gebhart/patrepeval huggingface dataset:
Mechanistic basis for differential inhibition of the F1Fo‐ATPase by aurovertin (2009)

The mitochondrial F(1)F(o)-ATPase performs the terminal step of oxidative phosphorylation. Small molecules that modulate this enzyme have been invaluable in helping decipher F(1)F(o)-ATPase structure, function, and mechanism. Aurovertin is an antibiotic that binds to the beta subunits in the F(1) domain and inhibits F(1)F(o)-ATPase-catalyzed ATP synthesis in preference to ATP hydrolysis. Despite extensive study and the existence of crystallographic data, the molecular basis of the differential inhibition and kinetic mechanism of inhibition of ATP synthesis by aurovertin has not been resolved. To address these questions, we conducted a series of experiments in both bovine heart mitochondria and E. coli membrane F(1)F(o)-ATPase. Aurovertin is a mixed, noncompetitive inhibitor of both ATP hydrolysis and synthesis with lower K(i) values for synthesis. At low substrate concentrations, inhibition is cooperative suggesting a stoichiometry of two aurovertin per F(1)F(o)-ATPase. Furthermore, aurovertin does not completely inhibit the ATP hydrolytic activity at saturating concentrations. Single-molecule experiments provide evidence that the residual rate of ATP hydrolysis seen in the presence of saturating concentrations of aurovertin results from a decrease in the binding change mechanism by hindering catalytic site interactions. The results from these studies should further the understanding of how the F(1)F(o)-ATPase catalyzes ATP synthesis and hydrolysis.
Radiation Resistance in Glioma Cells Determined by DNA Damage Repair Activity of Ape1/Ref-1 (2010)

Since radiation therapy remains a primary treatment modality for gliomas, the radioresistance of glioma cells and targets to modify their radiation tolerance are of significant interest. Human apurinic endonuclease 1 (Ape1, Ref-1, APEX, HAP1, AP endo) is a multifunctional protein involved in base excision repair of DNA and a redox-dependent transcriptional co-activator. This study investigated whether there is a direct relationship between Ape1 and radioresistance in glioma cells, employing the human U87 and U251 cell lines. U87 is intrinsically more radioresistant than U251, which is partly attributable to more cycling U251 cells found in G2/M, the most radiosensitive cell stage, while more U87 cells are found in S and G1, the more radioresistant cell stages. But observed radioresistance is also related to Ape1 activity. U87 has higher levels of Ape1 than does U251, as assessed by Western blot and enzyme activity assays (approximately 1.5-2 fold higher in cycling cells, and approximately 10 fold higher at G2/M). A direct relationship was seen in cells transfected with CMV-Ape1 constructs; there was a dose-dependent relationship between increasing Ape1 overexpression and increasing radioresistance. Conversely, knock down by siRNA or by pharmacological down regulation of Ape1 resulted in decreased radioresistance. The inhibitors lucanthone and CRT004876 were employed, the former a thioxanthene previously under clinical evaluation as a radiosensitizer for brain tumors and the latter a more specific Ape1 inhibitor. These data suggest that Ape1 may be a useful target for modifying radiation tolerance.
High Speed Endoscope Imaging to Supplement CFD Analysis and Combustion Testing for SIDI Engine Startup Development (2010)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;Optimization of engine startup from crank to catalyst light-off is essential for achieving low emissions. For Spark Ignition Direct Injected (SIDI) engines, this requires optimization of the piston crown features, spray characteristics and control strategy. In this case study, high speed endoscope imaging was used to provide a qualitative confirmation of CFD spray predictions and to provide insight into engine starting in a “real” engine environment. The effect of piston feature was initially evaluated in a single cylinder engine running the dual-injection catalyst heating mode. The piston features were also assessed at part load and wide open throttle. The videos of the spray development were compared to CFD predictions. In the example case reported here, endoscope imaging showed that the baseline piston bowl was not effective in deflecting the spray toward the spark plug. Moving the piston bowl toward the injector gave a visible improvement in the spray deflection. Engine tests confirmed improved combustion stability. A unique rigid camera-mounting system allowed similar endoscope access on a multi-cylinder engine to provide continuous imaging of the actual crank, crank-to-run, and light-off processes. The impact of injection pressure during startup on the initial spray and combustion events could be readily visualized to assist calibration. These results confirmed that high speed endoscopy can be applied to practical engine development programs for qualitative CFD validation and to assist in engine startup and catalyst heating mode development.&lt;/div&gt;&lt;/div&gt;
Capacity and performance gains through temporal and spatial oversampling (2004)

