJE TERMINAL DE BISAGRA POR LOS CONDILOS MANDIBULARES EN SUS TERCIOS MEDIO Y BASAL, EN EL PLANO SAGITAL, Y POR LOS TERCIOS MEDIO Y POSTERIOR EN EL PLANO HORIZONTAL. LAS DETERMINACIONES DEL EJE DE BISAGRA POR MEDIOS ARBITRARIOS (SCHUARTZ Y GUICHET) INTRODUCEN SESGOS INTOLERABLES PARA EL TRATAMIENTO REHABILITADOR ORAL.
The viscoelastic properties of the cervical mucus plug (2013)

The CMPs are solid-like viscoelastic structures. These rheological characteristics are probably essential for the CMP's ability to form and sustain a plug in the cervical canal during pregnancy, thereby reducing the risk of ascending infections. The technique described here might be used for evaluation of an association between CMP viscoelasticity and preterm delivery.
A Cricothyroidotomy Simulator with Haptic and 3D Visual Feedback (2006)

Aims: Open cricothyroidotomy is an essential skill in emergency airway management. It is the procedure of choice when ventilation cannot be achieved by less invasive methods. This skill has relevance to both military and civilian medical services. For example, cricothyroidotomy is the recommended approach for the management of certain thermal or toxic gas injuries during tactical field care. As another example, cricothyroidotomy may be necessary to secure the airway in gunshot wounds to the face, a situation that can be encountered both during combat and in the civilian emergency room. Current training models are inadequate from a physiological and anatomical perspective. We have developed a VR-based simulator that addresses these shortcomings. To date, no comparable computer-based simulator for cricothyroidotomy has been developed. Methods: Our system is based on the Haptic Workbench. Using this paradigm, users can feel virtual objects in the same location as their visual sense reports. Hand-eye coordination is preserved. Our simulator teaches students the dexterous skills necessary for cricothyroidotomy. Students can palpate a virtual neck to locate the cricothyroid membrane. The thyroid model encodes the properties of various tissue types. The system uses a novel combination of texture-mapped visuals and haptic feedback to simulate cutting. This approach creates the appearance of incisions on the skin surface, but does not change the model’s topology. Surgical effects, such as bleeding are generated. The system can also simulate endotracheal tube insertion. Results: Fig. 1 is a screenshot of the simulator in use. Preliminary assessment by surgeons familiar with the procedure has been favorable. The evaluators commented favorably on the accuracy of tactile response during palpation, incision, and intubation, as well as the visual effects of bleeding.FigureConclusions: A prototype cricothyroidotomy simulator has been developed. Initial evaluation by subject matter experts is favorable. Our next focus is to incorporate self- and cognitive-training capabilities in the simulator. Conflict of Interest: Authors indicated they have nothing to disclose.
[μ-<i>N</i>,<i>N</i>′-Bis(2-pyridylmethylene)ethane-1,2-diamine]bis{aqua[<i>N</i>,<i>N</i>′-bis(2-pyridylmethylene)ethane-1,2-diamine]manganese(II)} tetrakis(perchlorate) (2010)

The cation of the salt, [Mn(2)(C(14)H(14)N(4))(3)(H(2)O)(2)](ClO(4))(4), lies on a center of inversion, the center lying midway along the ethyl-ene chain of the bridging N,N'-bis-(2-pyridylmethyl-ene)ethane-1,2-diamine ligand. The Mn atom is chelated by two atoms N atoms of this bridging ligand, and is also coordinated by four N atoms of another ligand. The Mn atom is seven-coordinated in a penta-gonal-bipyramidal environment. The crystal structure displays inter-molecular π-π inter-actions between adjacent pyridine rings, with a shortest centroid-centroid distance of 3.784 (3) Å. The perchlorate is linked to the dinuclear cation by O-H⋯O hydrogen bonds.
Searching for kinesin's mechanical amplifier (2000)

Kinesin, a microtubule-based motor, and myosin, an actin-based motor, share a similar core structure, indicating that they arose from a common ancestor. However, kinesin lacks the long lever-arm domain that is believed to drive the myosin power stroke. Here, we present evidence that a much smaller region of ca. 10-40 amino acids serves as a mechanical element for kinesin motor proteins. These 'neck regions' are class conserved and have distinct structures in plus-end and minus-end-directed kinesin motors. Mutagenesis studies also indicate that the neck regions are involved in coupling ATP hydrolysis and energy into directional motion along the microtubule. We suggest that the kinesin necks drive motion by undergoing a conformational change in which they detach and re-dock onto the catalytic core during the ATPase cycle. Thus, kinesin and myosin have evolved unique mechanical elements that amplify small, nucleotide-dependent conformational changes that occur in their similar catalytic cores.
Formation of Particles in Sol-Gel Process (1989)

The formation of particles in starting solutions and its significance for the sol-gel processing of oxide materials are reviewed on the basis of previous works including our work. First, hydrolysis and polycondensation reactions of metal alkoxides in alcohol-water solutions are briefly discussed. Then, it is shown that powders prepared by the sol-gel method using metal alkoxides are suitable as starting powders for high performance glasses and ceramics because the particles produced are fine, monodispersed and uniform in chemical composition. It is also shown that the formation of round-shaped particles larger than, say, 10 nm in sols may lead to porous silica monoliths of plate or rod shape without occurrence of cracks during drying of the wet gel. It should be noted that crack-free gel monoliths can be sintered to monoliths of glass and ceramics. It is shown that essentially one-dimensional long-shaped particles can be produced by adjusting the composition and conditions of processing of the starting solution, which is required for fiber drawing from viscous sols in the course of sol-to-gel conversion.
Simulation of the Solidification Kinetics and Crystallisation Kinetics at Injection Moulding (2006)

