gebhart/patrepeval huggingface dataset:
Discovery of the Development Candidate N-tert-Butyl Nodulisporamide: A Safe and Efficacious Once Monthly Oral Agent for the Control of Fleas and Ticks on Companion Animals (2009)

Nodulisporic acid A (1) is a structurally complex fungal metabolite that exhibits systemic efficacy against fleas via modulation of an invertebrate specific glutamate-gated ion channel. In order to identify a nodulisporamide suitable for monthly oral dosing in dogs, a library of 335 nodulisporamides was examined in an artificial flea feeding system for intrinsic systemic potency as well as in a mouse/bedbug assay for systemic efficacy and safety. A cohort of 66 nodulisporamides were selected for evaluation in a dog/flea model; pharmacokinetic analysis correlated plasma levels with flea efficacy. These efforts resulted in the identification of the development candidate N-tert-butyl nodulisporamide (3) as a potent and efficacious once monthly oral agent for the control of fleas and ticks on dogs and cats which was directly compared to the topical agents fipronil and imidacloprid, with favorable results obtained. Multidose studies over 3 months confirmed the in vivo ectoparasiticidal efficacy and established that 3 lacked overt mammalian toxicity. Tissue distribution studies in mice using [(14)C]-labeled 3 indicate that adipose beds serve as ligand depots, contributing to the long terminal half-lives of these compounds.
Development of A Mobile Absolute Tilt Angle Measurement System Using High-Accuracy T-shaped MEMS Differential Resonant Accelerometer Module (2022)

We have developed a compact system for real-time absolute tilt angle measurement with high accuracy. The compact module of MEMS differential resonant accelerometer (DRA) that can achieve both high accuracy and wide dynamic range was utilized in the system. Using the prototype system, the tilt angle measurement with an estimated accuracy of less than 1 mdeg was realized.
Stimulation of topoisomerase II mediated DNA cleavage at specific sequence elements by the 2-nitroimidazole Ro 15-0216 (1990)

The effect of the 2-nitroimidazole Ro 15-0216 upon the interaction between purified topoisomerase II and its DNA substrate was investigated. The cleavage reaction in the presence of this DNA-nonintercalative drug took place with the hallmarks of a regular topoisomerase II mediated cleavage reaction, including covalent linkage of the enzyme to the cleaved DNA. In the presence of Ro 15-0216, topoisomerase II mediated cleavage was extensively stimulated at major cleavage sites of which only one existed in the 4363 base pair pBR322 molecule. The sites stimulated by Ro 15-0216 shared a pronounced sequence homology, indicating that a specific nucleotide sequence is crucial for the action of this drug. The effect of Ro 15-0216 thus differs from that of the clinically important topoisomerase II targeted agents such as mAMSA, VM26, and VP16, which enhance enzyme-mediated cleavage at a multiple number of sites. In contrast to the previous described drugs, Ro 15-0216 did not exert any inhibitory effect on the enzyme's catalytic activity. This observation might be ascribed to the low stability of the cleavage complexes formed in the presence of Ro 15-0216 as compared to the stability of the ones formed in the presence of traditional topoisomerase II targeted drugs.
1 High Performance Plasma Sputtered Fuel Cell Electrodes with Ultra Low catalytic metal Loadings (2015)

Ultra-low Pt content PEMFC electrodes have been manufactured using magnetron co-sputtering of carbon and platinum on a commercial E-Tek _ uncatalyzed gas diffusion layer in plasma fuel cell deposition devices. Pt loadings lower than 0.01 mg cm-2 have been realized. The Pt catalyst is dispersed as small clusters with size less than 2 nm over a depth of 500 nm. PEMFC test with symmetric electrodes loaded with 0.01 mg cm-2 led to maximum reproducible power densities as high as 0.4 Wcm-2 with Nafion 212. Replacement of platinum was also realized by preparing MEAs composed of 0.01 mgPd cm-2 for the anode and 0.01 mgPd cm-2 + 0.001 mgPt cm-2 for the cathode and Nafion 212 membrane. Power density as high as 250 mW cm-2 were achieved at 80°C, which corresponds to a specific power density of 250 kW gPt
Optical Forces in Microphotonic Waveguides (2005)

