gebhart/patrepeval huggingface dataset:
Heterocycles by cycloaddition. Part 6. Cycloaddition–double fragmentation reactions of mesoionic compounds with an oxabicyclo[2.2.1]heptadiene: synthesis of five- and six-membered heterocycles (1976)

The reaction of dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (1) with some five-membered mesoionic compounds [(2) and (10)] gave five-membered aromatic heterocycles [(6)–(9) and (12)] by thermal double fragmentation of the initially formed cycloadducts [(3), (4), and (11)]. The periselectivity of the cyclo-addition varies according to the mesoionic compound employed. With a dithiolone (10a) and a thiazolone (10b), the cycloadducts (11) were isolable, and the corresponding S-oxides (13) were prepared. Pyrolysis of the S-oxides gave a thiopyranone (14a) and a pyridone (14c).
Comparison of <i>n</i> and <i>s</i> as Fall-Off Parameters in the Slater and Rice-Ramsperger-Kassel Classical Theories of Unimolecular Reaction (1960)

The classical Rice-Ramsperger-Kassel integral for the unimolecular rate constant has been evaluated over a range of s values at the several values of b = 32, 36, 40 and 44. Equivalent values of s and of the Slater theory parameter n have been found by comparison of the shape of the fall-off behavior predicted by both theories in the upper region of fall-off. The equivalence diverges from the limiting relation n = 2s—1 even below n = 8. The findings are discussed briefly.
Electron paramagnetic resonance studies of silicon-related defects in diamond (2008)

We report the results of multifrequency electron paramagnetic resonance studies at temperatures between 8 and 300 K on diamonds synthesized by chemical vapor deposition and intentionally silicon doped with isotopes in natural abundance or isotopically enriched. The $^{29}\text{S}\text{i}$ hyperfine structure has provided definitive evidence for the involvement of silicon in two electron paramagnetic resonance centers in diamond that were previously suspected to involve silicon: KUL1 and KUL3. We present data that unambiguously identify KUL1 as an $S=1$ neutral silicon split-vacancy (${D}_{3d}$ symmetry) defect ${(V\text{-Si-}V)}^{0}$, while KUL3 is shown to be ${(V\text{-Si-}V)}^{0}$ decorated with a hydrogen atom, ${(V\text{-Si-}V:\text{H})}^{0}$.
Coded OFDM and OFDM/OQAM for Intensity Modulated Optical Wireless Systems (2009)

International audience
Stabilisation of an amorphous form of ROY through a predicted co-former interaction (2016)

The highly polymorphic compound ROY, notorious for the colour of its crystals, was the subject of an optimised high-throughput ultrasound-based co-crystal screen. This screen involved a computational pre-screen which highlighted an interaction between ROY and the potential co-former pyrogallol. We have shown that the presence of pyrogallol stabilises the amorphous form of ROY, highlighting the potential for future prediction of co-amorphous behaviours.
Neutrophil adherence to isolated adult canine myocytes. Evidence for a CD18-dependent mechanism. (1990)

Cardiac myocytes were isolated from adult dogs and incubated with isolated canine neutrophils (PMN). Intercellular adhesion was low and unchanged by stimulation of the PMN with zymosan activated serum or platelet activating factor (PAF) at concentrations that significantly enhance PMN adhesion to protein-coated glass and canine endothelial cell monolayers. Intercellular adhesion was significantly increased only when both myocytes and PMN were stimulated (e.g., myocytes incubated with IL-1, tumor necrosis factor, or phorbol myristate acetate, and PMN were chemotactically stimulated). Inhibitors of protein synthesis diminished the IL-1 beta-induced effect by greater than 80%. The IL-1 beta, PAF-stimulated PMN-myocyte adhesion was associated with substantial H2O2 production. Under conditions with low PMN-myocyte adhesion (i.e., IL-1 beta alone, PAF alone, or no stimulus) H2O2 production was generally less than 5% of that occurring with high adhesion. An anti-CD18 monoclonal antibody (R15.7) inhibited stimulated PMN-myocyte adhesion by greater than 95% and reduced H2O2 production by greater than 90%. Control isotype-matched, binding, and nonbinding antibodies were without effect on adherence or H2O2 production. The results indicate that cytokine stimulation of adult myocytes induces expression of a ligand involved in CD18-dependent adherence of canine neutrophils.
Adaptive equalization algorithms for high rate underwater acoustic communications (2002)