During the moulding process of semi-crystalline plastic parts inner structures are locally created during solidification. These local structures dominate the final parts properties to a great extent. A big influence in this is the crystallisation process during the cooling of the part. The crystallisation by the spherulite growth plays a dominant role. A model to predict the spherulite growth was implemented by us in a three-dimensional injection moulding simulation tool using the Finite Element Method. The implementation and first results are presented and discussed in this paper.
^|^Uuml;ber das kombinierte Vorkommen des partiellen Riechlappendefektes mit dem Eunuchoidismus. (1940)

Die Riechlappendefekte sind selten und lassen sich in zwei Gruppen einteilen. Diese sind die Gruppe der Arhinencephalie im Sinne von Kun dr at und die Gruppe des partiellen Riechlappendefektes bei sonst normaler oder fast normaler Entwicklung der ubrigen Hirnteile. Die Arhinencephalie im Sinne von Kundrat bilden nach ihra mit der Cyclopie eine
Object-related activity revealed byfunctional magnetic resonance imaging inhumanoccipital cortex (1995)

Thestages ofintegration leading fromlocal feature analysis toobject recognition wereexplored inhuman visual cortex byusing thetechnique offunctional magnetic resonance imaging. Herewereport evidence forobject-related activation. Suchactivation waslocated atthelateral-posterior aspect oftheoccipital lobe, just abutting theposterior aspect ofthemotion-sensitive areaMT/V5,inaregion termed the lateral occipital complex (LO). LOshowedpreferential acti- vation toimages ofobjects, compared toawiderangeof texture patterns. Thisactivation wasnotcaused byaglobal difference intheFourier spatial frequency content ofobjects versus texture images, since object images produced enhanced LOactivation compared totextures matched inpowerspectra butrandomized inphase. Thepreferential activation toob- jects alsocould notbeexplained bydifferent patterns ofeye movements: similar levels ofactivation wereobserved when subjects fixated ontheobjects andwhentheyscanned the objects withtheir eyes. Additional manipulations suchas spatial frequency filtering anda4-fold change invisual size didnotaffect LO activation. Theseresults' suggest thatthe enhanced responses toobjects werenotamanifestation of low-level visual processing. A striking demonstration that activity inLOisuniquely correlated toobject detectability was produced bytheLincoln illusion, inwhichblurring of objects digitized intolarge blocks paradoxically increases their recognizability. Suchblurring ledtosignificant en- hancement ofLOactivation. Despite thepreferential activa- tion toobjects, LO didnotseemtobeinvolved inthefinal, semantic, stages oftherecognition process. Thus,objects varying widely intheir recognizability (e.g., famous faces, commonobjects, andunfamiliar three-dimensional abstract sculptures) activated ittoasimilar degree. Theseresults are thusevidence foranintermediate linkinthechainofpro- cessing stages leading toobject recognition inhumanvisual cortex.
Vibrational spectra from atomic fluctuations in dynamics simulations. I. Theory, limitations, and a sample application (2004)

Hybrid molecular dynamics (MD) simulations, which combine density functional theory (DFT) descriptions of a molecule with a molecular mechanics (MM) modeling of its solvent environment, have opened the way towards accurate computations of solvation effects in the vibrational spectra of molecules. Recently, Wheeler et al. [ChemPhysChem 4, 382 (2002)] have suggested to compute these spectra from DFT/MM-MD trajectories by diagonalizing the covariance matrix of atomic fluctuations. This so-called principal mode analysis (PMA) allegedly can replace the well-established approaches, which are based on Fourier transform methods or on conventional normal mode analyses. By scrutinizing and revising the PMA approach we identify five conditions, which must be guaranteed if PMA is supposed to render exact vibrational frequencies. Besides specific choices of (a) coordinates and (b) coordinate systems, these conditions cover (c) a harmonic intramolecular potential, (d) a complete thermal equilibrium within the molecule, and (e) a molecular Hamiltonian independent of time. However, the PMA conditions [(c)-(d)] and [(c)-(e)] are generally violated in gas phase DFT-MD and liquid phase DFT/MM-MD trajectories, respectively. Based on a series of simple analytical model calculations and on the analysis of MD trajectories calculated for the formaldehyde molecule in the gas phase (DFT) and in liquid water (DFT/MM) we show that in both phases the violation of condition (d) can cause huge errors in PMA frequency computations, whereas the inevitable violations of conditions (c) and (e), the latter being generic to the liquid phase, imply systematic and sizable underestimates of the vibrational frequencies by PMA. We demonstrate that the huge errors, which are caused by an incomplete thermal equilibrium violating (d), can be avoided if one introduces mode-specific temperatures T(j) and calculates the frequencies from a "generalized virial" (GV) expression instead from PMA. Concerning ways to additionally remove the remaining errors, which GV still shares with PMA, we refer to Paper II of this work [M. Schmitz and P. Tavan, J. Chem. Phys. 121, 12247 (2004)].