gebhart/patrepeval huggingface dataset:
A small-molecule fusion inhibitor of influenza virus is orally active in mice (2019)

Recent characterization of broadly neutralizing antibodies (bnAbs) against influenza virus identified the conserved hemagglutinin (HA) stem as a target for development of universal vaccines and therapeutics. Although several stem bnAbs are being evaluated in clinical trials, antibodies are generally unsuited for oral delivery. Guided by structural knowledge of the interactions and mechanism of anti-stem bnAb CR6261, we selected and optimized small molecules that mimic the bnAb functionality. Our lead compound neutralizes influenza A group 1 viruses by inhibiting HA-mediated fusion in vitro, protects mice against lethal and sublethal influenza challenge after oral administration, and effectively neutralizes virus infection in reconstituted three-dimensional cell culture of fully differentiated human bronchial epithelial cells. Cocrystal structures with H1 and H5 HAs reveal that the lead compound recapitulates the bnAb hotspot interactions.
Surfactants in ink-jet inks (2020)

This chapter presents a brief overview of the use of surfactants in inks for ink-jet printing. It aims to provide the reader with a short, self-consistent and pedagogically balanced introduction to this highly technical but, at the same time, largely empirical subject. The adsorption of surfactant at the liquid/vapour interface leads to a reduction in the surface tension of the solution in accordance with the Gibbs law. However, the Gibbs law applies to equilibrium systems. The dynamics of surface tension relaxation can be described in the framework of a diffusion-controlled adsorption model. The model uses the so-called surface-subsurface concept, assuming that the adsorbate is transported by diffusion to a thin interfacial region, called the subsurface, which constantly is in equilibrium with the surface. To describe this equilibrium, an appropriate adsorption isotherm should be used. Different surfactants have different surface tension relaxation dynamics.
Hammett ρ of Reactions of MeLi with Benzophenones (2002)

Relative rates of reactions of MeLi with benzophenones in diethyl ether at 0 degrees C that furnish methyldiarylmethanols were determined using slow addition of a MeLi solution to solutions containing an excess of two benzophenones. The additions exhibit a Hammett rho of 0.94.
First pass intestinal and liver metabolism of paracetamol in a microfluidic platform coupled with a mathematical modeling as a means of evaluating ADME processes in humans (2014)

We developed a microfluidic platform to investigate paracetamol intestinal and liver first pass metabolism. This approach was coupled with a mathematical model to estimate intrinsic in vitro parameters and to predict in vivo processes. The kinetic modeling estimated the paracetamol and paracetamol sulfate permeabilities, the sulfate and glucuronide effluxes in the intestine compartment. Based on a gut model, we estimated intrinsic intestinal clearance of between 26 and 77 L/h for paracetamol in humans, a permeability of 10 L/h, and a gut availability between 0.17 and 0.53 (compared to 0.95-1 in vivo). The role played by the liver in paracetamol metabolism was estimated via in vitro intrinsic clearances of 7.6, 13.6, and 11.5 µL/min/10(6) cells for HepG2/C3a, rat primary hepatocytes, and human primary hepatocytes, respectively. Based on a parallel tube model to describe the liver, the paracetamol hepatic clearance, and the paracetamol hepatic availability in humans were estimated at 6.5 mL/min/kg of bodyweight (BDW) and 0.7, respectively (when compared to 5 mL/min/kg of BDW and 0.77 to 0.88 for in vivo values, respectively). The drug availability was predicted ranging between 0.24 and 0.41 (0.88 in vivo). The overall approach provided a first step in an integrated strategy combining in silico/in vitro methods based on microfluidic for evaluating drug absorption, distribution and metabolism processes.
Editor's evaluation: P2RY14 cAMP signaling regulates Schwann cell precursor self-renewal, proliferation, and nerve tumor initiation in a mouse model of neurofibromatosis (2021)

In a mouse model of neurofibromatosis type 1, the purinergic receptor P2RY14 is a key regulator of Schwann cell precursor self-renewal and proliferation, of neurofibroma tumor initiation and of mouse survival.
Modular and Chemically Responsive Oligonucleotide “Bonds” in Nanoparticle Superlattices* (2020)

