gebhart/patrepeval huggingface dataset:
Nearly no Scoring Function Without a Hansch‐Analysis (2012)

Corwin Hansch is well-known as the father, inventor, and promoter of quantitative structure-activity relationships. Usually, QSAR is seen as a ligand-based design method correlating molecular structure or property descriptors to biological activity. QSAR is seldom mentioned in relation to structure-based approaches, although it is the centerpiece of nearly every empirical scoring function. QSAR techniques are applied on various levels, from the fitting of scoring terms to biological affinity data in empirical scoring functions up to the fine-tuning of individual aspects of protein-ligand interactions. In the following, we report on current findings for our scoring approach HYDE, which are based upon both the idea of QSAR and Hansch's historical logP data. We relate the molecular surface area of 594 diverse compounds to their experimental octanol/water partition coefficients aiming at new insights in hydrogen bonding and dehydration energies of solutes. Donors and acceptors which are far from each other contribute with nearly constant increments to the logP value. The solubility in the aqueous phase is however not increased with the number of hydrogen bonds a polar group is able to form. Although signs are found that these facts have been known for many years, they have implications for modern scoring function design.
Macrostructure Control and Magnetic Property of Rare-earth Magnet Pr-Fe-B Alloy Ingot (1996)

In order to produce the high quality rare-earth magnet, macrostructure control of Pr-Fe-B alloy ingot was carried out. Production method of this allov consists of melting, casting, hot rolling and heat treatment. The columnar structure of ingot is necessary to obtain the high magnetic properties. The columnar structure was produced by two kinds of method. One is thin plate casting and the other is directional solidification. By the thin plate casting sound and columnar structure ingot was produced. This alloy is cooled rapidly from the liquidus temperature to the peritectic temperoture and then cooled slowly below the peritectic temperature because this alloy is brittle. By this method the columnar structure was produced and the crack of this thin plate was protected.In order to decrease the production cost of ingot, 400kg large size ingot was produced by the directional solidification using the hot top heating. The temperature gradient in ingot was so increased by the hot top heating that the large part of ingot showed the columnar structure. The magnetic properties such as (BH) max and iHc were improved by the hot top heating.
Differential evaluation of continual queries (2002)

We define continual queries as a useful tool for monitoring of updated information. Continual queries are standing queries that monitor the source data and notify the users whenever new data matches the query. In addition to periodic refresh, continual queries include Epsilon Transaction concepts to allow users to specify query refresh based on the magnitude of updates. To support efficient processing of continual queries, we propose a differential re-evaluation algorithm (DRA), which exploits the structure and information contained in both the query expressions and the database update operations. The DRA design can be seen as a synthesis of previous research on differential files, incremental view maintenance, and active databases.
Flexible Bandwidth Reallocation MDFT SBC-FDFMUX Filter Bank for Future Bent-Pipe FDM Satellite Systems (2006)

Future bent-pipe FDM satellite systems [1,2,3,4] ask for a high flexibility concerning bandwidth-to-user assignment, which is achieved by merging several elementary channels (granules) to one wideband channel, as required by the users. For instance, a respective scenario is described in [5,6,7], where the requirements are most challenging for the
Let's talk together: Understanding concurrent transmission in wireless sensor networks (2013)

Wireless sensor networks (WSNs) are increasingly being applied to scenarios that simultaneously demand for high packet reliability and short delay. A promising technique to achieve this goal is concurrent transmission, i.e. multiple nodes transmit identical or different packets in parallel. Practical implementations of concurrent transmission exist, yet its performance is not well understood due to the lack of expressive models that accurately predict the success of packet reception. We experimentally investigate the two phenomena that can occur during concurrent transmission depending on the transmission timing and signal strength, i.e. constructive interference and capture effect. Equipped with the thorough understanding of these two phenomena, we propose an accurate prediction model for the reception of concurrent transmission. The extensive measurements carried out with varying number of transmitters, packet length and signal strength verify the excellent quality of our model, which provides a valuable tool for protocol design and simulation of concurrent transmission in WSNs.
No difference between extraction drilling and serial dilation for tibial tunnel preparation in anterior cruciate ligament reconstruction: a systematic review (2018)

