gebhart/patrepeval huggingface dataset:
A New β-Naphthylamide Substrate of p-Guanidino-L-Phenylalanine for Trypsin and Related Enzymes (1985)

N alpha-Benzyloxycarbonyl-p-guanidino-L-phenylalanine beta-naphthylamide (Z-GPA-beta NA) was synthesized and the susceptibility of this compound to trypsin and related enzymes was compared with that of N alpha-benzyloxycarbonyl-L-arginine beta-naphthylamide (Z-Arg-beta NA). Both Z-GPA-beta NA and Z-Arg-beta NA were rapidly and almost completely hydrolyzed by trypsin and pronase. Z-Arg-beta NA was hydrolyzed slowly by thrombin, while Z-GPA-beta NA was not susceptible to this enzyme at all. The rate of hydrolysis of Z-GPA-beta NA by papain was slower than that of Z-Arg-beta NA. Neither beta-naphthylamide substrate was hydrolyzed by alpha-chymotrypsin. The specificity constant (kcat/Km) for the hydrolysis of Z-GPA-beta NA by trypsin was somewhat larger than that for the hydrolysis of Z-Arg-beta NA. Contributions of the benzene ring in the side chain of Z-GPA-beta NA to good binding of this substrate to the specificity site of this enzyme and to the poor fit of the scissile bond in the substrate molecule to the active serine residue are presumed from comparison of the individual kinetic parameters (Km and kcat) for the two beta-naphthylamide substrates. Z-GPA-beta NA was ascertained to be a useful substrate in the study of the binding and catalytic specificities of various trypsin-like enzymes.
Self-Learning Control Algorithms for Energy Systems Integration in the Residential Building Sector (2019)

This paper provides a research plan focusing on the application of self-learning techniques for energy systems integration in the residential building sector. Demand response is becoming increasingly important in the evolution of the power grid since demand no longer necessarily determines system supply but is now more closely constrained by generation profiles. Demand response can offer energy flexibility services across wholesale and balancing markets. Different applications have focused on the Internet of Things in demand response to assist customers, aggregators and utility companies to manage the energy consumption and energy usage through the adjustment of consumer behaviour. Even though there is extensive work in the literature regarding the potential of the commercial and the residential building sectors to provide flexibility, to date there is no standardised framework to evaluate this flexibility in a customer-tailored way. At the same time, demand response events may affect occupant comfort expectations hindering the utilisation of flexibility that building energy systems can provide. In this research, the integration of machine learning algorithms into building control systems is investigated, in order to unify the monitoring and control of the separate systems under a holistic approach. This will allow the operation of the systems to be optimised with respect to reducing their energy consumption and their environmental footprint in tandem with the maximisation of flexibility, while maintaining occupant comfort.
Use of mifepristone as an example of conflicting and misleading medical information on the internet (2002)

Objective To evaluate the accuracy and reliability of medical information available on the internet regarding medical abortion using mifepristone, with special emphasis on the possible bias of the internet websites providing the information. Methods A systematic search of the internet identified patient-oriented websites distributing medical information about mifepristone. The sites were divided into three groups according to their views of the drug (i.e. in favour, against or indifferent). Results Forty sites met the criteria for inclusion in our analysis: 15 sites (37.5%) were in favour of using mifepristone, 16 (40%) were against and nine (22.5%) were indifferent. Incorrect information, found in 12 sites (30%), was significantly more common (P < 0.006) in websites that opposed the use of mifepristone than in websites that favoured it, 56.3% and 6.7%, respectively. Websites against the use of mifepristone provided significantly more (P < 0.05) graphic descriptions (31.3%vs 0%) and significantly fewer (P < 0.03) links (18.8%vs 60%), than the sites in favour of the use of mifepristone. Conclusions We found that information provided on the internet regarding the use of mifepristone was significantly less complete and accurate and included more graphic descriptions when the site opposed medical termination of pregnancy. These findings reinforce the concerns regarding the reliability and credibility of medical information on the internet and the need for quality control.
Transition metal carboxylate coordination polymers with amide-bridged polypyridine co-ligands: assemblies and properties (2015)

