gebhart/patrepeval huggingface dataset:
Chemical Enhancement Effects in SERS Spectra:  A Quantum Chemical Study of Pyridine Interacting with Copper, Silver, Gold and Platinum Metals (2008)

Using density functional theory, we have studied the interactions between pyridine (Py) and coinage metals (silver, copper, and gold) as well as the transition metal platinum. We present here a detailed analysis of the influence of chemical enhancement effects on the SERS signals. We analyze the differential Raman scattering cross sections of the a1 vibrational modes related to Py. The results show that the relative Raman intensities of SERS spectra depend strongly on the binding interaction between Py and the SERS active centers, the electronic property of metal materials, and the incident wavelengths. When the bonding between Py and a SERS site is very weak, analogous to physical adsorption, the Raman spectra of the adsorbed Py are similar to that of free Py. For Py interacting strongly with copper, gold, and platinum clusters, we find that the Raman intensities of the v1, v6a, v9a, and v8a modes of Py are enhanced, whereas the intensity of the v12 mode decreases. To check the enhancement effect of the charge-transfer mechanism, we calculate the preresonance Raman spectra. For Py interacting with silver, copper, and gold clusters, the low-lying charge transfer states are formed from the valence shell s orbital of metal to the unoccupied π*-type orbitals (b1 and a2) of the Py ring; whereas for Py adsorbed on platinum clusters, the low-lying charge transfer states are formed due to the transitions from some d orbitals of the metal clusters to the two unoccupied π*-type orbitals of Py. The results show that the Raman spectral property depends strongly on the property of these excited states and the electronic structures of the metal materials.
Multiple Model Kalman Filtering for GPS and Low-cost INS Integration (2004)

GPS and Inertial Navigation Systems are used for positioning and attitude determination in a wide range of applications. The high cost of inertial components is the primary limitation of the proliferation of such technology into a broader range of applications. Current low cost inertial sensors exhibit large errors which require constant calibration using GPS measurements. GPS and INS measurements are typically combined using a Kalman filter. The conventional Kalman filtering algorithm requires the definition of a dynamic and stochastic model. The dynamic model describes how the errors that are being modelled develop over time, whereas the stochastic model provides information about the noise of the sensors. These matrices are typically defined using a priori information obtained from the sensor specification provided by the manufacturer. However, particularly for low cost sensors, the definition of a priori statistics is unlikely to provide the best performance since the sensor errors are likely to vary temporally. In order to achieve the highest performance from the Kalman filter algorithm, it is desirable to estimate the process noise matrix for the INS on-line. This paper examines the use of Multiple Model Adaptive Estimation (MMAE) where multiple Kalman filters are run in parallel using different dynamic or stochastic models. The MMAE algorithm is used to select either a single ’best’ Kalman filter solution, or the algorithm can be used to combine the output from all of the Kalman filters into a single combined solution. The obvious limitation of such an approach is the large computational burden imposed by running multiple Kalman filters. However, with improved processor technology, such an approach can now be considered even for real-time applications. This paper demonstrates that the MMAE algorithm can provide a reduction in the time required to initially align the INS. The MMAE algorithm can also provide a reduction in the attitude errors experienced during typical navigation conditions.
Multiple view semantic segmentation for street view images (2009)

We propose a simple but powerful multi-view semantic segmentation framework for images captured by a camera mounted on a car driving along streets. In our approach, a pair-wise Markov Random Field (MRF) is laid out across multiple views. Both 2D and 3D features are extracted at a super-pixel level to train classifiers for the unary data terms of MRF. For smoothness terms, our approach makes use of color differences in the same image to identify accurate segmentation boundaries, and dense pixel-to-pixel correspondences to enforce consistency across different views. To speed up training and to improve the recognition quality, our approach adaptively selects the most similar training data for each scene from the label pool. Furthermore, we also propose a powerful approach within the same framework to enable large-scale labeling in both the 3D space and 2D images. We demonstrate our approach on more than 10,000 images from Google Maps Street View.
Using sequence logos and information analysis of Lrp DNA binding sites to investigate discrepancies between natural selection and SELEX (1999)