This paper is concerned with the design of high data rate acoustic communication systems that employ adaptive equalization to overcome the effects of intersymbol interference and fading. Our treatment is focused on the use of nonlinear decision-feedback equalization that is appropriate for high-speed, phase coherent digital communications on long range, deep water horizontal paths and medium range shallow water paths. The performance characteristics, limitations, and implementation complexities of adaptive equalization algorithms are also considered.
Genome-wide transcriptional responses of <i>Escherichia coli</i> to glyphosate, a potent inhibitor of the shikimate pathway enzyme 5-enolpyruvylshikimate-3-phosphate synthase (2012)

The shikimate pathway enzymes offer attractive targets for the development of antimetabolites. Glyphosate is an effective antimetabolite that inhibits 5-enolpyruvylshikimate-3-phosphate (EPSP) synthase in the shikimate pathway, thereby resulting in a shortage of the chorismate-derived essential aromatic amino acids. However, little is known about the genome-wide transcriptional responses of bacteria to glyphosate shock. In the current study, a transcriptome analysis of Escherichia coli (E. coli) exposed to glyphosate identified the differential expression of 1040 genes, which represent 23.2% of the genome. The differentially expressed genes are primarily involved in amino acid metabolism, cell motility, and central carbon metabolism, indicating that the impact of glyphosate on the shikimate pathway also extends to other metabolic pathways. Expectedly, almost all genes encoding the proteins for the shikimate and specific aromatic amino acid pathways were downregulated after the addition of glyphosate. Furthermore, the expression of many energy- and metabolism-related genes was repressed. In contrast, glyphosate treatment induced the coordinated upregulation of at least 50 genes related to cell motility and chemotaxis. The reverse transcription-quantitative real-time PCR (RT-qPCR) data showed that the expression profiles of selected genes from the referred pathways were found to be consistent with the microarray data. The results suggest that the presence of glyphosate during growth induces metabolic starvation, an energy drain and other non-target effects.
Video dosyaları üzerinde yüz ifade analizi için hızlandırılmış bir yaklaşım (2020)

Yüz ifadelerinin otomatik olarak analiz edilmesi ve sınıflandırılması; insan-bilgisayar etkileşimi, bilgisayarlı görme ve görüntü işleme gibi birçok alanda çalışılan zorlu bir problemdir. Son zamanlarda özellikle insan-bilgisayar etkileşiminde yaşanan gelişmelerle birlikte, insanlara ait duyguların bilgisayarlar tarafından anlaşılması elzem bir konu haline gelmiştir. Bunun yanında psikoloji, güvenlik, sağlık, oyun ve robotik gibi birçok çalışma alanında da yüz ifadelerinin analizine duyulan ihtiyaç giderek artmaktadır. Bu nedenlerden dolayı, yüz ifadelerinin hızlı ve doğru bir şekilde analiz edilmesi farklı uygulama alanlarında birçok yazılım sistemi için kritik bir rol oynamaktadır. Bu çalışmada, video dosyalarının hızlandırılmış yüz ifade analizi için bir yaklaşım önerilmiştir. Yüz ifadeleri mutluluk, normal, şaşkınlık ve üzüntü olmak üzere dört sınıfta ele alınmıştır. Analiz edilen toplam video kare sayısı azaltılarak ve paralel iş parçacıkları kullanılarak hızlandırılan ifade analizinin çok-çekirdekli bilgisayar üzerinde başarım değerlendirmesi sunulmuştur. Deneysel sonuçlar Hyper Threading teknolojisine sahip dört-çekirdekli işlemci kullanılarak elde edilmiştir. İşlemci üzerinde 2 iş parçacığı ile yaklaşık 1.8 kat, 4 iş parçacığı ile ise yaklaşık 2.9 kat hızlandırma elde edilirken; 8 iş parçacığı ile hızlandırma oranı yaklaşık olarak 3.5 kata çıkarılmıştır. Ayrıca istatiksel analiz sonuçları üzerinde hata analizi yapılarak, hatalı olduğu tespit edilen görüntü karelerine ait sonuçlar düzeltilmiştir
The Relationship Between Two Apparently Different Enterotoxins Produced By Enteropathogenic Strains Of Escherichia Coli Of Porcine Origin (1970)

