gebhart/patrepeval huggingface dataset:
Effect of the damping function in dispersion corrected density functional theory (2011)

It is shown by an extensive benchmark on molecular energy data that the mathematical form of the damping function in DFT-D methods has only a minor impact on the quality of the results. For 12 different functionals, a standard "zero-damping" formula and rational damping to finite values for small interatomic distances according to Becke and Johnson (BJ-damping) has been tested. The same (DFT-D3) scheme for the computation of the dispersion coefficients is used. The BJ-damping requires one fit parameter more for each functional (three instead of two) but has the advantage of avoiding repulsive interatomic forces at shorter distances. With BJ-damping better results for nonbonded distances and more clear effects of intramolecular dispersion in four representative molecular structures are found. For the noncovalently-bonded structures in the S22 set, both schemes lead to very similar intermolecular distances. For noncovalent interaction energies BJ-damping performs slightly better but both variants can be recommended in general. The exception to this is Hartree-Fock that can be recommended only in the BJ-variant and which is then close to the accuracy of corrected GGAs for non-covalent interactions. According to the thermodynamic benchmarks BJ-damping is more accurate especially for medium-range electron correlation problems and only small and practically insignificant double-counting effects are observed. It seems to provide a physically correct short-range behavior of correlation/dispersion even with unmodified standard functionals. In any case, the differences between the two methods are much smaller than the overall dispersion effect and often also smaller than the influence of the underlying density functional.
Battery-Free Eye Tracker on Glasses (2018)

This paper presents a battery-free wearable eye tracker that tracks both the 2D position and diameter of a pupil based on its light absorption property. With a few near-infrared (NIR) lights and photodiodes around the eye, NIR lights sequentially illuminate the eye from various directions while photodiodes sense spatial patterns of reflected light, which are used to infer pupil's position and diameter on the fly via a lightweight inference algorithm. The system also exploits characteristics of different eye movement stages and adjusts its sensing and computation accordingly for further energy savings. A prototype is built with off-the-shelf hardware components and integrated into a regular pair of glasses. Experiments with 22 participants show that the system achieves 0.8-mm mean error in tracking pupil position (2.3 mm at the 95th percentile) and 0.3-mm mean error in tracking pupil diameter (0.9 mm at the 95th percentile) at 120-Hz output frame rate, consuming 395 µW mean power supplied by two small, thin solar cells on glasses side arms.
Photoelectron Spectroscopy Study of the Electronic Structures of Poly(p-phenylenevinylene) Derivatives (1999)

side chains. The results of the XPS peak-shape analyses for the C-C, the C-O, and the C-N bonds were consistent with the values deduced from the chemical formula and the tabulated peak-position shifts. The locations of the energy levels relevant to organic light-emitting device (OLED) applications of these materials were obtained from UPS spectra and were compared with the results of the OLED performance parameters. The values of ionization potential correlated well with the eld strengths for the onset of luminescence. However, the eciency of the devices did not follow the trends of electron anity. The implications of these results, as well as other factors governing the eciencies of OLEDs, are discussed.
Using an SU-8 Photoresist Structure and Cytochrome C Thin Film Sensing Material for a Microbolometer (2012)

There are two critical parameters for microbolometers: the temperature coefficient of resistance (TCR) of the sensing material, and the thermal conductance of the insulation structure. Cytochrome c protein, having a high TCR, is a good candidate for infrared detection. We can use SU-8 photoresist for the thermal insulation structure, given its low thermal conductance. In this study, we designed a platform structure based on a SU-8 photoresist. We fabricated an infrared sensing pixel and recorded a high TCR for this new structure. The SU-8 photoresist insulation structure was fabricated using the exposure dose method. We experimentally demonstrated high values of TCR from 22%/K to 25.7%/K, and the measured noise was 1.2 × 10(-8) V2/Hz at 60 Hz. When the bias current was 2 μA, the calculated voltage responsivity was 1.16 × 10(5) V/W. This study presents a new kind of microbolometer based on cytochrome c protein on top of an SU-8 photoresist platform that does not require expensive vacuum deposition equipment.
<i>Salmonella</i> Overcomes Drug Resistance in Tumor through P-glycoprotein Downregulation (2018)