In this chapter, the authors observe the reorganization of nanoparticle superlattices using time-resolved synchrotron small-angle X-ray scattering in systems with different DNA sequences, salt concentrations, and densities of DNA linkers on the surface of the nanoparticles. The agreement between bulk crystallization and the behavior of free oligonucleotides may bear important consequences for constructing novel classes of crystals and incorporating new interparticle bonds in a rational manner. DNA is a powerful ligand for programming the assembly of nanoparticles into superlattices with a vast number of crystallographic symmetries. Design rules for the synthesis of nanoparticle superlattices with a variety of crystallographic symmetries have been established, which allow one to independently adjust each of the relevant crystallographic parameters, including particle size, periodicity, and interparticle distance. Because these design rules are based upon explorations of DNA as the programmable ligand, one must first explore how the oligonucleotide bond identity affects the programmable assembly of nanoparticle superlattices.
thermostable GH26 mannan endo-1,4-β-mannosidase from Bacillus licheniformis in Escherichia coli (2010)

Background: Mannans are one of the key polymers in hemicellulose, a major component of lignocellulose. The Mannan endo-1,4-β-mannosidase or 1,4-β-D-mannanase (EC 3.2.1.78), commonly named β-mannanase, is an enzyme that can catalyze random hydrolysis of β-1,4-mannosidic linkages in the main chain of mannans, glucomannans and galactomannans. The enzyme has found a number of applications in different industries, including food, feed, pharmaceutical, pulp/paper industries, as well as gas well stimulation and pretreatment of lignocellulosic biomass for the production of second generation biofuel. Bacillus licheniformis is a Gram-positive endospore-forming microorganism that is generally non-pathogenic and has been used extensively for large-scale industrial production of various enzymes; however, there has been no previous report on the cloning and expression of mannan endo-1,4-βmannosidase gene (manB) from B. licheniformis. Results: The mannan endo-1,4-β-mannosidase gene (manB), commonly known as β-mannanase, from Bacillus licheniformis strain DSM13 was cloned and overexpressed in Escherichia coli. The enzyme can be harvested from the cell lysate, periplasmic extract, or culture supernatant when using the pFLAG expression system. A total activity of approximately 50,000 units could be obtained from 1-l shake flask cultures. The recombinant enzyme was 6 × Histagged at its C-terminus, and could be purified by one-step immobilized metal affinity chromatography (IMAC) to apparent homogeneity. The specific activity of the purified enzyme when using locust bean gum as substrate was 1672 ± 96 units/mg. The optimal pH of the enzyme was between pH 6.0 - 7.0; whereas the optimal temperature was at 50 - 60°C. The recombinant β-mannanase was stable within pH 5 - 12 after incubation for 30 min at 50°C, and within pH 6 - 9 after incubation at 50°C for 24 h. The enzyme was stable at temperatures up to 50°C with a half-life time of activity (τ1/2) of approximately 80 h at 50°C and pH 6.0. Analysis of hydrolytic products by thin layer chromatography revealed that the main products from the bioconversion of locus bean gum and mannan were various manno-oligosaccharide products (M2 - M6) and mannose. Conclusion: Our study demonstrates an efficient expression and secretion system for the production of a relatively thermo- and alkali-stable recombinant β-mannanase from B. licheniformis strain DSM13, suitable for various biotechnological applications.
Two-Step Asymmetric Synthesis of Disubstituted N-Tosyl Aziridines Having 98−100% ee:  Use of a Phosphazene Base (2004)

Unknown diaryl (1-3) and alkyl-phenyl (4, 5) N-tosyl aziridines have been successfully synthesized from pure (R,R,R,S(S))-(-)-sulfonium salt derived from Eliel's oxathiane, tosylimines 11a-f, and using a phosphazene base (EtP(2)) to generate the ylide. Both cis and trans aziridines have exceptionally high enantiomeric purities (98.7-99.9%). The (2R,3R)-configuration of trans-3 and the (2R,3S)-configuration of cis-4 have been determined by X-ray analysis using the Bijvoet method. The R-configuration found at C2 is consistent with the model and all previous results, therefore all trans-aziridines and cis-aziridines have been assigned the (2R,3R)- and the (2R,3S)-configurations, respectively. This two-step asymmetric synthesis can be easily used on gram quantities and involves no unstable/hazardous reagent. The chiral auxiliary is used in a stoichiometric amount but is recovered in high yield and reused.
Abstract 5471: Peroxisome Proliferator-Activated Receptor-{gamma} Activation Reduces Inflammation in Atherosclerosis as Assessed by Serial In Vivo Fluorescence Molecular Imaging (2008)