IV:Systematic Review of Level I-IV studies.
Perspective of inline control of latent defects and diseases on french fries with multispectral imaging (2004)

In this paper, the feasibility is investigated to improve discrimination between different defect and diseases on raw French fries with multispectral imaging. Four different potato cultivars are selected from which French Fries are cut. Both multispectral images and RGB color images are classified with linear Bayes normal classifier and a support vector classifier. The effect of applying different preprocessing techniques on the spectra prior to classification was also investigated. The classification result are compared with both RGB images and the full spectra classification results. Experimental results indicate that the support vector classifier gives the best performance for both multispectral and RGB color images and is less preprocessing dependent. The multispectral image classification results outperform the RGB color classification results with a factor 15 at best. An explorative multispectral analysis also shows that latent defects can be detected with multispectral imaging, in contrast with traditional color imaging.
Correlation of Water Activation, Surface Properties, and Oxygen Reduction Reactivity of Supported Pt–M/C Bimetallic Electrocatalysts Using XAS (2005)

An analysis of X-ray absorption spectroscopy (XAS) data [X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS)] at the Pt edge for Pt–M bimetallic materials and at the Co edge for Pt–Co is reported for Pt–M/C electrodes in at different potentials. The XANES data are analyzed using the Δμ method, which utilizes the spectrum at some potential minus that at reversible hydrogen electrode (RHE) representing a reference spectrum. These Δμ data provide direct spectroscopic evidence for the inhibition of OH chemisorption on the cluster surface in the Pt–M. This OH chemisorption, decreasing in the direction , is directly correlated with the previously reported fuel cell performance (electrocatalytic activities) of these bimetallics, confirming the role of OH poisoning of Pt sites in fuel cells. EXAFS analysis shows that the prepared clusters studied have different morphologies, the Pt–Ni and Pt–Co clusters were more homogeneous with M atoms at the surface, while the Pt–Fe and Pt–Cr clusters had a "Pt skin." The cluster morphology determines which previously proposed OH inhibition mechanism dominates, the electronic mechanism in the presence of the Pt skin, or lateral interactions when M-OH groups exist on the surface.
High-resolution ultrasonic monitoring of cellular differentiation in an ex vivo produced oral mucosal equivalent (EVPOME) (2009)

Background, Motivation and Objective This study examines the use of high-resolution ultrasound to monitor an ex vivo produced oral mucosal equivalent (EVPOME) as it develops from oral keratinocytes being seeded on a dermal cadaveric scaffold, with surface variations, into a stratified uniform cellular layer. Ultrasonic profilometry should be able to detect filling and smoothing of surface irregularities as seeded cells proliferate. As these tissue-engineered structures develop, seeded cells stratify due to their differentiation in which they produce a keratinized protective upper layer. These cells change in shape and composition, lose water content, and accumulate proteins (keratins) transformations which could alter ultrasonic backscatter. If non-invasive ultrasonic monitoring could be developed then tissue cultivation could be adjusted in-process to account for variations in the development and manufacture of the stratified cellular layer. Statement of Contribution/Methods To create an EVPOME specimen, oral mucosa keratinocytes were dissociated from human oral tissue samples and then seeded onto a scaffold of acellular cadaveric dermis. EVPOME's were cultured submerged for 4 days to form a continuous epithelial monolayer and then raised to an air-liquid interface for another 7-10 days. At specific intervals (1, 2, 4, and 7 days) specimens were imaged with an ultrasound acoustic microscope that consists of a single-element transducer (61 MHz center frequency, 32 MHz bandwidth, 1.52 f#) with a three-axis stepper-motor-controlled positioning system. Lateral step size was 15 ?m, about half of the 37 ?m resolution. Ultrasonic images were created using confocal image reconstruction. Tissue surfaces were determined by thresholding the magnitude of the signal at the first axial incidence of a value safely above noise. Roughness was measured with root-mean-squared (rms) surface height. Echogenicity was measured using apparent integrated backscatter (AIBS) with respect to a fused silica flat. AIBS was calculated over bandwidth after gating the signal with a window centered at the specimen surface. Results There was no considerable change in measured roughness (20 to 22 ?m) from unseeded scaffold through day 4 after seeding. Between days 4 and 7 rms heights decreased from 22 ?m to 13 ?m. AIBS first changed between days 1 and 2 when it dropped from -30 dB to -41 dB. Echogenicity increased again from days 4 to 7 from -40 dB to -29 dB. Discussion and Conclusions Ultrasonic profilometry did not detect seeded cells filling in scaffold irregularities until cells had sufficiently stratified and differentiated by day 7. The initial drop in AIBS on day 2 may be due to undifferentiated seeded cells attenuating but not scattering ultrasound at that layer. More maturely differentiated cells, present at day 7, show brighter echogenicity possibly due to cellular changes. These initial results show that ultrasonic characterization may have potential to monitor EVPOME development during its manufacturing process.
Innate immune receptor NOD2 mediates LGR5 + intestinal stem cell protection against ROS cytotoxicity via mitophagy stimulation (2020)