Chemotherapy is one of effective methods for the treatment of tumor. Patients often develop drug resistance after chemotherapic cycles. <i>Salmonella</i> has potential as antitumor agent. <i>Salmonella</i> used in tandem with chemotherapy had additive effects, providing a rationale for using tumor-targeting <i>Salmonella</i> in combination with conventional chemotherapy. To improve the efficacy and safety of <i>Salmonella</i>, a further understanding of <i>Salmonella</i> interactions with the tumor microenvironment is required. The presence of plasma membrane multidrug resistance protein P-glycoprotein (P-gp) is highly relevant for the success of chemotherapy. Following <i>Salmonella</i> infection, dose-dependent downregulation of P-gp expressions were examined. <i>Salmonella</i> significantly decreased the efflux capabilities of P-gp, as based on the influx of Rhodamine 123 assay. In addition, <i>Salmonella</i> significant reduced the protein express the expression levels of phosph-protein kinase B (P-AKT), phosph-mammalian targets of rapamycin (P-mTOR), and phosph-p70 ribosomal s6 kinase (P-p70s6K) in tumor cells. The <i>Salmonella</i>-induced downregulation of P-gp was rescued by transfection of cells with active P-AKT. Our results demonstrate that <i>Salmonella</i> in tumor sites leads to decrease the expression of P-gp and enhances the combination of <i>Salmonell</i>a and 5-Fluorouracil therapeutic effects.
Disambiguation of TDOA Estimation for Multiple Sources in Reverberant Environments (2008)

This paper presents a novel approach to estimate the time difference of arrival (TDOA) for multiple sources in reverberant environments. It resolves ambiguities in TDOA estimation caused by multipath propagation and multiple sources. By exploiting two TDOA constraints, the raster condition and the zero cyclic sum condition, we are able to identify and reject the echo path TDOAs and to assign the direct path TDOAs correctly to different sources. For the latter purpose, an efficient algorithm for the synthesis of approximately consistent TDOA graphs has been developed. A real experiment demonstrates the superior performance of our algorithms.
Review on electrodepositable photoresists and their possible ways to use them with laser direct imaging (2003)

In the last about ten years a new trend made itself to foreground. This trend is to use polymers and sensitizers from which electrodepositable (ED) photoresist can be made. While the laminated dry film photoresists are highly thicker than 1 mil, an electrodeposited polymer coating is thinner than 1 mil. This parameter allows us to make extremely narrow tracks without short circuits or break of continuity. Moreover the ED resists can coat three dimensional substrates. These two advantages are the main reason to use ED resists in the future, as an alternative way beside dry film resists. The poster is made to be as a review on the present day works in the area of ED resists. The usable photosensitizers and polymers will be shown as they behave in the photoreactions. Also the ED resist creating method, the advantages and disadvantages will be presented.
Economics of a unified transportation trust fund (1979)

The pricing and investment rules appropriate to a unified transportation trust fund (UTTF) are described. It is possible to envisage a UTTF that would collect revenues that broadly reflect economic user charges in the transport sector and use the revenues to provide any element of transport infrastructure that is likely to be profitable in the financial sense. However, if the recommended pricing and investment rules were followed, there would be no obvious advantage of a UTTF over the existing methods. On the other hand, a UTTF not bound by strict investment and pricing criteria would have considerable potential for the misallocation of scarce resources. There seems to be a stronger case for the adoption of investment standards or criteria for publicly financed projects than for the establishment of a UTTF. 13 references.
HOP BREEDING WORLDWIDE-ITS AIMS AND ACHIEVEMENTS (1986)