We calculate forces caused by light traveling in microphotonic waveguides. Both attractive and repulsive forces result from overlapping waveguide modes. Slow light enhancement in photonic-crystal structures is shown to further magnify force values.
Laser induced fluorescence spectroscopy in a nanoparticle forming plasma (2018)

International audience
Using partitioning to help convergence in the standard-cell design automation methodology (1999)

This paper explores a standard-cell design methodology based on netlist partitioning as a solution for the problem of lack of convergence in the conventional methodology in deep submicron technologies.
Electron spin resonance of doped chalcogenide nanotubes (2003)

$X$-band ESR of lithium doped ${\mathrm{MoS}}_{2}$ nanotubes is reported for temperatures between room temperature and 4 K. Two distinct ESR components were observed: a narrow component with a linewidth of about 4 G and a broad component with a linewidth of more than 800 G. The broad ESR component is attributed to Mo d-orbital-derived conducting band of ${\mathrm{MoS}}_{2}$ nanotubes. The large weakly temperature-dependent ESR spin susceptibility of charged ${\mathrm{MoS}}_{2}$ nanotubes is thought to reflect strong electronic correlations and one-dimensional electronic structure with the presence of van Hove singularities in the density of states. The broad ESR component is discussed in terms of conducting electrons coupled to defects and in terms of random-exchange Mo Heisenberg chain model. The narrow component is suggested to be due to the formation of small spin clusters.
A novel site-specific interference analysis model for Wireless Personal Area Network (2010)

This paper presents a novel site-specific interference analysis model for Wireless Personal Area Network. This model not only provides accuracy rather than the stochastic model, but also computationally efficient prediction compared to the Monte-Carlo (MC) simulation using the ray tracing algorithm. It can be considered when the interference issues are arisen in indoor Wireless Personal Area Network (WPAN) at power point of view. In the proposed model, the concept of mean free distance as a site-specific parameter is employed using geometric optics and geometric probability to take into account configuration of environment. As a result, a closed-form expression to obtain the average interference power and the mean free distance as a site-specific parameter at the two different indoor scenarios are derived. The proposed model has been validated by comparing Signal-to-Interference-Noise-Ratio (SINR) with those of calculated result from stochastic model and MC simulation using ray-tracing. This reveals its better ability to predict interference power than conventional stochastic model and shows faster computation speed than MC simulation.
Tailoring Extremely Narrow FWHM in Hypsochromic and Bathochromic Shift of Polycyclo‐Heteraborin MR‐TADF Materials for High‐Performance OLEDs (2023)

Abstract Developing double boron‐based emitters with extremely narrow band spectrum and high efficiency in organic light‐emitting diodes (OLEDs) is crucial and challenging. Herein, we report two materials, NO‐DBMR and Cz‐DBMR , hinge on polycyclic heteraborin skeletons based on role‐play of the highest occupied molecular orbital (HOMO) energy levels. The NO‐DBMR contains an oxygen atom, whereas the Cz‐DBMR has a carbazole core in the double boron‐embedded ν‐DABNA structure. The synthesized materials resulted in an unsymmetrical pattern for NO‐DBMR and surprisingly a symmetrical pattern for Cz‐DBMR . Consequently, both materials showed extremely narrow full width at half maximum (FWHM) of 14 nm in hypsochromic (pure blue) and bathochromic (Bluish green) shifted emission without losing their high color fidelity. Furthermore, both materials show high photoluminescence quantum yield (PLQY) of over 82 %, and an extremely small singlet‐triplet energy gap (Δ E ST ) of 0.04 eV, resulting in high reverse intersystem crossing process ( k RISC ) of 10 5 s −1 . Due to the efficient thermally activated delayed fluorescence (TADF) characteristics, the fabricated OLEDs based on these heteraborins manifested maximum external quantum efficiency (EQE max ) of 33.7 and 29.8 % for NO‐DBMR and Cz‐DBMR , respectively. This is the first work reported with this type of strategy for achieving an extremely narrow emission spectrum in hypsochromic and bathochromic shifted emissions with a similar molecular skeleton.
Supplemental Data 2 from Adoptive Transfer of Autologous T Cells Improves T-cell Repertoire Diversity and Long-term B-cell Function in Pediatric Patients with Neuroblastoma (2023)