In this work we present simulation results on the capacity and performance gains attainable by oversampling at the receiver in the temporal and spatial domains. The study assumes a downlink direct sequence code division multiple access (CDMA) system with a linear receiver. Oversampling in the temporal domain refers to sampling at a rate higher than the chip-rate. Oversampling in the spatial domain refers to multiple receiver antennas. The simulations results verify various aspects of our theoretical results including the dimensional resolution of inter-symbol interference (ISI) through spatial oversampling and the utilization of the bandwidth expansion for capacity gains through temporal oversampling. We quantify the performance gains by illustrating increases in system dimensionality and providing a bit error rate (BER) metric.
Association between 4-year all-cause mortality and carnitine profile in maintenance hemodialysis patients (2018)

The 4-year all-cause mortality negatively correlated with the C2/(C16+C18:1) ratio. Improvement of the impaired β-oxidation state after L-carnitine administration may ameliorate prognosis.
Intersubband transitions in GaP–AlP heterostructures (2006)

Intersubband optical transitions in doped AlP–GaP multiple quantum wells are investigated using midinfrared absorption. Strong p-polarized absorption corresponding to the transition from the first to the fourth electronic subband in the Xz valley is measured at wavelengths between 5 and 8μm. Additional absorption peaks related to transitions between confined donor states are also observed. The measured intersubband transition energies are consistent with an X valley conduction band offset between AlP and GaP of 280meV and a value of 1.1m0 for the longitudinal effective mass for the X valleys of AlP (where m0 is a free electron mass). These values, the role of donors and confined two-dimensional continuum states, and applications of this system for terahertz intersubband devices are discussed.
Fast Lysis by Complement and Uptake by Liver of Avidin-Carrying Biotinylated Erythrocytes (1992)

The fate of 51Cr-labelled avidin-carrying biotinylated erythrocytes after intravenous injection in the rat was examined. Surface amino groups of the erythrocyte membrane were modified by biotin N-hydroxysuccinimide ester. The biodistribution and stability of biotinylated erythrocytes in the blood were similar to those of non-biotinylated cells. Both types of cells circulated in the bloodstream for prolonged periods of time without substantial lysis (about 2-3% of injected radioactivity per g of blood for 24-48 hours, no more than 2% of lysis). Both types of erythrocytes were cleared by the spleen. The clearance of biotinylated cells was faster and more pronounced (peak of spleen uptake at 3 hours after injection, up to 35% of injected radioactivity per g of spleen), than that of nonbiotinylated cells (peak of spleen uptake at 24 hours after injection, up to 25% of injected radioactivity per g of spleen). Attachment of avidin to biotinylated cells results in extremely rapid lysis and clearance from the bloodstream (0.17% of injected radioactivity per g of blood 30 min after injection, 100% lysis). Radioactivity was rapidly cleared by the liver (up to 80% of injected dose per g of tissue, 70% per organ). Uptake by the spleen plays only a minor role in the clearance. Considerable lung uptake of avidin-carrying biotinylated erythrocytes was observed. Avidin-carrying biotinylated erythrocytes were lysed by fresh homologous serum in vitro in contrast to biotinylated and native cells. Lysis was eliminated by pretreatment of serum with EDTA or heating, which indicates a complement-dependent mechanism of lysis.
Passive millimetre-wave imaging architectures (2003)

This paper discusses various passive millimetre-wave imaging systems. It includes sources of radiation, atmospheric transmission and a brief summary of their various applications. This is followed by a review of methods for detecting millimetre-wave radiation. From a cost analysis it is shown that scanned systems are at present far more cost effective than focal plane array of receivers for high-performance systems. Then various types of imaging system available are considered with greater emphasis on recent developments and their methods of beam forming. It is concluded that at present, and for the foreseeable future, optical beam forming and beam steering are the most cost-effective solutions. Some general remarks are included as to how receivers are matched to their collection apertures, followed by a section on optical beam-forming components. The recent development of a lightweight, low-cost, high-performance reflective lens is included. It is then shown how this may be combined with mechanical scanning systems to form high-performance passive millimetre-wave imaging systems.
Isolation and Analysis of Radiolabeled Meningococcal Endotoxin (2003)