SUMMARY Two enterotoxins formed by enteropathogenic strains of Escherichia coli of pig origin were studied. One of them (LT) was heat-labile and antigenic and the other (ST) was heat-stable and apparently non-antigenic. They were identified by their ability to dilate ligated segments of pig intestine. The ST component was produced by all of 40 enteropathogenic pig strains examined and the LT component was produced only by those strains that naturally possessed, or had possessed, K88 antigen. Both enterotoxins were found to be controlled by transmissible plasmids (Ent). In transmission experiments with donor strains that produced both LT and ST, it was not possible to isolate recipient strains that produced only one or other of these two enterotoxins; they all produced both. As a group, strains that had received Ent (Ent+) from donor strains that produced only ST dilated ligated segments to the same extent as did similar strains that had received Ent from donor strains that produced both ST and LT. The dilating effect of LT was neutralised by antisera prepared against live organisms of strains that produced LT and ST and, when larger doses were used, by antisera prepared against strains that had been shown to produce ST only. None of the antisera examined neutralised ST. Antisera prepared against living organisms neutralised the dilating effect of these organisms. This neutralising effect was bactericidal, not antitoxic, in character and it appeared to be largely strain-specific. ST and LT preparations of Ent+ strains produced a similar type of severe diarrhoea when given by mouth to piglets. Similar proparations of the corresponding Ent− strains did not. It is concluded that LT and ST are probably two forms of essentially the same enterotoxin.
Studies in Steroid Total Synthesis. IV. A Stereoselective Ring A Synthesis<sup>1</sup> (1956)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStudies in Steroid Total Synthesis. IV. A Stereoselective Ring A Synthesis1Lloyd B. Barkley, William S. Knowles, Harold Raffelson, and Quentin E. ThompsonCite this: J. Am. Chem. Soc. 1956, 78, 16, 4111–4116Publication Date (Print):August 1, 1956Publication History Published online1 May 2002Published inissue 1 August 1956https://pubs.acs.org/doi/10.1021/ja01597a068https://doi.org/10.1021/ja01597a068research-articleACS PublicationsRequest reuse permissionsArticle Views204Altmetric-Citations26LEARN 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
Optimum Design of an Electrostatic Zipper Actuator (2004)

We describe a method for predicting the optimal design of an electrostatic zipper actuator. The shape of the zipping beam and the electrode are optimized to maximize the applied force at a given stroke, while satisfying fabrication constraints, and the constraint that the pull-in instability occurs for a given applied voltage.
Quantitative Analysis of Polymer Dilation during Sorption Using FTIR-ATR Spectroscopy (2003)

The dilation of polycarbonate (PC), poly(vinyl acetate) (PVAc), and poly(ether urethane) (PEUT), induced by acetonitrile sorption at 40 °C, was studied using FTIR-ATR spectroscopy. Results compared well to those obtained through direct observation of volumetric changes using a CCD camera. Polymer dilation and penetrant sorption kinetics were monitored simultaneously with the spectroscopic technique, allowing further mechanistic insight into these processes. For the rubbery polymers (PVAc and PEUT), a linear relationship exists between time-evolved dilation and sorption, indicating that chain relaxation is fast relative to the diffusion process. However, for the glassy polymer (PC), there is a lag in dilation relative to sorption, suggesting that the nonequilibrium microvoids are filled before significant dilation occurs in the polymer. Model predictions of the extent of dilation, using the lattice fluid model for PVAc and PEUT and the nonequilibrium lattice fluid model for PC, overestimate the experimental data, particularly for PC. The large deviation for PC is due to the extreme sensitivity of the NELF model to polymer density, which is used to reflect the nonequilibrium nature of the glassy polymer and is strongly history dependent.
Electronic excited states and stabilities of fullerenes: Isomers of C<sub>78</sub> and Mg@C<sub>72</sub> (2003)