&lt;p&gt;Representative flow cytometry plots&lt;/p&gt;
Simulation Meets Experiment: Unraveling the Properties of Water in Metal–Organic Frameworks through Vibrational Spectroscopy (2021)

In nanoporous materials, host–guest interactions affect the properties and function of both adsorbent and adsorbate molecules. Because of their structural and chemical diversity, metal–organic frameworks (MOFs), a common class of nanoporous materials, have been shown to be able to efficiently and, often, selectively adsorb various types of guest molecules. In this study, we characterize the structure and dynamics of water confined in ZIF-90. Through the integration of experimental and computational infrared (IR) spectroscopy, we probe the structure of heavy water (D2O) adsorbed in the pores, disentangling the fundamental framework–water and water–water interactions. The experimental IR spectrum of D2O in ZIF-90 displays a blue-shifted OD-stretch band compared to that of liquid D2O. The analysis of the IR spectra simulated at both classical and quantum levels indicates that the D2O molecules preferentially interact with the carbonyl groups of the framework and highlights the importance of including nuclear quantum effects and taking into account Fermi resonances for a correct interpretation of the OD-stretch band in terms of the underlying hydrogen-bonding motifs. Through a systematic comparison with the experimental spectra, we demonstrate that computational spectroscopy can be used to gain quantitative, molecular-level insights into framework–water interactions that determine the water adsorption capacity of MOFs as well as the spatial arrangements of the water molecules inside the MOF pores which, in turn, are key to the design of MOF-based materials for water harvesting.
Roscovitine sensitizes leukemia and lymphoma cells to tumor necrosis factor-related apoptosis-inducing ligand-induced apoptosis (2012)

Tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) is a death ligand with selective antitumor activity. However, many primary tumors are TRAIL resistant. Previous studies reported that roscovitine, a cyclin-dependent kinase inhibitor, sensitized various solid cancer cells to TRAIL. We show that roscovitine and TRAIL demonstrate synergistic cytotoxicity in hematologic malignant cell lines and primary cells. Pretreatment of TRAIL-resistant leukemia cells with roscovitine induced enhanced cleavage of death-inducing signaling complex-bound proximal caspases after exposure to TRAIL. We observed increased levels of both pro- and antiapoptotic BCL-2 proteins at the mitochondria following exposure to roscovitine. These results suggest that roscovitine induces priming of cancer cells for death by binding antiapoptotic BCL-2 proteins to proapoptotic BH3-only proteins at the mitochondria, thereby decreasing the threshold for diverse proapoptotic stimuli. We propose that the mitochondrial priming and enhanced processing of apical caspases represent major molecular mechanisms of roscovitine-induced sensitization to TRAIL in leukemia/lymphoma cells.
ChemInform Abstract: Enkephalin‐Based Drug Design: Conformational Analysis of O‐Linked Glycopeptides by NMR and Molecular Modeling. (2000)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Performance Analysis of LoRa-Backscatter Communication System in AWGN Channels (2021)

Future wireless networks are evolving towards enabling reliable communications for miniature-sized and resource-constrained Internet of things (IoT) devices, imposing stringent requirements on the future mobile networks. These requirements include low cost, ultra-low latency, improved spectral and energy efficiencies, higher reliability, and enhanced data rate. Motivated by the fact that these devices have limited capabilities and might be in inaccessible places, which make battery replacement or recharging a challenging task, energy-efficient solutions are required to ensure uninterrupted and seamless wireless communications for power-limited IoT devices. In this paper, we propose a framework for Long Range (LoRa)-enhanced backscatter communications (BackCom). In particular, we present error-rate performance analysis of the underlying system over additive white Gaussian noise (AWGN) channels. Also, simulation results are presented in order to validate the analytical framework, and to give useful insights into the error rate performance of LoRa-BackCom over AWGN channels.
Joint 3D Source-side Deghosting and Designature for Modern Air-gun Arrays (2015)