The Gram-negative pathogen Neisseria meningitidis, is one of the leading causes of bacterial meningitis worldwide (1). The host range for this organism is restricted to humans, where it colonizes the mucosal epithelium of the upper airway. It occasionally disseminates causing invasive disease (sepsis, disseminated intravascular coagulation [DIC], meningitis). Epidemic meningococcal meningitis is a major health problem, most notably in sub-Saharan Africa. In 1999, an outbreak of meningococcal disease spread across Guinea-Bissau, a region that is part of what is commonly called the African meningitis belt (2). There were 2,169 reported cases and 404 deaths resulting from meningococcal disease in this outbreak from Jan. 1 to April 5, 1999. Also in 1999, there were reported outbreaks in Sudan (22,000 cases and 1,600 deaths) Rwanda (29 cases and 11 deaths), Angola (253 cases and 147 deaths), Ethiopia (126 cases and 4 deaths) and Senegal (2,709 cases and 372 deaths) (2). According to the World Health Organization (WHO), each year approx 500,000 cases of meningitis and 50,000 deaths are attributable to N. meningitidis worldwide. In the United States, meningococcal disease is less common, although small outbreaks are reported each year (3).
On non-cooperative location privacy (2009)

In mobile networks, authentication is a required primitive for the majority of security protocols. However, an adversary can track the location of mobile nodes by monitoring pseudonyms used for authentication. A frequently proposed solution to protect location privacy suggests that mobile nodes collectively change their pseudonyms in regions called mix zones. Because this approach is costly, self-interested mobile nodes might decide not to cooperate and could thus jeopardize the achievable location privacy. In this paper, we analyze the non-cooperative behavior of mobile nodes by using a game-theoretic model, where each player aims at maximizing its location privacy at a minimum cost. We first analyze the Nash equilibria in n-player complete information games. Because mobile nodes in a privacy-sensitive system do not know their opponents' payoffs, we then consider incomplete information games. We establish that symmetric Bayesian-Nash equilibria exist with simple threshold strategies in n-player games and derive the equilibrium strategies. By means of numerical results, we show that mobile nodes become selfish when the cost of changing pseudonyms is small, whereas they cooperate more when the cost of changing pseudonyms increases. Finally, we design a protocol - the PseudoGame protocol - based on the results of our analysis.
Synergistic Effect of 5-Nitro-2′-deoxyuridine with Ganciclovir Against Human CytomegalovirusIn Vitro (1995)

Abstract In this paper we describe a practical synthesis of 5-nitro-2′-deoxyuridine (4) and 1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-nitrouracil (11). These compounds were then evaluated for their ability to inhibit the growth of human cytomegalovirus (HCMV, strain AD169) in MRC-5 cells using a plaque reduction assay. Compound 11 was unable to inhibit the growth of HCMV at the highest concentration tested (100 μg/mL). However, compound 4 (5-NO2-dU) exhibited marginal activity against HCMV in vitro in a dose-dependent manner with a 50% inhibitory concentrations (IC50) of 1 to 5 μg/mL. Combinations of 5-NO2-dU with ganciclovir synergistically inhibited HCMV induced cell killing in culture.
Palladium(II) catalysts for living alternating copolymerization of olefins and carbon monoxide (1992)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPalladium(II) catalysts for living alternating copolymerization of olefins and carbon monoxideM. Brookhart, Francis C. Rix, J. M. DeSimone, and James C. BarborakCite this: J. Am. Chem. Soc. 1992, 114, 14, 5894–5895Publication Date (Print):July 1, 1992Publication History Published online1 May 2002Published inissue 1 July 1992https://pubs.acs.org/doi/10.1021/ja00040a082https://doi.org/10.1021/ja00040a082research-articleACS PublicationsRequest reuse permissionsArticle Views1238Altmetric-Citations255LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Suppression of Inversion Domains and Decrease of Threading Dislocations in Migration Enhanced Epitaxial GaN by RF-Molecular Beam Epitaxy (2000)