In vitro experiments that characterize DNA-protein interactions by artificial selection, such as SELEX,are often performed with the assumption that the experimental conditions are equivalent to natural ones. To test whether SELEX gives natural results, we compared sequence logos composed from naturally occurring leucine-responsive regulatory protein (Lrp) binding sites with those composed from SELEX-generated binding sites. The sequence logos were significantly different, indicating that the binding conditions are disparate. A likely explanation is that the SELEX experiment selected for a dimeric or trimeric Lrp complex bound to DNA. In contrast, natural sites appear to be bound by a monomer. This discrepancy suggests that in vitro selections do not necessarily give binding site sets comparable with the natural binding sites.
Alzheimerʼs disease may not be a spirochetosis (1999)

It has been reported previously that spirochetes could be one of the causes of Alzheimer's disease (AD). In this study, we have attempted to reproduce these findings by examining fresh blood samples from 22 patients diagnosed with early stage (n = 16) and late stage (n = 6) AD. The patients were participants in a clinical drug trial. Fresh necropsy brain cortical specimens from AD patients (n = 7) were also examined. Spirochetes were observed microscopically in the blood of only one late-stage AD patient. None of the brain tissues showed the presence of spirochetes. Our results suggest that spirochetes are probably not associated with AD.
Spot-diffusing and fly-eye receivers for indoor infrared wireless communications (2003)

A new configuration featured as using spot-diffusing, multiple line-of-sights and fly-eye receivers is proposed for indoor optical wireless communications. Design issues such as suitable light sources, power budget, ambient light interference and fly-eye design are discussed based on simple geometric models. An experiment is conducted to demonstrate the feasibility of the spot diffusing concept.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Choleretic effect of structural analogs of valproic acid in the rat. (1983)

A comparison of structure-choleretic activity relationship has been made for several branched- and straight-chain carboxylic acids including valproic acid. Cumulative bile flow was 13.8, 23.8, 29.4 and 14.9 ml/4hr/kg body weight for dimethyl-, diethyl-, dipropyl- (valproic acid), and dibutyl-acetic acid, respectively, after iv administration of approximately equimolar doses (1100 mumoles/kg). Except for dibutylacetic acid, maximal bile flow increased from control rates of 50-60 to 120-140 microliters/min/kg. Administration of higher doses of 2,2-dimethylbutanoic acid and 2-ethylbutanoic acid did not increase maximal bile flow above 125-140 microliters/min/kg but did prolong the duration of choleresis. Maximal and cumulative bile flows increased with length of carboxylic acid chain for 2,2-dimethyl substituted acids (2,2-dimethylacetic acid to 2,2-dimethylbutanoic acid). If the two methyl groups were on C-3 (3-methylbutanoic acid), no change in bile flow was observed. Straight-chain acids from C-5 to C-11 and pent-4-enoic acid did not alter bile flow. Thus, the effectiveness of several branched-chain carboxylic acids as choleretics parallel their ability as anticonvulsants. In contrast, the straight-chain acids which cause central nervous system depression have no choleretic activity.
Serious Infections Caused by Methicillin‐ResistantStaphylococcus aureus (2010)

Although first identified just >4 decades ago, methicillin-resistant Staphylococcus aureus (MRSA) has undergone rapid evolutionary changes and epidemiologic expansion to become a major cause of nosocomial and community-acquired infections worldwide. Increasing resistance to vancomycin among MRSA strains in conjunction with availability of new antibiotics, including daptomycin and linezolid, have increased treatment choices but made clinical treatment decisions more challenging. This article describes the clinical features and management issues of 2 challenging-to-treat manifestations of MRSA infection, bacteremia and/or endocarditis and osteomyelitis. It also presents a brief review of community-associated MRSA infections and preventive strategies directed against MRSA.
[Construction and immune potency of recombinant adenovirus containing codon-modified HIV-1 gp120]. (2004)

Replication-deficient recombinant adenovirus expressing HIV-1 gp120 can elicit HIV-1 specific humoral and cellular response, the codon-modified recombinant virus was more efficient than the native.
Conformational switching of single 1,5-cyclooctadiene molecules on Si(001) induced by inelastic electron tunneling (2008)

