gebhart/patrepeval huggingface dataset:
Mechanistic Evidence for a Ring-Opening Pathway in the Pd-Catalyzed Direct Arylation of Benzoxazoles (2007)

The direct Pd-catalyzed arylation of 5-substituted benzoxazoles, used as a mechanistic model for 1,3-azoles, was investigated experimentally and computationally. The results of the primary deuterium kinetic isotope effect, Hammett studies, and H/D exchange were shown to be inconsistent with the rate-limiting electrophilic or concerted palladation. A mechanism, proposed on the basis of kinetic and computational studies, includes generation of isocyanophenolate as the key step. The DFT calculations suggest that the overall catalytic cycle is facile and is largely controlled by the C−H acidity of the substrate.
Efficient and Invariant Convolutional Neural Networks for Dense Prediction (2017)

Convolutional neural networks have shown great success on feature extraction from raw input data such as images. Although convolutional neural networks are invariant to translations on the inputs, they are not invariant to other transformations, including rotation and flip. Recent attempts have been made to incorporate more invariance in image recognition applications, but they are not applicable to dense prediction tasks, such as image segmentation. In this paper, we propose a set of methods based on kernel rotation and flip to enable rotation and flip invariance in convolutional neural networks. The kernel rotation can be achieved on kernels of 3 $\times$ 3, while kernel flip can be applied on kernels of any size. By rotating in eight or four angles, the convolutional layers could produce the corresponding number of feature maps based on eight or four different kernels. By using flip, the convolution layer can produce three feature maps. By combining produced feature maps using maxout, the resource requirement could be significantly reduced while still retain the invariance properties. Experimental results demonstrate that the proposed methods can achieve various invariance at reasonable resource requirements in terms of both memory and time.
Multiple object tracking on static surveillance video using field-based prediction information in MPEG-2 video (2010)

We present new algorithms to detect and track multiple moving objects in a static surveillance video that uses MPEG-2 compression. The algorithm detects moving objects based on the location of field-based motion estimated macroblocks in inter-prediction frames, and tracks their movements along video scene by using an extension of Kalman filter that uses the objects' velocity information. Experiments show that the algorithm outputs highly accurate results in various scenarios.
Biocompatibility of surfactant‐templated polyurea–nanoencapsulated macroporous silica aerogels with plasma platelets and endothelial cells (2009)

The recently synthesized polyurea-nanoencapsulated surfactant-templated aerogels (X-aerogels) are porous materials with significantly improved mechanical strengths. Surface-wise they resemble polyurethane, a common biocompatible material, but their biocompatibility has never been investigated. As lightweight and strong materials, if X-aerogels also have acceptable biocompatibility, they may be used in many implantable devices. The goal of this study was to investigate their biocompatibility toward platelets, blood plasma, and vascular endothelial cells, in terms of cell activation and inflammatory responses. Platelets were incubated with X-aerogel and platelet activation was measured through CD62P and phosphatidylserine expression. Platelet aggregation was also measured. Contact with X-aerogel did not induce platelet activation or impair aggregation. To determine X-aerogel-induced inflammation, plasma anaphylatoxin C3a level was measured after incubation with X-aerogel. Results showed that X-aerogel induced no changes in plasma C3a levels. SEM and SDS-PAGE were used to examine cellular/protein deposition on X-aerogel samples after plasma incubation. No structural change or organic deposition was detected. Furthermore, X-aerogel samples did not induce any significant changes in vascular endothelial cell culture parameters after 5 days of incubation. These observations suggest that X-aerogels have a suitable biocompatibility toward platelets, plasma, and vascular endothelial cells, and they have potential for use in blood implantable devices.
Assessing Atropisomer Axial Chirality in Drug Discovery and Development (2011)