GaN epitaxial layers were grown with the migration-enhanced epitaxy (MEE) by molecular beam epitaxy using rf-plasma nitrogen. GaN films were directly grown on (0001) sapphire substrates without any buffer layers, varying the substrate nitridation time from 0 to 90 min. The inversion domain density was reduced by increasing the substrate nitridation time. Meanwhile, the room temperature (RT) mobility peaked at 45 min nitridation, with the value of 362 cm2/Vs at the carrier density of 1.7 × 1017 cm—3. The photoluminescence intensity also peaked at 20 min nitridation. The threading dislocation density of MEE-GaN was estimated to be 1.0 × 1010 cm—2 by the cross-sectional images of transmission electron microscope observation. The dislocation density of MEE-GaN was reduced remarkably by the insertion of the high-temperature grown AlN multiple intermediate layer (HT-AlN-MIL) and it was clearly observed that most dislocations were bent during passing through the HT-AlN-MIL. The dislocation density of MEE-GaN grown on HT-AlN-MIL was evaluated to be about 2.1 × 109 cm—2 by a selective photoelectrochemical (PEC) wet etching, as a result, the highest RT mobility of 668 cm2/Vs was achieved.
ChemInform Abstract: Group 7 Transition Metal Complexes with N‐Heterocyclic Carbenes (2013)

Abstract Review: 55 refs.
αSMA Expression in Large Colonies of Colony-Forming Units-Fibroblast as an Early Predictor of Bone Marrow MSC Expandability (2016)

Clinical applications of mesenchymal stromal cells (MSCs) require the manufacture of large cell lots, which involves multiple passages for cell expansion and sometimes genetic modification. MSCs from various sources, including bone marrow (BM), exhibit high donor-to-donor variability in their growth characteristics. This can lead to unpredictable manufacturing outcomes with respect to success or failure of individual lots. Early determination of lot success has the potential to reduce the cost and improve the efficiency of the MSC manufacturing process. However, methods that effectively predict lot growth potential early in the manufacturing process are currently lacking. Here we report that the growth potential of an MSC lot can be predicted a few days after BM plating based on α-smooth muscle actin (αSMA) protein expression in large colony-forming unit-fibroblast (CFU-f) colonies. The proposed prediction method could be a useful tool to prospectively determine MSC lot success or failure.
Deep-Learning-Aided Successive-Cancellation Decoding of Polar Codes (2019)

A deep-learning-aided successive-cancellation list (DL-SCL) decoding algorithm for polar codes is introduced with deep-learning-aided successive-cancellation (DL-SC) decoding being a specific case of it. The DL-SCL decoder works by allowing additional rounds of SCL decoding when the first SCL decoding attempt fails, using a novel bit-flipping metric. The proposed bit-flipping metric exploits the inherent relations between the information bits in polar codes that are represented by a correlation matrix. The correlation matrix is then optimized using emerging deep-learning techniques. Performance results on a polar code of length 128 with 64 information bits concatenated with a 24-bit cyclic redundancy check show that the proposed bit-flipping metric in the proposed DL-SCL decoder requires up to 66% fewer multiplications and up to 36% fewer additions, without any need to perform transcendental functions, and by providing almost the same error-correction performance in comparison with the state of the art.
Discovery of novel potent, cell-permeable inhibitors of P. falciparum cGMP-dependent protein kinase (2021)

ABSTRACT The discovery of new targets for treatment of malaria advanced with the demonstration that orally administered inhibitors of Plasmodium falciparum cGMP-dependent protein kinase (PfPKG) could clear infection in a murine model. This enthusiasm was tempered by unsatisfactory safety and/or pharmacokinetic issues found with these chemotypes. To address the urgent need for new scaffolds, we recently reported the discovery and optimization of novel, potent isoxazole-based PfPKG inhibitors that lacked any obvious safety warnings. This manuscript presents representative in vitro ADME, hERG characterization and cell-based antiparasitic activity of these PfPKG inhibitors. We also report the discovery and structure-activity relationships of a new series with good potency, low hERG activity and cell-based anti-parasitic activity comparable to a literature standard.
F-0815 Numerical Analysis of Blood Flow in A Left Ventricle shaped by 2 Chamber Modeling Method (2001)