Abstract There is one factor in relative stabilities of isomeric fullerenes that has rarely been studied so far—the contribution of excited electronic states. The contribution is clearly quantified by the electronic partition function, supposing the related excitation energies can be evaluated. As temperatures in fullerene synthesis are high, the term should be taken into account. In this article the problem is studied on two isomeric systems. One is the set of five isolated pentagon rule isomers of C 78 , relatively well known from experiments. The other is a model set of four isomers of Mg@C 72 (not isolated yet). The electronic excitation energies are computed by the limited configuration interaction (CI) method. In the case of the C 78 isomeric set, the ZINDO semiempirical method is used. Isomers of Mg@C 72 are evaluated by means of the single‐excitation CI or CI‐singles (CIS) in the standard LanL2MB and LanL2DZ basis sets—CIS/LanL2MB and CIS/LanL2DZ. It is found that the electronic partition function can cause significant changes in the computed equilibrium relative concentrations of isomers at high temperatures. Metallofullerenes are more likely candidates for such enhanced effects. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Dye-sensitized solar cells using anodized ZnO nanowires (2014)

High aspect ratio metal oxide nanostructures promise to provide increased electron transport and light scattering over nanoparticle films in dye-sensitized solar cells (DSSCs).[1, 2] We have investigated the growth of ZnO nanowires (NWs) on zinc substrates using anodization, a method that benefits from rapid growth, relatively simple apparatus and the ability to control the morphology of the metal oxide nanostructures produced. Through a systematic study of the synthesis conditions, we have been able to tune the morphology of the NW arrays and optimise growth rates to over 3 µm min-1 with NW film thicknesses varying from 1 to 100 μm. The ZnO NW arrays produced by anodization have been applied as working electrodes in back-illuminated DSSCs, linking cell performance to NW structural characteristics and anodization conditions. Nanostructured metal oxides on conductive metallic substrates have previously been reported as an interesting alternative to conventional working electrodes for DSSCs due to their flexibility, which could allow fabrication by low-cost roll-to-roll production.[3, 4] 1. M. Law et al., Nature Mater., 2005, 4, 455-459. 2. J.-Y. Liao et al., Energy Environ. Sci., 2011, 4, 4079-4085. 3. S. Ito et al., Chem. Comm., 2006, 4004-4006. 4. Y.-H. Lai et al., J. Mater. Chem., 2010, 20, 9379-9385.
Measurement of human tissue-type plasminogen activator by a two-site immunoradiometric assay. (1983)

A two-site immunoradiometric assay for human extrinsic (tissue-type) plasminogen activator was developed by using rabbit antibodies raised against plasminogen activator purified from human melanoma cell culture fluid. Samples of 100 microliters containing 1 to 100 ng/ml plasminogen activator were incubated in the wells of polyvinyl chloride microtiter plates coated with antibody. The amount of bound extrinsic plasminogen activator was quantitated by the subsequent binding of 125I-labeled affinospecific antibody. The mean level of plasma samples taken at rest was 6.6 +/- 2.9 ng/ml (n = 54). This level increased approximately threefold by exhaustive physical exercise, venous occlusion, or infusion of DDAVP. Extrinsic plasminogen activator in plasma is composed of a fibrin-adsorbable and active component (1.9 +/- 1.1 ng/ml, n = 54, in resting conditions) and an inactive component that does not bind to a fibrin clot (probably extrinsic plasminogen activator-proteinase inhibitor complexes). The fibrin-adsorbable fraction increased approximately fivefold to eightfold after physical exercise, venous occlusion, or DDAVP injections. Potential applications of the immunoradiometric assay are illustrated by the measurement of extrinsic plasminogen activator in different tissue extracts, body fluids, and cell culture fluids and in oocyte translation products after injection with mRNA for plasminogen activator.
A Heck–Matsuda Process for the Synthesis of β‐Arylethenesulfonyl Fluorides: Selectively Addressable Bis‐electrophiles for SuFEx Click Chemistry (2016)