A scanning tunneling microscope operated at $7\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ is used to excite and probe the reversible switching of single 1,5-cyclooctadiene (COD) molecules on Si(001). Two different adsorption states are identified and attributed to the upright structure with only one $\mathrm{C}\mathrm{C}$ bond involved in the adsorption process and the bridge structure with both $\mathrm{C}\mathrm{C}$ bonds reacting with the Si surface. Time spectroscopy of the tunnel current with the tip positioned over the molecule in the bridge structure reveals a dynamic switching between two degenerate conformations, which is triggered by the vertical charge transport. In contrast, COD adsorbed in the upright structure gives rise to a binary switching response with an enhanced quantum yield and on-off ratio, along with nonequivalent current level mean residence times.
Interaction of Cardiotonic Thiadiazinone Derivatives with Cardiac Troponin C (1996)

The cardiotonic effects of thiadiazinone derivative EMD 57033 are mediated by direct actions on myofilaments (Lues, I., Beier, N., Jonas, R., Klockow, M., and Haeusler, G. J. (1993) Cardiovasc. Pharmacol. 21, 883-892). Cardiac troponin C has been postulated to be a potential target of the drug (White, J., Lee, J. A., Shah, N., and Orchard, C. H. (1993) Circ. Res. 73, 61-70). This study tested whether EMD 57033 interacts directly with recombinant human cardiac TnC (hcTnC). EMD 57033 caused concentration-dependent quenching of tyrosine (Tyr) fluorescence of hcTnC in the presence of Ca2+ (100 microM) and little change of the fluorescence in the presence of Mg2+ (2 mM). Kd for the drug-hcTnC interaction in the presence of Ca2+, determined by Tyr fluorescence titrations, was approximately 40 microM. The binding of EMD 57033 was stereo-selective: the optical isomer of EMD 57033 bound hcTnC much more weakly. The Ca2+ dependence and stereo-selectivity of EMD 57033 binding were substantiated by a dialysis-based direct binding assay. EMD 57033 was found to interfere with Ca(2+)-dependent binding of hydrophobic probe 1,1'-bi-(4-anili-no)naphthalene-5,5'-disulfonate (bis-ANS) to hcTnC. The relationships between [Ca2+] and Tyr fluorescence of hcTnC and between [Ca2+] and bis-ANS fluorescence in the presence of hcTnC were substantially altered by EMD 57033 in the range of [Ca2+] where Ca2+/Mg2+ sites of hcTnC were titrated by Ca2+. EMD 57033 was found to bind as tightly to 2 Ca2+.hcTnC as to 3 Ca(2+).hcTnC. These observations were interpreted as indicating that a EMD 57033-binding site is induced by Ca2+ binding, but not Mg2+ binding, to the Ca2+/Mg2+ sites of hcTnC. The drug-binding site most likely resides in the carboxyl domain of hcTnC.
Increased populations of regulatory T cells in peripheral blood and tumor-infiltrating lymphocytes in patients with gastric and esophageal cancers. (2003)

The populations of CD4+/CD25+ T-regs in peripheral blood and TILs in patients with gastric and esophageal cancers were significantly higher in comparison with those in healthy donors or normal mucosa.
A secondary phosphorylation of CREB341 at Ser129 is required for the cAMP-mediated control of gene expression. A role for glycogen synthase kinase-3 in the control of gene expression. (1994)

The cAMP-dependent protein kinase (PKA) phosphorylates CREB327/341 at a single serine residue, Ser119/133, respectively. Phosphorylation at this site creates the sequence motif SXXXS(P), a consensus site of the glycogen synthase kinase-3 (GSK-3) enzyme (Fiol, C.J., Mahrenholz, A.M., Wang, Y., Roeske, R.W., and Roach, P.J. (1987) J. Biol. Chem. 262, 14042-14048). We examined the phosphorylation of CREB at the SXXXS(P) consensus site and its role in CREB transactivation to cAMP induction. Neither isoform of the GSK-3 enzyme (GSK-3 alpha or beta) utilizes CREB as its substrate unless CREB is already phosphorylated at Ser119/133. A 13-amino acid peptide containing the sequence surrounding Ser119/133 was phosphorylated by GSK-3, at Ser115/129, only after the primary phosphorylation of the peptide by PKA (at Ser119/133), suggesting that Ser115/129 is a GSK-3 phosphoacceptor site. Mutant CREB327/341 proteins containing Ser-->Ala substitutions confirmed Ser115/129 as the only GSK-3 phosphorylation site. Transfection assays of wild type and mutant Gal4-CREB fusion proteins in PC12 cells demonstrated that Ser-->Ala substitution of residue 129 of CREB341 impairs the transcriptional response to cAMP induction. Analogous mutation in CREB327 results in 70% decrease in its transactivation response to cAMP. In undifferentiated F9 cells, which are refractory to cAMP induction, transfected GSK-3 beta kinase induces a 60-fold increase in cyclic AMP response element-dependent transcription, mediated via the endogenous CREB protein. We propose that the hierarchical phosphorylation at the PKA and GSK-3 sites of CREB are essential for cAMP control of CREB.
Spatial Localization in NMR Spectroscopy in Vivo (1987)