Background: Although indirect evidence suggests that peroxisome proliferator-activated receptor (PPAR)-γ agonists modulate atherosclerosis, their effects have not been directly imaged, tracked, or ...
Catalyst Deactivation by Carbon Deposition: The Remarkable Case of Nickel Confined by Atomic Layer Deposition (2021)

Abstract In hydrocarbon reforming processes, coke formation on the catalyst usually reduces reaction rates. We show that when subjected to thermal treatment, a commercial nickel catalyst, overcoated with alumina, ALD exhibited both higher activity per g Ni and higher carbon formation rates than an uncoated catalyst. During the temperature‐programmed reaction in a CH 4 +CO 2 atmosphere, the uncoated catalyst deactivated rapidly from carbon buildup, but the overcoated catalyst displayed an increase in catalytic activity per g Ni, despite generating two times the surface carbon. The unexpected phenomenon was investigated via TEM/EDS, TGA/DSC, SEM, XRD and Raman spectroscopy. We hypothesize that this may be due to (a) formation of a thicker than expected ‘quasi‐ALD’ overcoat of amorphous alumina, (b) crystallization of ALD overcoat into nanofibers that act as secondary supports for migrating Ni, and (c) the ability of ALD overcoat to isolate carbon as carbon nano‐onions (CNOs).
Sadsbury Friends Meeting House, Simmontown Road, .25 миль к востоку от перекрестка 41, Кристиана, округ Фастер, Пенсильвания (1933)

Значение: Садсбери - один из самых ранних сохранившихся конференц-залов в долине Делауэр - является редким примером ранней формы конференц-залов. Квадратный план Сэдсбери и возвышенности бухты три на три с центрально расположенными антресолями на юго-востоке и юго-востоке - те самые дома для встреч, построенные в конце XIX - начале XVIII века в Филадельфии. Из них больше всего известно о здании 1703 года - Втором Банковском Собрании, внешний вид которого сохранился в эскизе. Как и Второй Банк Встречи Дом, Сэдсбери имеет антресоли на смежных сторонах и огражден хипстерской крышей. В сочетании с использованием двойных антресолей, неравномерно разделенный интерьер Садсбери наводит на мысль, что друзья Садсбери следовали английскому формату богослужения, когда они проектировали и строили свой дом собраний в 1747 году. В Англии, а также в период раннего расселения в долине Делауэр, как мужчины, так и женщины-квакеры собирались вместе в большей из комнат для поклонения. Необработанный материал для этой структуры: N823
Номер обследования: HABS PA-6651
Даты постройки: 1747 год
Даты постройки: 1903 год
Даты постройки: 1973 год Затем они разошлись по разным помещениям для деловой части встречи. Логические эффекты английской программы, как видно на примере Сэдсбери, проявляются в двух фасадах, а также в расположении перегородки, облицовочных скамеек и галереи. Сегодня, однако, облицовочные скамьи были перенесены, и галерея исчезла, так как сгорела еще в 1764 году. Видность галереи видна в мансардном пространстве.
Hybrid Organic-Inorganic Particle Technology: Breaking Through Traditional Barriers of HPLC Separations (2000)

Hybrid organic‐inorganic particles combine the best properties of silica — high efficiency and excellent mechanical strength — with the best properties of organic polymers — a wide pH stability range and reduced silanol effects. In this article, the authors describe reversed-phase HPLC packings based on hybrid particles and demonstrate the packing’s retention and selectivity characteristics. They also show that these media have long lifetimes at elevated temperatures under conditions at which conventional bonded silica fails rapidly. The benefits of operating at elevated temperatures are increased efficiency and reduced back pressure. When combined with short columns containing 2.5- mm hybrid particles, these conditions enable fast, high-resolution gradient separations, which are useful for high-throughput analyses.
An improved nuclear magnetic resonance diffusion coefficient imaging method using an optimized pulse sequence (1986)