The nucleotide-binding oligomerization domain-containing protein 2 (NOD2) agonist muramyl dipeptide (MDP), a peptidoglycan motif common to all bacteria, supports leucine-rich repeat-containing G protein-coupled receptor 5 (LGR5)<sup>+</sup> intestinal stem cell (ISC) survival through NOD2 activation upon an otherwise lethal oxidative stress-mediated signal. However, the underlying protective mechanisms remain unknown. Here, using irradiation as stressor and primarily murine-derived intestinal organoids as a model system, we show that MDP induced a significant reduction of total and mitochondrial reactive oxygen species (ROS) within ISCs, which was associated with mitophagy induction. ATG16L1 knockout (KO) and NOD2 KO organoids did not benefit from the MDP-induced cytoprotection. We confirmed the MDP-dependent induction of ISC mitophagy upon stress in vivo. These findings elucidate the NOD2-mediated mechanism of cytoprotection involving the clearance of the lethal excess of ROS molecules through mitophagy, triggered by the coordinated activation of NOD2 and ATG16L1 by a nuclear factor κB (NF-κB)-independent pathway.
Front Matter (2006)

Front matter pages come before the papers or chapters in a published work. Front matter includes the title page, copyright and notices page, and table of contents. It can also include a foreword, preface, or introduction; series information; lists of contributors, sponsors, or reviewers; lists of abbreviations and notations; and conversion tables.
Electron Spectroscopy for Chemical Analysis (2009)

This chapter contains sections titled: Overview X-ray Interaction with Matter, the Photoelectron Effect and Photoemission from Solids Binding Energy and the Chemical Shift Inelastic Mean Free Path and Sampling Depth Quantification Spectral Features Instrumentation Spectral Quality Depth Profiling X–Y Mapping and Imaging Chemical Derivatization Valence Band Perspectives Conclusions Acknowledgements References Problems
ANTAGONISM BY FENAMATES OF PROSTAGLANDIN ACTION IN GUINEA‐PIG AND HUMAN ALIMENTARY MUSCLE (1980)

1 Low concentrations of meclofenamate, flufenamate or mefenamate had little effect on contractions in response to acetylcholine in any tissue studied. 2 Sodium meclofenamate potently antagonized contractions of guinea-pig ileum longitudinal muscle to prostaglandin E2 (PGE2), PGF2 alpha or PGD2. 3 In guinea-pig colonic longitudinal muscle, contractions to PGE2 were reduced by sodium meclofenamate, but contractions of the longitudinal or circular muscle to PGF2 alpha or PGD2 were less effectively inhibited. 4 In human gastrointestinal longitudinal muscle, sodium meclofenamate or flufenamate potently inhibited contractions to PGF2 alpha, but not to PGE2. 5 Sodium mefenamate or mefenamic acid, even in high concentrations, had little effect on contractions to PGF2 alpha, but tended to inhibit PGE2-induced contractions of human gastrointestinal longitudinal muscle. 6 The therapeutic advantages of prostaglandin synthesis inhibitors which also antagonize responses to certain prostaglandins are discussed.
Synergy of climate change and local pressures on saltwater intrusion in coastal urban areas: effective adaptation for policy planning (2018)