Spatial localization techniques are necessary for in vivo NMR spectroscopy involving heterogeneous organisms. Localization by surface coil NMR detection alone is generally inadequate for deep-lying organs due to contaminating signals from intervening surface tissues. However, localization to preselected planar volumes can be accomplished using a single selective excitation pulse in the presence of a pulsed magnetic field gradient, yielding depth-resolved surface coil spectra (DRESS). Within selected planes, DRESS are spatially restricted by the surface coil sensitivity profiles to disk-shaped volumes whose radii increase with depth, notwithstanding variations in the NMR signal density distribution. Nevertheless, DRESS is a simple and versatile localization procedure that is readily adaptable to spectral relaxation time measurements by adding inversion or spin-echo refocusing pulses or to in vivo solvent-suppressed spectroscopy of proton (1H) metabolites using a combination of chemical-selective RF pulses. Also, the spatial information gathering efficiency of the technique can be improved to provide simultaneous acquisition of spectra from multiple volumes by interleaving excitation of adjacent planes within the normal relaxation recovery period. The spatial selectivity can be improved by adding additional selective excitation spin-echo refocusing pulses to achieve full, three-dimensional point resolved spectroscopy (PRESS) in a single excitation sequence. Alternatively, for samples with short spin-spin relaxation times, DRESS can be combined with other localization schemes, such as image-selected in vivo spectroscopy (ISIS), to provide complete gradient controlled three-dimensional localization with a reduced number of sequence cycles.
Quantum process tomography of two-qubit controlled-Z and controlled-NOT gates using superconducting phase qubits (2010)

We experimentally demonstrate quantum process tomography of controlled-Z and controlled-NOT gates using capacitively coupled superconducting phase qubits. These gates are realized by using the $|2⟩$ state of the phase qubit. We obtain a process fidelity of 0.70 for the controlled phase and 0.56 for the controlled-NOT gate, with the loss of fidelity mostly due to single-qubit decoherence. The controlled-Z gate is also used to demonstrate a two-qubit Deutsch-Jozsa algorithm with a single function query.
Synthesis of nano-scale fast ion conducting cubic Li7La3Zr2O12 (2013)

A solution-based process was investigated for synthesizing cubic Li7La3Zr2O12 (LLZO), which is known to exhibit the unprecedented combination of fast ionic conductivity, and stability in air and against Li. Sol-gel chemistry was developed to prepare solid metal-oxide networks consisting of 10 nm cross-links that formed the cubic LLZO phase at 600 ° C. Sol-gel LLZO powders were sintered into 96% dense pellets using an induction hot press that applied pressure while heating. After sintering, the average LLZO grain size was 260 nm, which is 13 times smaller compared to LLZO prepared using a solid-state technique. The total ionic conductivity was 0.4 mS cm(-1) at 298 K, which is the same as solid-state synthesized LLZO. Interestingly, despite the same room temperature conductivity, the sol-gel LLZO total activation energy is 0.41 eV, which 1.6 times higher than that observed in solid-state LLZO (0.26 eV). We believe the nano-scale grain boundaries give rise to unique transport phenomena that are more sensitive to temperature when compared to the conventional solid-state LLZO.
Programming with XView (1998)

This article gives you a high-level introduction to programming with XView, a GUI toolkit that complements the OpenLook interface
Recruitment of intra‐ and extracardiac cells into the myocardial lineage during mouse development (2003)