Two-dimensional diffusion coefficient maps (images) of a carefully controlled diffusion phantom have been measured by a new diffusion imaging sequence using a 0.6-T whole-body nuclear magnetic resonance (NMR) scanner having a gradient field strength of 2.5 mT/m. The free induction decay (FID) data for the diffusion coefficient images were collected by varying the duration of the readout gradient in the conventional two-dimensional Fourier imaging sequence. The experimental results obtained by the proposed NMR diffusion measurement technique indicate a close agreement with other previous measurements. The selection of optimum spin-echo time for maximum signal-to-noise ratio (SNR) in diffusion imaging is studied and also experimentally confirmed. Finally, a preclinical study with human volunteers has been performed and results are presented.
Solid Electrolytes and Photoelectrolysis (1974)

Abstract : Three classes of cubic skeleton structures are explored for fast Na+- ion transport for use as solid electrolytes in Na-S batteries. The cubic KSbO3 structure consists of an (SbO3)- skeleton having tunnels intersecting at origin and body-center positions. NaSbO3 and NaSbO3.(1/6) NaF disks of ca. 95 percent theoretical density give a Na+-ion resistivity at 300C of rho 300 approximately equal 13 ohm-cm and an activation energy E sub a approximately equal 0.35 eV. Preliminary investigations of alumino-silicates having the carnegieite structure show promise, but a rho 300 approximately equal 610 ohm-cm is the best that has been achieved to date. The authors investigated the use of inexpensive, n-type hot-pressed TiO2 powders as the working photocatalytic electrode for achieving photoelectrolysis of water. TiO2 was selected because it is the lowest gap n-type semiconductor that, under illumination at an interface with water, evolves O2 and does not decompose. A study of the physics and electrochemistry of a photoelectrolysis cell consisting of TiO2 as the anode and platinized-platinum as the cathode led to an optimization of the parameters of the system.
Aqueous Batteries: Dual Anion–Cation Reversible Insertion in a Bipyridinium–Diamide Triad as the Negative Electrode for Aqueous Batteries (Adv. Energy Mater. 8/2018) (2018)

In article number 1701988, Joël Gaubicher, Philippe Poizot, Fabrice Odobel and co-workers report the first ever battery material that works with simultaneous uptake and release of both cations and anions. This represents one of a new family of organic electrode materials that shows great promise, thereby promoting the design of cutting-edge, low-cost, rocking-chair dual-ion aqueous batteries.
Cyclic spectrum reconstruction and cyclostationary detection from sub-Nyquist samples (2013)

In the context of Cognitive Radio (CR), opportunistic transmissions can exploit temporarily vacant spectral bands. Efficient and reliable spectrum sensing is a key in the CR process. CR receivers traditionally deal with wideband signals with high Nyquist rates and low Signal to Noise Ratios (SNRs). Thus, in this paper, we propose sub-Nyquist sampling and cyclostationary detection, which is robust to noise. We first reconstruct the cyclic spectrum or Spectral Correlation Function (SCF) of the signal, which is a characteristic function of cyclostationary signals such as communication signals, from sub-Nyquist samples and then perform detection. We consider both sparse and non sparse signals as well as blind and non blind detection in the sparse case. For each one of those scenarii, we derive the minimal sampling rate allowing for perfect reconstruction of the signal's SCF in a noise-free environment and provide SCF recovery techniques. In the simulations, we show SCF recovery at the minimal rate in noise-free settings as well as the performance of our detector in the presence of noise.
Evaluation of the Dose-Dependent Inflammatory Response and No-Observable Adverse Effect Level of Intravitreal Endotoxin in the African Green Monkey (2022)

Validation of the ophthalmic inflammation scoring system enables application of the green monkey as a valuable translational model. Candidate therapeutics should be confirmed to have endotoxin levels below this threshold before safety testing in this species to enable interpretation of inflammation and minimize impact on animal welfare.
A distributed dynamic channel assignment method for a mixture of narrowband and broadband traffic in a cellular system (2000)