Summary Receiver deghosting has been widely used to extend the bandwidth of marine seismic data. Efforts have also been made to remove the source ghost and signature to further maximize the bandwidth of the acquired seismic data. We present an inversion scheme for angle-dependent source deghosting and designature that honours modern complex air-gun array geometry. Using both a synthetic ocean bottom node data set and a field streamer data set acquired with a multi-level source, we demonstrate that our method effectively removes source ghost and signature either separately or jointly. The resulting images have a wider bandwidth.
Performance of two prognostic scores that incorporate genetic information to predict long‐term outcomes following resection of colorectal cancer liver metastases: An external validation of the MD Anderson and JHH‐MSK scores (2021)

In conclusion, using the largest and most heterogenous population of CRLM patients with known KRAS status, this independent, external validation demonstrated that the GAME score outperforms both the traditional Fong score and mCRS.
Genetic characterization of an adapted pandemic 2009 H1N1 influenza virus that reveals improved replication rates in human lung epithelial cells (2016)

The 2009 influenza pandemic originated from a swine-origin H1N1 virus, which, although less pathogenic than anticipated, may acquire additional virulence-associated mutations in the future. To estimate the potential risk, we sequentially passaged the isolate A/Hamburg/04/2009 in A549 human lung epithelial cells. After passage 6, we observed a 100-fold increased replication rate. High-throughput sequencing of viral gene segments identified five dominant mutations, whose contribution to the enhanced growth was analyzed by reverse genetics. The increased replication rate was pinpointed to two mutations within the hemagglutinin (HA) gene segment (HA1 D130E, HA2 I91L), near the receptor binding site and the stem domain. The adapted virus also replicated more efficiently in mice in vivo. Enhanced replication rate correlated with increased fusion pH of the HA protein and a decrease in receptor affinity. Our data might be relevant for surveillance of pre-pandemic strains and development of high titer cell culture strains for vaccine production.
Gain-Flattened Optical Limiting Amplifier Modules for Wavelength Division Multiplexing Transmission (1999)

By integration of a bidirectional erbium-doped fiber amplifier and a three-port optical circulator with several fiber Bragg gratings (FBGs), two gain-flattened optical limiting amplifier (OLA) modules are proposed and experimentally demonstrated. They rely on the use of central wavelength misalignment and bending loss methods, respectively. They can effectively cover the whole useful 1.55-mum band. Both modules can provide gain-flattening characteristics over a large input dynamic range. The FBGs integrated OLA configuration has potential application in wavelength division multiplexing lightwave communication systems.
Abstract 2098: Twist Fast Hybridization targeted methylation sequencing: a tunable target enrichment solution for methylation detection (2021)

Abstract DNA methylation is a genetic occurrence that plays a principal role in the epigenetic regulation of gene expression. Genome wide association studies (GWAS) have linked differential methylation patterns, especially at cytosines in CpG context, to disease states like cancer and obesity. Well-known chemical and enzymatic techniques are available to detect the methylation state of cytosines throughout the genome. With Next-Generation Sequencing (NGS) becoming increasingly affordable and high-throughput, methylation sequencing has become a popular and accessible approach for disease detection. Correspondingly, there is an increasing demand for targeted methylation sequencing techniques that enrich for CpG-rich genomic regions of interest. Such techniques have historically been inefficient due to the reduced sequence complexity caused by bisulfite or enzymatic library preparation methods. These methods involve the conversion of unmethylated cytosines to uracils, subsequently resulting in thymines after PCR amplification, and inherently increase similarities between library sequences in a given population. This effect causes issues with specificity during hybrid capture since baits and targets with repetitive sub-sequences can incidentally hybridize to non-targeted molecules during capture. In this poster, we present the Twist Targeted Methylation Sequencing Product, an end-to-end solution for preparing methyl-seq libraries and performing in-solution hybrid capture. We demonstrate benefits of using the NEBNext Enzymatic Methyl-seq Methylation Library Preparation protocol in our system, compared to traditional bisulfite treatment, and discuss approaches that were taken to maximize target enrichment specificity and uniformity. First, we introduce Twist's custom panel design approach, which leverages Twist's oligo manufacturing capabilities and uses predictive methods to remove probes most likely to cause poor capture performance. Second, we present methylation-specific Twist Fast Hybridization Target Enrichment protocol tunability, showing how FastHyb Wash Buffer 1 temperature and hybridization time can be used to manipulate performance metrics. Third, we introduce Twist's Methylation Enhancer, a novel blocker set that has shown to alleviate capture specificity issues across a wide range of methylation panels. Together, the data in this study showcase the Twist Targeted Methylation Sequencing Product as an efficient and flexible solution for custom methylation detection. Citation Format: Brenton I. Graham, Leonardo Arbiza, Kristin Butcher, Siyuan Chen, Richard Gantt, Sabina Gude, Rebecca Nugent, Christina Thompson, Ramsey Zeitoun. Twist Fast Hybridization targeted methylation sequencing: a tunable target enrichment solution for methylation detection [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2021; 2021 Apr 10-15 and May 17-21. Philadelphia (PA): AACR; Cancer Res 2021;81(13_Suppl):Abstract nr 2098.
ChemInform Abstract: Three‐Membered Ring Systems (2014)