The tubular heart differentiates from the bilateral cardiac fields in the splanchnic mesoderm. The expression of smooth muscle proteins has been shown to accompany the early phases of cardiac muscle formation. In this study we show that during elongation of the arterial pole of the mouse linear heart tube, alpha-smooth muscle actin (alpha-Sma) expression extends in the area that has been shown to become recruited into the myocardial lineage, but does not yet express myocardial markers. These data suggest that alpha-Sma identifies mesodermal cells that during subsequent development will be recruited into the myocardial lineage. Myocardium formation is not only observed at the arterial pole, but also at the venous pole and in the intracardiac mesenchyme. This results in the formation of the caval and pulmonary myocardium, the smooth-walled atrial myocardium, the myocardial atrioventricular septum, and the myocardial outlet septum. To determine whether recruitment into the myocardial lineage also takes place in these regions, the spatiotemporal pattern of expression of alpha-Sma and of the myocardial markers sarcoplasmatic reticulum calcium ATPase (Serca2a), alpha-myosin heavy chain (Mhc), and beta-Mhc were examined. We show that prior to the expression of myocardial markers, alpha-Sma is expressed in these regions, which suggests that these mesodermal cells become recruited into the cardiac lineage after formation of the linear heart tube.
High Q inductors on ultra thin organic substrates (2008)

One of the chief components in a RF/microwave circuit is the inductor. The performance of the inductor affects the performance of widely used circuits such as the voltage controlled oscillator (VCO), low noise amplifier, and filter in the RF front end. It is very important to design inductors for accurate values of inductances and sufficiently high quality factors for these microwave applications. A key challenge in achieving high unloaded Q for an inductor in a thin substrate is the ground separation. This thesis aims at addressing this issue and achieving high unloaded Q's in the range 150 - 200 for a ground separation of about 100 - 140 microns in the frequency range of 1 - 15 GHz. One port and inductors will be designed using Electromagnetic field solvers. Various topologies will be explored for 2D and 3D inductors with the aim of achieving the desired inductance density and Q parameters in a minimum area possible. In order to address the issue of ground separation, design modifications will include the use of patterned grounds to take advantage of the reduced parasitic capacitive coupling which enables a high Q factor. The objective of the thesis also includes demonstration of the usefulness of these high quality inductors in RF front ends. To this effect, proof of concept designs of LC band pass filters will be presented. To enable this design, capacitors will also be designed. An extensive library of the designed inductors will be presented as a part of the thesis.&#13;\nThe designed components will be fabricated at the Packaging Research Center (PRC), Georgia Tech using organic substrate compatible processes. High frequency measurements will be made with the Vector Network Analyzer (VNA) along with suitable de - embedding to demonstrate the correlation between designed and fabricated results. Following this, circuit models will be built for the characterized inductors.
Effect of indistinguishable nuclei on product rotational distributions: The H+HI→H2+I reaction (1989)

Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter Facebook Reddit LinkedIn Tools Icon Tools Reprints and Permissions Cite Icon Cite Search Site Citation Dahv A. V. Kliner, Klaus‐Dieter Rinnen, Richard N. Zare; Effect of indistinguishable nuclei on product rotational distributions: The H+HI→H2+I reaction. J. Chem. Phys. 15 April 1989; 90 (8): 4625–4627. https://doi.org/10.1063/1.456601 Download citation file: Ris (Zotero) Reference Manager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentAIP Publishing PortfolioThe Journal of Chemical Physics Search Advanced Search |Citation Search
Development of Glassy Step‐Growth Thiol‐Vinyl Sulfone Polymer Networks (2014)

Thermomechanical properties of neat phosphine-catalyzed thiol-Michael networks fabricated in a controlled manner are reported, and a comparison between thiol-acrylate and thiol-vinyl sulfone step-growth networks is performed. When highly reactive vinyl sulfone monomers are used as Michael acceptors, glassy polymer networks are obtained with glass transition temperatures ranging from 30 to 80 °C. Also, the effect of side-chain functionality on the mechanical properties of thiol-vinyl sulfone networks is investigated. It is found that the inclusion of thiourethane functionalities, aryl structures, and most importantly the elimination of interchain ester linkages in the networks significantly elevate the network's glass transition temperature as compared with neat ester-based thiol-Michael networks.