A 2 chamber-modeling method is developed to reconstruct an anatomic model of left ventricle based on B-mode ultrasound images for three-dimensional numerical analysis of heart hemodynamics. On a basis of the method we developed previously which utilizes multiple planar B-mode images obtained by flapping the probe of echocardiography along the heart centerline, we have further modified it to base our geometric model merely on two mutually vertical B-mode images of left ventricle with consideration of clinical application. The new method enables the implementation of speedup in the computational modeling and is easy for both user and patient. Some preliminary results are presented.
Conception, synthèse et caractérisation de poly(2,7-carbazole)s et poly(indolo[3,2-B]carbazole)s pour des applications en électronique organique (2008)

Le développement récent de deux nouvelles classes de matériaux, les 2,7-carbazoles et les indolo[3,2 b]carbazoles, a ouvert la porte à de multiples applications. Nous nous sommes plus particulièrement intéressés aux polymères dérivés de ces structures pour une application dans le domaine des transistors organiques à effet de champ (TOEC) et des cellules photovoltaïques organiques (CPO). Les synthèses des premiers poly(indolo[3,2 b]carbazole)s ont permis de mieux comprendre les propriétés électroniques de cette classe de polymères. Des études électrochimiques ont permis de mieux comprendre le mécanisme de conduction des charges dans ces polymères. Par l’optimisation de la structure des monomères de 2,7 carbazole et d’indolo[3,2 b]carbazole, nous avons augmenté la solubilité et l’organisation structurale des polymères correspondants. L’optimisation des systèmes catalytiques de polymérisation nous a permis d’augmenter les masses molaires des polymères résultants. L’effet combiné de la masse molaire élevée et de l’organisation structurale a été étudié par TOEC. Dans une configuration optimale, une mobilité de 2.2 × 10-3 cm2.V-1.s-1 a été atteinte pour des poly(2,7-carbazole)s et de 2.3 × 10-2 cm2.V-1.s-1 pour des poly(indolo[3,2 b]carbazole)s.\nCes résultats prometteurs ont mené au développement de polymères pour les CPOs. Les structures des monomères développées pour les TEOCs ont été reprises. Seul le 2,7 carbazole portant une chaîne latérale spécifique (9-heptadécanyle) même à des polymères intéressants en CPO. L’ajout d’unités pauvres en électrons par copolymérisation a permis de réduire la largeur de bandes interdite de différents polymères. On obtient ainsi d’excellents candidats couvrant une vaste partie du spectre solaire (650 – 1200 nm) pour une collecte idéale des photons. Par des calculs de chimie quantique (DFT), les meilleurs candidats ont été choisis en fonction de la position du niveau énergétique HOMO et LUMO idéale pour les CPOs. L’ajustement des niveaux énergétique favorise un transfert optimal d’électrons du polymère à l’ester méthylique de l’acide [6,6]-phényl C61 butyrique (PCBM). Cette étude a démontré l’importance de la solubilité, des masses molaires, de la morphologie, des prédictions théoriques et surtout de l’organisation structurale des polymères dérivés du poly(2,7-carbazole) pour obtenir d’excellentes performances (5.8 % AM 1.5G, 1000 W.m-2) en cellules photovoltaïques.\n
Non-intuitive Computational Optimization of Illumination Patterns for Maximum Optical Force and Torque (2017)

This paper aims to maximize optical force and torque on arbitrary micro- and nano-scale objects using numerically optimized structured illumination. By developing a numerical framework for computer-automated design of 3d vector-field illumination, we demonstrate a 20-fold enhancement in optical torque per intensity over circularly polarized plane wave on a model plasmonic particle. The nonconvex optimization is efficiently performed by combining a compact cylindrical Bessel basis representation with a fast boundary element method and a standard derivative-free, local optimization algorithm. We analyze the optimization results for 2000 random initial configurations, discuss the tradeoff between robustness and enhancement, and compare the different effects of multipolar plasmon resonances on enhancing force and torque. All results are obtained using open-source computational software available online.