The principal objectives of breeding programmes throughout the world are identified as the production of either high alpha-acid or aroma types combined with resistance to the major pests and diseases. In some countries a further problem has been physiological adaptation to the environment while a recent project is the development of dwarf hops. One technique used to achieve these ends has been the use of triploidy. The overall effect of these efforts has been to reduce the area of hops needed to produce brewers' requirements.
Novel Cellular System Design using Standalone and Centralized mmWave-based Multi-Spot Beam Structure (2015)

This paper presents new mmWave-based cellular system as one of means to achieve the capacity requirement of 5G mobile communications. The base station of new system covers its service area with spot beams formed by many beamforming antennas, and one beam can be composed of multiple frequency allocation beam component carriers in which one broadband bandwidth is divided into multiple sub-bands at the millimeter frequency. The best feature of new cellular architecture is the multi-layered FA dynamic cell configuration and it means that one or more beam component carrier(s) can be grouped and then operated as one cell. The effect of this dynamic cell configuration is to avoid interference among cells via the association among multi-layered FAs and to imitate pseudo-small cells and pseudo-macro cell like 3GPP small cell enhancement architecture (user equipment in small cell enhancement architecture can use coverage layer (macro cell(s)) for mobility robustness and capacity layer (small cells) for capacity offering). In this paper, we design new system, its basic operation and evaluate its capacity to confirm the possibility as an alternative of 5G mobile communications.
Agent-based distributed manufacturing process planning and scheduling: a state-of-the-art survey (2006)

Manufacturing process planning is the process of selecting and sequencing manufacturing processes such that they achieve one or more goals and satisfy a set of domain constraints. Manufacturing scheduling is the process of selecting a process plan and assigning manufacturing resources for specific time periods to the set of manufacturing processes in the plan. It is, in fact, an optimization process by which limited manufacturing resources are allocated over time among parallel and sequential activities. Manufacturing process planning and scheduling are usually considered to be two separate and distinct phases. Traditional optimization approaches to these problems do not consider the constraints of both domains simultaneously and result in suboptimal solutions. Without considering real-time machine workloads and shop floor dynamics, process plans may become suboptimal or even invalid at the time of execution. Therefore, there is a need for the integration of manufacturing process-planning and scheduling systems for generating more realistic and effective plans. After describing the complexity of the manufacturing process-planning and scheduling problems, this paper reviews the research literature on manufacturing process planning, scheduling as well as their integration, particularly on agent-based approaches to these difficult problems. Major issues in these research areas are discussed, and research opportunities and challenges are identified.
Comparison of commercial diagnostic tests for identification of serogroup antigens of Neisseria meningitidis (1995)

In the study that is described the sensitivities and specificities of three commercial tests and the standard Reference Laboratory test, used since 1961, to identify Neisseria meningitidis serogroups were compared. The tests marketed by Difco, Murex/Wellcome, and Sanofi/Pasteur showed overall sensitivities of 92, 95, and 100%, respectively, and specificities of 67, 88, and 82%, respectively. When limited to the common serogroups A, B, and C, the three tests yielded sensitivities of 93, 97, and 100%, respectively, and specificities of 98, 100, and 98%, respectively. However, determination of the uncommon serogroups X, W-135, Y, Z, and 29E with these tests is either unreliable or not possible.
The effects of non-selective and cyclooxygenase-2-selective non-steroidal anti-inflammatory drugs on heterotopic ossification in rats. (2005)

The results of this study suggest that no form of non-steroidal anti-inflammatory drug has inhibitory effects on heterotopic bone formation in rats. In our opinion, bone formation is a quite complex process that requires several events and is regulated by several factors, so further investigations other than those using non-steroidal anti-inflammatory drugs are required.
Relaxation response of polymers containing highly flexible side groups monitored by broadband dielectric spectroscopy (2005)