This article examines the relative impacts of anthropogenic interventions and global climate change on the dynamics of saltwater intrusion in highly urbanized coastal aquifers. For this purpose, simulations of the impacts of sea-level rise and abstraction scenarios for the near future were undertaken for a pilot aquifer using a multi-objective 3D variable-density flow and solute transport model. We find that sea-level rise associated with climate change has less influence on the encroachment of salinity than anthropogenic abstraction, which has a more appreciable impact on saltwater intrusion through greater sensitivity to water consumption and seasonality.
How intelligence can change the course of evolution (2017)

The effect of phenotypic plasticity on evolution, the so-called Baldwin effect, has been studied extensively for more than 100 years. Plasticity is known to influence the speed of evolution towards a specific genetic configuration, but whether it also influences what that genetic configuration is, is still an open question. This question is investigated, in an environment where the distribution of resources follows seasonal cycles, both analytically and experimentally by means of an agent-based model of a foraging task. Individuals can either specialize to foraging only one specific resource type or generalize to foraging all resource types at a low success rate. It is found that the introduction of learning, one instance of phenotypic plasticity, changes what genetic configuration evolves. Specifically, the genome of learning agents evolves a predisposition to adapt quickly to changes in the resource distribution, under the same conditions for which non-learners would evolve a predisposition to maximize the foraging efficiency for a specific resource type. This paper expands the literature at the interface between Biology and Machine Learning by identifying the Baldwin effects in cyclically-changing environments and demonstrating that learning can change the outcome of evolution.
Involvement of a membrane skeletal protein, 4.1G, for Sertoli/germ cell interaction (2010)

We previously reported that a membrane skeletal protein, 4.1G (also known as EPB41L2), is immunolocalized in mouse seminiferous tubules. In this study, the 4.1G immunolocalizaiton was precisely evaluated at various stages of the mouse seminiferous epithelial cycle with 'in vivo cryotechnique' and also with pre-embedding immunoelectron microscopy in testicular tissues whose ultrastructures were well preserved with glycerol treatment before cryosectioning. In addition, 4.1G-deficient mice were produced, and the morphology of their seminiferous tubules was also evaluated. The 4.1G immunolocalization was different among stages, indicating that it was not only along cell membranes of Sertoli cells, but also those of spermatogonia and early spermatocytes. To confirm the 4.1G immunolocalization in germ cells, in vitro culture of spermatogonial stem cells (SSCs) was used for immunocytochemistry and immunoblotting analysis. In the cultured SSCs, 4.1G was clearly expressed and immunolocalized along cell membranes, especially at mutual attaching regions. In testicular tissues, cell adhesion molecule-1 (CADM1), an intramembranous adhesion molecule, was colocalized on basal parts of the seminiferous tubules and immunoprecipitated with 4.1G in the tissue lysate. Interestingly, in the 4.1G-deficient mice, histological manifestation of the seminiferous tubules was not different from that in wild-type mice, and the CADM1 was also immunolocalized in the same pattern as that in the wild-type. Moreover, the 4.1G-deficient male mice were fertile. These results were probably due to functional redundancy of unknown membrane skeletal molecules in germ cells. Thus, a novel membrane skeletal protein, 4.1G, was found in germ cells, and considering its interaction with CADM family, it probably has roles in attachment of both Sertoli-germ and germ-germ cells.
CVEGAN: A Perceptually-inspired GAN for Compressed Video Enhancement (2020)

We propose a new Generative Adversarial Network for Compressed Video quality Enhancement (CVEGAN). The CVEGAN generator benefits from the use of a novel Mul2Res block (with multiple levels of residual learning branches), an enhanced residual non-local block (ERNB) and an enhanced convolutional block attention module (ECBAM). The ERNB has also been employed in the discriminator to improve the representational capability. The training strategy has also been re-designed specifically for video compression applications, to employ a relativistic sphere GAN (ReSphereGAN) training methodology together with new perceptual loss functions. The proposed network has been fully evaluated in the context of two typical video compression enhancement tools: post-processing (PP) and spatial resolution adaptation (SRA). CVEGAN has been fully integrated into the MPEG HEVC video coding test model (HM16.20) and experimental results demonstrate significant coding gains (up to 28% for PP and 38% for SRA compared to the anchor) over existing state-of-the-art architectures for both coding tools across multiple datasets.
Enhanced Performance of Laser-Assisted Bonding with Compression (LABC) Compared with Thermal Compression Bonding (TCB) Technology (2019)