Abstract Review: advances in the synthesis and reactions of epoxides and aziridines published i2012; 143 refs.
Towards a Simplified Electrochemical Method of Assessing Cations Transference Numbers of Electrolytes (2022)

A simplified method is presented to extract the transport parameters of a liquid electrolyte solution from an experiment in a four-electrode cell. By observing that both polarisation and relaxation tend exponentially to a finite value with the same time constant, it becomes possible to precisely evaluate the limiting voltage attained upon polarisation though no steady state can be reached in practice, and use this input to evaluate the cation transference number as a function of the thermodynamic factor. This procedure simplifies the data analysis by avoiding complete fitting of the polarisation with a complicated numerical model. Such approach can favour the deployment of the four-electrode method to evaluate electrolyte transport parameters, which are crucial for the development of better performing batteries.
Polymer laminates for high energy density and low loss (2016)

In this study, we investigate the effect of added interfaces on the dielectric and breakdown response of polyvinylidene fluoride polymer (PVDF). Multilayer laminates (1 through 4 layers) of PVDF are fabricated using hot pressing. A series of electrical characterization techniques including high voltage breakdown, dielectric spectroscopy and impedance spectroscopy, show the effect of interfacial elements on dielectric breakdown strength (displaying an 18% increase from a 1-layer to 3-layer structure) and dielectric permittivity (increasing 10% from 1- to 4-layers). Equivalent circuit modeling of impedance data is used to characterize the effect of laminated interfaces at low frequencies (10 mHz) and elevated temperatures (70 °C). Results suggest capacitive circuit elements in addition to a Debye like bulk model are necessary to describe space charge polarizations observed in multilayered structures. Better understanding the effect of added interfaces on charge transport in all organic laminates will provide insight into conduction through organic dielectric media, and offer insight into improving energy density and mitigating loss in high energy storage applications.
Current and emerging drugs for interstitial cystitis/bladder pain syndrome (IC/BPS) (2015)

Current therapies often fail to control the symptoms of IC/BPS. Several interventions including sustained drug release and retaining techniques, and drugs that act on afferent neural pathways are emerging and may be promising. In addition, phenotyping of IC/BPS patients based on cystoscopic findings (e.g., Hunner vs. non-Hunner lesion) or patients' symptoms would be important for further investigation of IC/BPS etiology and the evaluation of efficacy of new treatments.
Potential Cardiovascular Health Benefits of Procyanidins Present in Chocolate and Cocoa (2000)

Recent epidemiological research indicates that diets rich in flavonoid-containing foods may be associated with a reduced risk for cardiovascular disease. This protective effect is attributed, in part, to the ability of flavonoids to act as antioxidants. Certain chocolates and cocoas contain substantial amounts of procyanidins, and thus belong in the category of flavonoid-rich foods. Recent advancements in the identification and isolation of procyanidins, especially oligomeric procyanidins, from chocolate and cocoa have facilitated the investigation of individual procyanidin fractions with regard to their potential cardiovascular health benefits. In the following paper, we report on the antioxidant capacity of a cocoa as determined by the Oxygen Radical Absorbance Capacity (ORAC) assay, and the ability of individual procyanidin fractions from this same cocoa to inhibit low-density lipoprotein (LDL) oxidation in vitro. In addition, mechanisms are discussed by which flavonoids in chocolate and cocoa may enhance cardiovascular health.