ADVERTISEMENT RETURN TO ISSUEPerspectiveNEXTAssessing Atropisomer Axial Chirality in Drug Discovery and DevelopmentSteven R. LaPlante*†, Lee D. Fader†, Keith R. Fandrick‡, Daniel R. Fandrick‡, Oliver Hucke†, Ray Kemper‡, Stephen P. F. Miller§, and Paul J. Edwards*†View Author Information† Department of Chemistry, Boehringer Ingelheim (Canada) Ltd., 2100 Cunard Street, Laval, Quebec, H7S 2G5, Canada‡ Chemical Development, Non-Clinical Drug Safety, Boehringer Ingelheim Pharmaceutical Inc., 900 Ridgebury Road, Ridgefield, Connecticut 06877, United States§ Office of New Drug Quality Assessment, Center for Drug Evaluation and Research, U.S. Food and Drug Administration, 10903 New Hampshire Avenue, Building 22, Room 1446, Silver Spring, Maryland 20993, United States*For S.R.L.: phone, 1-450-682-4640; fax, 1-450-682-8434; e-mail, [email protected]. For P.J.E.: phone, 1-450-682-4640; e-mail, [email protected]Cite this: J. Med. Chem. 2011, 54, 20, 7005–7022Publication Date (Web):August 17, 2011Publication History Received10 May 2011Published online15 September 2011Published inissue 27 October 2011https://pubs.acs.org/doi/10.1021/jm200584ghttps://doi.org/10.1021/jm200584greview-articleACS PublicationsCopyright © 2011 American Chemical SocietyRequest reuse permissionsArticle Views17317Altmetric-Citations577LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Chirality,Drug discovery,Mixtures,Molecular structure,Pharmaceuticals Get e-Alerts
Photochemistry of nonconjugated bichromophoric systems. Intramolecular photocycloaddition of N,N'-alkylenedimaleimides in solution (1973)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPhotochemistry of nonconjugated bichromophoric systems. Intramolecular photocycloaddition of N,N'-alkylenedimaleimides in solutionJ. Put and F. C. De SchryverCite this: J. Am. Chem. Soc. 1973, 95, 1, 137–145Publication Date (Print):January 1, 1973Publication History Published online1 May 2002Published inissue 1 January 1973https://pubs.acs.org/doi/10.1021/ja00782a023https://doi.org/10.1021/ja00782a023research-articleACS PublicationsRequest reuse permissionsArticle Views447Altmetric-Citations55LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Pancreas transplantation with histidine-tryptophan-ketoglutarate (HTK) solution and University of Wisconsin (UW) solution: is there a difference? (2007)

HTK is clinically comparable to UW. Both solutions have been shown to be safe for pancreas preservation. Successful pancreas transplantation depends on many factors such as donor and recipient factors, but skilled organ procurement techniques, organ preservation, and transplant experience in this field is mandatory. The choice of organ preservation solution is only one point in this context.
Targeting tumor cells expressing p53 with a water-soluble inhibitor of Hdm2 (2008)

The tumor suppressor protein p53 is a potent inducer of apoptosis in transformed cells. Hdm2 is an ubiquitin ligase (E3) that acts as a major regulator of p53 by promoting its ubiquitylation and proteasomal degradation. For this reason, inhibiting the E3 activity of Hdm2 has been proposed as a therapeutic approach for cancers expressing wild-type p53. We previously identified a family of small molecules (HLI98s, 7-nitro-10-aryl-5-deazaflavins) that inhibit the E3 activity of Hdm2, increase cellular p53, and selectively kill transformed cells expressing wild-type p53. However, issues of both potency and solubility in aqueous solution limit the utility of the HLI98s. Here, we report that a highly soluble derivative of the HLI98s, which has a 5-dimethylaminopropylamino side chain but lacks the 10-aryl group (HLI373), has greater potency than the HLI98s in stabilizing Hdm2 and p53, activating p53-dependent transcription, and inducing cell death. Furthermore, we show that HLI373 is effective in inducing apoptosis of several tumor cells lines that are sensitive to DNA-damaging agents. These results suggest that HLI373 could serve as a potential lead for developing cancer therapeutics based on inhibition of the ubiquitin ligase activity of Hdm2.
Order statistic-neural network hybrid filters for gamma camera-bremsstrahlung image restoration (1993)