A Heck-Matsuda process for the synthesis of the otherwise difficult to access compounds, β-arylethenesulfonyl fluorides, is described. Ethenesulfonyl fluoride (i.e., vinylsulfonyl fluoride, or ESF) undergoes β-arylation with stable and readily prepared arenediazonium tetrafluoroborates in the presence of the catalyst palladium(II) acetate to afford the E-isomer sulfonyl analogues of cinnamoyl fluoride in 43-97 % yield. The β-arylethenesulfonyl fluorides are found to be selectively addressable bis-electrophiles for sulfur(VI) fluoride exchange (SuFEx) click chemistry, in which either the alkenyl moiety or the sulfonyl fluoride group can be the exclusive site of nucleophilic attack under defined conditions, making these rather simple cores attractive for covalent drug discovery.
Heterogeneous flow kinematics of cellulose nanofibril suspensions under shear (2015)

The rheology of NFC suspensions that exhibited different microstructures and colloidal stability, namely TEMPO and enzymatic NFC suspensions, was investigated at the macro and mesoscales using a transparent Couette rheometer combined with optical observations and ultrasonic speckle velocimetry (USV). Both NFC suspensions showed a complex rheology, which was typical of yield stress, non-linear and thixotropic fluids. Hysteresis loops and erratic evolutions of the macroscale shear stress were also observed, thereby suggesting important mesostructural changes and/or inhomogeneous flow conditions. The in situ optical observations revealed drastic mesostructural changes for the enzymatic NFC suspensions, whereas the TEMPO NFC suspensions did not exhibit mesoscale heterogeneities. However, for both suspensions, USV measurements showed that the flow was heterogeneous and exhibited complex situations with the coexistence of multiple flow bands, wall slippage and possibly multidimensional effects. Using USV measurements, we also showed that the fluidization of these suspensions could presumably be attributed to a progressive and spatially heterogeneous transition from a solid-like to a liquid-like behavior. As the shear rate was increased, the multiple coexisting shear bands progressively enlarged and nearly completely spanned over the rheometer gap, whereas the plug-like flow bands were eroded.
Isolation and<i>in vitro</i>, expression of the ricin A-chain gene: effect of deletions on biological activity (1989)

The gene encoding the ricin A-chain was isolated and subcloned into an in vitro expression vector downstream from the SP6 promotor. mRNA encoding the A-chain strongly inhibited the translational activity of reticulocyte lysates. The inhibition correlated with glycosylase activity on rRNA, and could be abolished by addition of antibodies specific for ricin. mRNA generated after linearization of the vector at unique restriction sites within the A-chain coding sequence did not inhibit, except after linearization with ScaI. Also mutants lacking the 28 N-terminal amino acids of native A-chain strongly inhibited the lysates. However, in both cases no glycosylase activity could be observed. We also show that the lack of a stop codon in mRNA does not affect the level of expression as assayed here.
Verifying Interacting Finite State Machines (1993)

In this report a model of interacting finite state machines is defined. Complexity-theoretic lower bounds on one-step reachability, generalized reachability, language containment, CTL model checking, trace equivalence, and bisimulation equivalence on such structures are established. State minimization is proposed as a mechanism for hierarchical verification. Generalized notions of state equivalence are introduced and minimality of the resulting quotient machines is discussed. Computing complete state equivalence is shown to be intractable and heuristics for computing a weaker equivalences are outlined
Bayesian estimation of cyclosporin exposure for routine therapeutic drug monitoring in kidney transplant patients (2004)

Our Bayesian approach enabled a good estimation of CsA exposure in a population of patients with variable pharmacokinetic profiles, showing its usefulness for routine AUC-based therapeutic drug monitoring.
Upgrading Lagoon Effluents with Rock Filters (1980)

Rock filtration is an effective, low-cost unit process for removing algae from effluents and correspondingly upgrading lagoon treatment. Sedimentation is the primary mechanism of algal removal within rock filter. A mathematical model of the sedimentation mechanism indicated that total suspendedsolids (TSS) removal efficiency is a function of the distribution of algal settling velocities, the hydraulic retention time, and the effective settling distance in the rock filter. Weekly average effluent biochemical oxygendemand (BOD5) and TSS from the Veneta, Ore, lagoon-rock filter treatment facility did not exceed 20 mg/L over a 1-yr study period. Settling rates of algae from the Veneta lagoon averaged about 0.05 my. A linear relationship between TSS removal efficiency and hydraulic loading rate was demonstrated.