A LABC (Laser-Assisted Bonding with Compression) bonder and NCF (Non-Conductive Film) were developed to increase the productivity of the bonding process for the advanced microelectronic packaging technology. The design features of a LABC make its UPH above 1,000. The NCF was applied to both of LAB and TCB (Thermal Compression Bonding Technology). The 780μm-thick daisy chain top and bottom chips with the minimum pitch of 30μm and bump number of about 27,000 were prepared and tested to verify the LABC and NCF technology. The effects of the laser power on the joints quality after the LABC bonding process were investigated and compared with the joints formed by the TCB technology. Finally, the SAT (Scanning Acoustic Tomography) images of the test vehicles before and after the TCO (Pressurized oven) were observed to check the voids in the NCF after the LABC bonding process.
Shortened Log-Periodic Dipole Antenna Using Printed Dual-Band Dipole Elements (2018)

In this paper, a compact log-periodic dipole array (LPDA) antenna is developed at 0.5-10 GHz. This LPDA structure constitutes fewer dipole elements than a conventional LPDA antenna that exhibits similar resonant frequencies. In the design of a miniaturized LPDA antenna, various size-reduction techniques have been proposed in the open literature to decrease the lateral size of a conventional LPDA. However, little or no attention has been focused on reducing the size of the LPDA antenna by shortening the boom or axial length. In pursuit of reducing the total length of a conventional LPDA, a dual-band dipole antenna is proposed as the radiating elements for the LPDA antenna in this paper. The proposed dipole structure is a printed half-wave principal dipole loaded with a pair of resistive structures via subfeeding lines. A pair of resistive loads forms the auxiliary (secondary) dipole of the proposed dipole antenna. The structure of the proposed dual-band dipole is achieved without a ground plane as opposed to many existing dual-band antenna types. As a result, the dipole antenna has a simple geometry with omnidirectional characteristics. Also, the feeding structure of this dipole can provide an extra degree of freedom to tune the antenna for matching purposes. A 25-element LPDA antenna is designed with a much reduced boom length compared with existing LPDA structures. To confirm the feasibility of the technique, the experimental results of the proposed LPDA prototype were analyzed and juxtaposed with a benchmark LPDA.
Synthesis and characterization of gamma alumina and compared with an activated charcoal on the fluoride removal from potable well water (2016)

Fluoride compounds are widely distributed in nature and are generated in many industrial processes. In many parts of the world, significant causes of diseases are associated with elevated concentrations in drinking water. In comparison with other techniques, adsorption onto a solid surface (activated alumina, activated charcoal, zeolites, etc.) is a simple, versatile, and appropriate process for removal the fluoride. In this study, we synthesized Gamma alumina (γ-Al2O3) by homogeneous precipitation and compared its effectiveness at removing fluoride from water to a commercial brand activated charcoal. Process was carried out at pH 5 and 7. Fibrillar morphology of the γ-Al2O3 powder presents high porosity in comparison with the activated charcoal that has many small pores in its compact structure. Mesoporous γ-Al2O3 powder has a lower surface area (332 m2 · g–1) than microporous charcoal powder (601 m2 ·g–1), as determined by both gas nitrogen adsorption-desorption and scanning electron microscopy. However, γ-Al2O3 has a higher zeta potential and lower particle size than that determined for the activated charcoal. Adsorption isotherms of the fluoride removal concur with the Langmuir model for both adsorbents. γ-Al2O3 removes up to 95.5% of fluoride ions, significantly more than the activated charcoal (26%) at pH 5. Thus, based on results obtained, the adsorption process is controlled by the diffusion of fluoride ions in liquid immediately adjacent the outer surface of the adsorbent material.