An order statistic and neural network hybrid filter (OSNNH) is proposed for the restoration of gamma camera images using the measured modulation transfer function. Planar images of beta-emitting radionuclides are used to evaluate the filter because they exhibit higher degradation than images of single photon emitters due to increased photon scattering and collimator septal penetration. The filter performance is quantitatively evaluated and compared to that of the Wiener filter by investigating the relationship between the externally measured counts from sources of phosphorous-32 ((32)P) at various depths in water. An effective linear attenuation coefficient for (32)P is determined to be equal to 0.13 cm(-1) and 0.14 cm(-1) for the OSNNH and the Wiener filters, respectively. Evaluation of phantom and patient filtered images demonstrates that the OSNNH filter avoids ring effects caused by the ill-conditioned blur matrix and noise overriding caused by matrix inversion, typical of other restoration filters such as the Wiener.
Commercial law in Australia (2009)

A concise resource of fundamental concepts of Australian commercial law written in Chinese. Commercial Law in Australia is an exciting new book on commercial law. The book is written in Chinese by a leading academic and is designed specifically to assist Chinese-speakers with gaining an understanding of the fundamental concepts of Australian commercial law. Important Features: Â· Chinese language text covering the fundamental concepts of commercial law, allowing students to develop a core understanding before moving on to more in-depth study. Â· Legal terms in Chinese and English, allowing the reader to develop their English language skills. Â· Glossary of terms allows for a quick and easy reference and understanding of fundamental legal concepts. Â· Written by a leading academic with a strong history of research and publication in English and Chinese.
Theoretical and experimental investigation of aqueous liquids contained in carbon nanotubes (2005)

The dynamic response—as caused by different means of thermal stimulation or pressurization—of aqueous liquid attoliter volumes contained inside carbon nanotubes is investigated theoretically and experimentally. The experiments indicate an energetically driven mechanism responsible for the dynamic multiphase fluid behavior visualized in real time with high spatial resolution using electron microscopy. The theoretical model is formulated using a continuum approach, which combines temperature-dependent mass diffusion with intermolecular interactions in the fluid bulk, as well as in the vicinity of the carbon walls. Intermolecular forces are modeled by Lennard-Jones potentials. Several one-dimensional and axisymmetric cases are considered. These include situations which physically represent liquid volume pinchoff, jetting, or fluid relocation due to thermal stimulation by a steady or modulated electron beam, as well as liquid precipitation (condensation) from vapor due to overcooling or pressurization. Comparisons between theoretical predictions and experimental data demonstrate the ability of the model to describe the characteristic trends observed in the experiments.
Estrogen Receptor (ER)-β Reduces ERα-Regulated Gene Transcription, Supporting a “Ying Yang” Relationship between ERα and ERβ in Mice (2003)

Estrogen is of importance for the regulation of adult bone metabolism. The aim of the present study was to determine the role of estrogen receptor-beta (ERbeta) in vivo on global estrogen-regulated transcriptional activity in bone. The effect of estrogen in bone of ovariectomized mice was determined using microarray analysis including 9400 genes. Most of the genes (95% = 240 genes) that were increased by estrogen in wild-type (WT) mice were also increased by estrogen in ERbeta-inactivated mice. Interestingly, the average stimulatory effect of estrogen on the mRNA levels of these genes was 85% higher in ERbeta-inactivated than in WT mice, demonstrating that ERbeta reduces estrogen receptor-alpha (ERalpha)-regulated gene transcription in bone. The average stimulatory effect of estrogen on estrogen-regulated bone genes in ERalpha-inactivated mice was intermediate between that seen in WT and ERalphabeta double-inactivated mice. Thus, ERbeta inhibits ERalpha-mediated gene transcription in the presence of ERalpha, whereas, in the absence of ERalpha, it can partially replace ERalpha. In conclusion, our in vivo data indicate that an important physiological role of ERbeta is to modulate ERalpha-mediated gene transcription supporting a "Ying Yang" relationship between ERalpha and ERbeta in mice.
Theoretische Grundlagen zur „Niedrig-Temperatur-Verfestigung“ von Eisenhaltigen Entfallstoffen (1979)