This paper proposes an autonomous distributed dynamic channel assignment method, considering a mixture of narrowband and broadband traffic processing in a multicarrier TDMA mobile communication system. As the first step, narrowband and broadband calls are considered, and the system in which the calls share the carrier [carrier-sharing (CS) method], and the system in which the calls use separate carriers [carrier partitioning (CP) method], are compared. For each method, a mathematical model is proposed for the blocking probability analysis in the dynamic channel assignment, based on the steady-state probability. Using the models, the range for which the CS method exhibits a better performance than the CP method is specified. A problem in the dynamic channel assignment in the CS method is that the transmission quality of the broadband call may be degraded by interference from a narrowband call. In order to overcome such a problem, a method is proposed where the suppression of the leftovers of nonavailable channels for assignment, the multicarrier modulation using frequency hopping, the reallocation connection of calls, the variable-rate transmission connection, and the retry-type hand-off are combined. It is verified by computer simulation that the proposed method exhibits a performance which is better than that of the conventional method. © 2000 Scripta Technica, Electron Comm Jpn Pt 1, 83(11): 85–94, 2000
Dynamic Workflow Composition (2005)

The advent of Web services has made automated workflow composition relevant to Web-based applications. One technique that has received some attention for automatically composing workflows is AI-based classical planning. However, workflows generated by classical planning algorithms suffer from the paradoxical assumption of deterministic behavior of Web services, then requiring the additional overhead of execution monitoring to recover from unexpected behavior of services due to service failures, and the dynamic nature of real-world environments. To address these concerns, we propose using Markov decision processes (MDPs) to model workflow composition. To account for the uncertainty over the true environmental model, and for dynamic environments, we interleave MDP-based workflow generation and Bayesian model learning. Consequently, our method models both the inherent stochastic nature of Web services and the dynamic nature of the environment. Our algorithm produces workflows that are robust to non-deterministic behaviors of Web services and that adapt to a changing environment. We use a supply chain scenario to demonstrate our method and provide empirical results.
The physiological and pathological effects of cytokines : from the proceedings of the Second International Workshop on Cytokines, held at Hilton Head Island, South Carolina, December 10-14, 1989 (1990)

SECTION I: Measurement of Cytokines in Humans SECTION II: Cytokines and Inflammation SECTION III: Cytokines and Cardiovascular System SECTION IV: Neuroendocrine/Cytokine Interactions SECTION V: Cytokine/Prostaglandin Interactions SECTION VI: Cytokines and Resistance to Infection SECTION VII: Inhibitors of Cytokine Action.
A Sequential Valve-Microtrap Injection System for Continuous, On-Line Gas Chromatographic Analysis at Trace Levels (1995)

An injection system consisting of a multiport gas sampling valve in series with a micro sorbent trap is developed for continuous monitoring of low concentration gaseous streams. A large sample volume is injected from the valve into the microtrap where the analytes are trapped. The microtrap is then electrically heated to generate a “desorption pulse” of analyte, which serves as an injection for the gas chromatographic separation. The valve and microtrap injections are synchronized. The microtrap has low thermal mass with a short heating-cooling cycle, and injections can be made every few seconds. The fast response time of this injection system allows it to be used in continuous monitoring applications. Samples as large as 40 mL are injected into a capillary column using this injection system to obtain low detection limits while maintaining high resolution.
Semi-supervised Monitoring of Laser powder bed fusion process based on acoustic emissions (2021)

Metal-based Laser Powder Bed Fusion (LPBF) suffers from a lack of repeatability and is challenging to model, making their quality monitoring essential and demanding. The reason lies in the high dynamics taking place during the interaction of the laser with metallic powders. To bring this technology to mass production, industries are only interested in the process regime where the built layer's quality meets their standards. All other process regimes leading to poor mechanical properties and/or defect formation such as balling, Lack of Fusion (LoF) pores, keyhole pores, delamination, and crack propagation irrespective of their different regimes are considered anomalies. Today, the common methodology for monitoring uses conventional/supervised Machine Learning (ML) algorithms for the classification task. However, it requires collecting a balanced dataset corresponding to each investigated regime from the sensors, which is very expensive and time-consuming. As an alternative, the article proposes a semi-supervised approach where the defect-free regime can be differentiated from the anomalies by familiarising the ML algorithms only with the distribution of acoustic signatures corresponding to the defect-free regime. This work presents two generative Convolutional Neural Network architectures based on Variational Auto-Encoder and General Adversarial Network. As a result, we could classify the anomaly regimes with 96 and 97% accuracy, respectively.
Guest Editorial Special Issue on Neural Networks for Feedback Control Systems (2007)

The twenty-two papers in this special issue are devoted to neural networks for feedback control systems. Covers some of the following topics: reinforcement learning; applications; neurocontrol systems; discrete time systems; and network architectures and training methods.