The relaxation behavior of poly(5-acryloxymethyl-5-methyl-1,3-dioxacyclohexane), a polymer containing highly flexible side groups, is studied by broadband dielectric spectroscopy in the frequency and temperature ranges 10(-1)-10(9) Hz and 123-473 K, respectively. Above the glass transition temperature T(g) the dielectric loss in the frequency domain exhibits a prominent alpha absorption, followed in increasing order of frequencies by two secondary absorptions called beta and gamma. At temperatures slightly higher than T(g), the a relaxation is well separated from the beta, but as temperature increases overlapping between both relaxations augments forming an alphabeta absorption in the vicinity of 420 K. This latter absorption displays a shoulder on its high-frequency side corresponding to the y relaxation. The strength of the a relaxation decreases with increasing temperature, eventually vanishing at the temperature at which the alphabeta absorption is formed. The time retardation spectra of the isotherms are calculated and further used to facilitate the deconvolution of the overlapping relaxations. The fact that the temperature dependence of the beta relaxation also describes that of the alphabeta absorption suggests that both relaxations have the same nature. It seems that as temperature increases, the a relaxation feeds on the beta absorption until its complete disappearance. The gamma relaxation, in turn, seems to increase at the expense of the alphabeta process at high temperature.
Detection of human immunodeficiency virus type 1 (HIV-1) DNA and RNA sequences in HIV-1 antibody-positive blood donors in Uganda by the Roche AMPLICOR assay (1997)

The ability of commercially available PCR-based assays to accurately detect or quantitate human immunodeficiency virus type 1 (HIV-1) DNA or RNA in individuals predominantly infected with HIV-1 subtypes A and D is not known. Therefore, peripheral leukocytes from 43 individuals in Kampala, Uganda, positive for HIV by the Western blot (immunoblot) assay were tested by using the Roche AMPLICOR HIV-1 assay for the detection of DNA gag sequences. Plasma from these same individuals was tested by using the Roche HIV-1 AMPLICOR MONITOR HIV-1 assay for the quantitation of HIV-1 RNA gag sequences. In addition, peripheral leukocytes were tested for HIV-1 DNA by using a lower annealing temperature or a different primer pair for the HIV-1 pol region. The proportions of individuals with detectable HIV-1 DNA and RNA gag sequences by the Roche assays were 74 and 90%, respectively. The proportions positive for HIV-1 DNA sequences by using a 50 degrees C annealing temperature or the pol primer pair were 71 and 98%, respectively. In summary, the standard Roche assay did not detect HIV-1 DNA sequences in a significant number of HIV-1-infected individuals in Uganda. However, use of a pol primer pair increased the sensitivity of the assay to 98%. The sensitivity of the Roche AMPLICOR MONITOR assay for the detection and quantitation of HIV-1 RNA sequences was significantly higher than that of the DNA-based assay, but the efficiency of the assay, and hence, the accuracy of the values obtained with RNA, is not known. Modifications to existing assays are needed to enhance the sensitivities and accuracies of these commercially available assays for use in developing countries where non-B HIV-1 subtypes predominate.
Immunopathogenesis of chronic inflammatory bowel disease (1994)

The aetiology and pathogenesis of chronic inflammatory bowel disease are unknown. However, there is circumstantial evidence that immune mechanisms may play a significant role in mediating the gut lesion and various systemic manifestations. The role of the cellular immune system, soluble mediators, including proinflammatory and immunoregulatory cytokines, humoral immunity and mucosal complement activation will be discussed.
High affinity nucleic acid aptamers for streptavidin incorporated into bi-specific capture ligands (2002)

We have isolated 2'-Fluoro-substituted RNA aptamers that bind to streptavidin (SA) with an affinity around 7 +/- 1.8 nM, comparable with that of recently described peptide aptamers. Binding to SA was not prevented by prior saturation with biotin, enabling nucleic acid aptamers to form useful ternary complexes. Mutagenesis, secondary structure analysis, ribonuclease footprinting and deletion analysis provided evidence for the essential structural features of SA-binding aptamers. In order to provide a general method for the exploitation of these aptamers, we produced derivatives in which they were fused to the naturally structured RNA elements, CopT or CopA. In parallel, we produced derivatives of CD4-binding aptamers fused to the complementary CopA or CopT elements. When mixed, these two chimeric aptamers rapidly hybridized, by virtue of CopA-CopT complementarity, to form stable, bi-functional aptamers that we called 'adaptamers'. We show that a CD4-SA-binding adaptamer can be used to capture CD4 onto a SA-derivatized surface, illustrating their general utility as indirect affinity ligands.
Predicting and preventing relapse of depression in primary care (2020)