Unter Sintern versteht man allgemein einen Vorgang, durch den ein Material aus feinverteiltem Pulverzustand mit großer spezifischer Oberfläche in einen Festkörper überführt wird, der ein Minimum an spezifischer Oberfläche annehmen kann, ohne daß der Schmelzpunkt des Materials erreicht wird. Die Triebkraft aller Sintervorgänge ohne äußere Druckkräfte ist die Verkleinerung der totalen Oberflächenenergie. Die wesentlichen phänomenologischen Aspekte des Sintervorganges sind die Erhöhung der Festigkeit und die Verminderung der Porosität des Pulverformkörpers.
The Bordetella Adenylate Cyclase Repeat-in-Toxin (RTX) Domain Is Immunodominant and Elicits Neutralizing Antibodies (2014)

The adenylate cyclase toxin (ACT) is a multifunctional virulence factor secreted by Bordetella species. Upon interaction of its C-terminal hemolysin moiety with the cell surface receptor αMβ2 integrin, the N-terminal cyclase domain translocates into the host cell cytosol where it rapidly generates supraphysiological cAMP concentrations, which inhibit host cell anti-bacterial activities. Although ACT has been shown to induce protective immunity in mice, it is not included in any current acellular pertussis vaccines due to protein stability issues and a poor understanding of its role as a protective antigen. Here, we aimed to determine whether any single domain could recapitulate the antibody responses induced by the holo-toxin and to characterize the dominant neutralizing antibody response. We first immunized mice with ACT and screened antibody phage display libraries for binding to purified ACT. The vast majority of unique antibodies identified bound the C-terminal repeat-in-toxin (RTX) domain. Representative antibodies binding two nonoverlapping, neutralizing epitopes in the RTX domain prevented ACT association with J774A.1 macrophages and soluble αMβ2 integrin, suggesting that these antibodies inhibit the ACT-receptor interaction. Sera from mice immunized with the RTX domain showed similar neutralizing activity as ACT-immunized mice, indicating that this domain induced an antibody response similar to that induced by ACT. These data demonstrate that RTX can elicit neutralizing antibodies and suggest it may present an alternative to ACT.
<title>In-line testing for fiber subscriber loop applications</title> (1991)

With fiber approaching the subscriber premises much attention is being given to maintenance and repair issues. A novel approach for conducting Fiber Loop Testing on bidirectional single-fiber networks is described. Through the use of the system laser and detector regular maintenance and testing can be carried out in-line without interrupting traffic. Apart from the obvious cost savings other advantages of this approach include the integration of the fiber testing function into the transmission system and the automation of the testing and fault locating process.
LaB_6 Transparent Cathode for Organic Light Emitting Diode (2005)

Similar E-beam evaporation was employed for cathode preparation in transparent organic light emitting diode(TOLED).This TOLED introduces a new type of material,lanthanum hexaborides(LaB_6),as transparent cathode,and has the device structures of ITO/TPD/Alq_3/LaB_6.Polycrystal-LaB_6 powder was placed in a graphite-boat,which was bombarded by the emitted-electrons of an oxide cathode,and then LaB_6 was sublimated and deposited.This device shows a good injection for electrons because LaB_6 has a low work function,and has the transparency of ～70% in visible spectrum.The device reaches a luminance of 100 cd/m2 at 7.2 V corresponding to injected current density of 4.8 mA/cm2.
GaAs sawtooth superlattice laser emitting at wavelengths λ&gt;0.9 μm (1985)

A new type of semiconductor superlattice laser grown by molecular beam epitaxy is realized in GaAs. The active region of the injection laser consists of alternating n and p Dirac-delta doped layers resulting in a sawtooth-shaped conduction-band and valence-band edge. The band gap of this new GaAs superlattice is smaller than the GaAs bulk band gap. Room-temperature operation of broad-area GaAs sawtooth superlattice (STS) injection lasers is demonstrated at a wavelength of 905 nm. The threshold current density of the STS laser is 2.2 kA/cm2.
The Eight and a Half Year Journey of Undiagnosed AD: Gene Sequencing and Funding of Advanced Genetic Testing Has Led to Hope and New Beginnings (2017)

This case study emphasizes the importance of diagnosis and describes, for the first time, early motor intervention therapies. Detailed developmental profile of selected cases leads to better treatments.
Oral messages improve visual search (2006)

Input multimodality combining speech and hand gestures has motivated numerous usability studies. Contrastingly, issues relating to the design and ergonomic evaluation of multimodal output messages combining speech with visual modalities have not yet been addressed extensively.The experimental study presented here addresses one of these issues. Its aim is to assess the actual efficiency and usability of oral system messages including some brief spatial information for helping users to locate objects on crowded displays rapidly and without effort.Target presentation mode, scene spatial structure and task difficulty were chosen as independent variables. Two conditions were defined: the visual target presentation mode (VP condition) and the multimodal target presentation mode (MP condition). Each participant carried out two blocks of visual search tasks (120 tasks per block, and one block per condition). Scene target presentation mode, scene structure and task difficulty were found to be significant factors. Multimodal target presentation mode proved to be more efficient than visual target presentation. In addition, participants expressed very positive judgments on multimodal target presentations which were preferred to visual presentations by a majority of participants. Besides, the contribution of spatial messages to visual search speed and accuracy was influenced by scene spatial structure and task difficulty. First, messages improved search efficiency to a lesser extent for 2D array layouts than for some other symmetrical layouts, although the use of 2D arrays for displaying pictures is currently prevailing. Second, message usefulness increased with task difficulty. Most of these results are statistically significant.
G protein‐associated, specific membrane binding sites mediate the neuroprotective effect of dehydroepiandrosterone (2006)

The neurosteroid dehydroepiandrosterone (DHEA) at 1 nM protects NMDA-/GABAA-receptor negative neural crest-derived PC12 cells from apoptosis. We now report that membrane-impermeable DHEA-BSA conjugate replaces unconjugated DHEA in protecting serum-deprived PC12 cells from apoptosis (IC50=1.5 nM). Protection involves phosphorylation of the prosurvival factor Src and induction of the anti-apoptotic protein Bcl-2 and is sensitive to pertussis toxin. Binding assays of [3H]DHEA on isolated PC12 cell membranes revealed saturation within 30 min and binding of DHEA with a Kd of 0.9 nM. A similar binding activity was detectable in isolated membranes from rat hippocampus and from normal human adrenal chromaffin cells. The presence of DHEA-specific membrane binding sites was confirmed by flow cytometry and confocal laser microscopy of DHEA-BSA-FITC stained cells. In contrast to estrogens and progestins, glucocorticoids and androgens displaced DHEA from its membrane binding sites but with a 10-fold lower affinity than DHEA (IC50=9.3 and 13.6 nM, respectively). These agents acted as pure antagonists, blocking the antiapoptotic effect of DHEA as well as the induction of Bcl-2 proteins and Src kinase activation. In conclusion, our findings suggest that neural crest-derived cells possess specific DHEA membrane binding sites coupled to G proteins. Binding to these sites confers neuroprotection.
Spatiotemporal local orientational binary patterns for facial expression recognition from video sequences (2012)

On account of encoding the binary result of the differential values between the central pixel and its neighbors, the local binary pattern (LBP) cannot describe more detailed information. Aiming at this issue, local orientational binary patterns (LOBP) is proposed. LOBP encodes the variations of the neighborhood orientational difference, which represents more detailed pattern information in the local region. An extension of LOBP to 3-D space is proposed, which is called spatiotemporal local orientational binary patterns (SLOBP). SLOBP uses three orthogonal planes (XY, XT, and YT) that intersect in the center pixel. SLOBP considers the feature distributions obtained separately from each plane and then concatenates them together. SLOBP can capture effectively the spatiotemporal feature in 3-D space such as video sequence. Experimental results demonstrate that the proposed method outperforms other modern approach applied in facial expression recognition from video sequences.