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Plant Growth Regulator and Mowing Height Effects on Seasonal Root Growth of Penncross Creeping Bentgrass (2001)

Summer decline of creeping bentgrass [ Agrostis palustris Huds. (= Agrostis stolonifera var. palustris (Huds.) Farw.] root growth is an annual concern in many regions of the USA. A 2‐yr field study was conducted to investigate the effects of mowing height and plant growth regulator (PGR) treatments on root biomass (RB) patterns in ‘Penncross’ creeping bentgrass, grown on a Wakulla sand (sandy, siliceous, Thermic Psammentic Hapludults) with 94% sand, 4% silt, 2% clay, 24 mg g −1 organic matter, and a pH of 6.1. Plots were maintained at 3.2, 4.0, or 4.8 mm throughout the experiment. Plant growth regulator treatments were trinexapac‐ethyl, [4‐(cyclopropyl‐α‐hydroxymethylene)‐3,5‐dioxo‐cyclohexane carboxylic acid ethyl ester] applied at 0.05 kg a.i. ha −1 and paclobutrazol, {(±)‐(R*,R*)‐β‐[(4‐chloro‐phenyl)methyl]‐α‐(1,1‐dimethylethyl)‐1H‐1,2,4‐triazole‐1‐ethanol} applied at 0.14, 0.28, or 0.56 kg a.i. ha −1 Plant growth regulator treatments initially were applied in April 1997 and were reapplied monthly for 24 mo. Annual variation in air and soil temperature accounted for variable RB across years. Root biomass declined 76% from a May maximum to a minimum in September; however, RB increased between September and January. Turf mowed to a height of 3.2 mm consistently had lower RB than turf maintained at 4.0 or 4.8 mm, and had slower early autumn RB recovery. When averaged across mowing heights, only paclobutrazol (0.56 kg a.i. ha −1 ) reduced RB and no PGR increased rooting when compared with nontreated turf. From September to January of each year, a PGR by mowing height interaction showed that paclobutrazol applied at 0.56 kg a.i. ha −1 delayed RB recovery in turf mowed to a height of 4.8 mm, while no PGR delayed RB recovery in turf maintained at the 3.2 mm mowing height. Slower RB recovery in turf mowed to 3.2 mm following the September minimum RB was attributed to reductions in turf quality and density, rather than the effects of PGRs. Paclobutrazol only reduced Penncross RB when applied at twice the labeled rate and with greater application frequency than is typical for most PGR use patterns. These results showed that labeled rates of paclobutrazol and trinexapac‐ethyl did not adversely affect root growth under putting green conditions.
Prevention of food allergy – skin barrier interventions (2019)

The relationship between infant skin health and food allergy pathogenesis is the focus of intense research activity, on the basis that interventions to improve infant skin health may potentially lead to the prevention of food allergy. Current evidence does not provide conclusive findings on the mechanisms of food allergy development but does support the possibility that food allergy develops through transcutaneous sensitisation to allergenic peptides. In this article, we review the evidence for this model of food allergy development, assess strategies currently being tested for prevention of food allergy through cutaneous interventions, and identify key knowledge gaps which might be explored in future work.
The Effect of Brushing with a Toothpaste Containing Amyloglucosidase and Glucose Oxidase on Dental Caries in Rats (1979)

In a short-term animal test, 48 Osborne-Mendel rats were divided into three groups (one control, one placebo and one active), in which experimental toothpastes were applied 3 times weekly. Histological and statistical evaluation indicated the significant caries-reducing effect of the amyloglucosidase and glucose oxidase containing active toothpaste in comparison with the two others. These results confirm the effects found in other clinical investigations.