Coordination polymers (CPs) can be formed by the self-assembly of metal ions and one kind of ligand or mixed ligands. Carboxylate anions have been extensively utilized to construct metal–organic CPs with diverse structures and topologies as well as versatile properties. The introduction of neutral nitrogen-donor co-ligands in such metal carboxylate system is an effective strategy for tuning the architectures and functionalities of metal–organic CPs. As a family of neutral nitrogen-donor co-ligands, amide-bridged polypyridine compounds have been introduced into such metal carboxylate system in the past decade. A large number of metal–organic CPs derived from the mixed ligands of carboxylate and amide-bridged polypyridine have been reported. Therefore, we present the recent developments of transition metal carboxylate CPs with amide-bridged polypyridine co-ligands in this highlight. We summarize their syntheses, structures, architectural influence factors and properties in detail. Such highlight may play a significant role in the rational design and construction of amide-bridged polypyridine-based transition metal carboxylate CPs with structure-dependent properties.
Effect of aminobisphosphonated copolymer on the thermal stability and flammability of poly(methyl methacrylate) (2011)

Abstract Methyl methacrylate was copolymerized with propyl N , N ‐tetramethylbis(phosphonate)‐bis(methylene)aminemethyl methacrylate (MAC 3 NP 2 ). The thermal degradation and flammability of this modified poly(methyl methacrylate) (PMMA) were compared with those of pure PMMA using thermogravimetric analysis (TGA) and pyrolysis combustion flow calorimetry (PCFC). The morphology of char was investigated using scanning electron microscopy and the yield of phosphorus using energy‐dispersive X‐ray analysis. The gases evolved during degradation in TGA were analysed using Fourier transform infrared spectroscopy. The total heat release and heat release capacity of the reactively modified PMMA are reduced, as compared to pure PMMA. The modified PMMA presents a better thermal stability (above 290 °C) than pure PMMA and leads to an important char formation. A comparison among TGA, PCFC and the amount of phosphorus in the condensed phase gives useful information about the role of phosphorus in the flame retardancy of the copolymer. The result reveals the effect of phosphorus not only in the condensed phase but also in the vapour phase. Copyright © 2011 Society of Chemical Industry
Reactor Design and Optimization of α-Amino Ester Hydrolase- Catalyzed Synthesis of Cephalexin (2022)

Pharmaceutical production quality has recently been a focus for improvement through incorporation of end-to-end continuous processing. Enzymatic <i>ß</i>-lactam antibiotic synthesis has been one focus for continuous manufacturing, and α-amino ester hydrolases (AEHs) are currently being explored for use in the synthesis of cephalexin due to their high reactivity and selectivity. In this study, several reactors were simulated to determine how reactor type and configuration impacts reactant conversion, fractional yield toward cephalexin, and volumetric productivity for AEH-catalyzed cephalexin synthesis. The primary reactor configurations studied are single reactors including a continuous stirred-tank reactor (CSTR) and plug flow reactor (PFR) as well as two CSTRS and a CSTR + PFR in series. Substrate concentrations fed to the reactors as well as enzyme concentration in the reactor were varied. The presence of substrate inhibition was found to have a negative impact on all reactor configurations studied. No reactor configuration simultaneously allowed high substrate conversion, high fractional yield, and high productivity; however, a single PFR was found to enable the highest substrate conversion with higher fractional yields than all other reactor configurations, by minimizing substrate inhibition. Finally, to further demonstrate the impact of substrate inhibition, an AEH engineered to improve substrate inhibition was simulated and Pareto optimal fronts for a CSTR catalyzed with the current AEH were compared to Pareto fronts for the improved AEH. Overall, reduced substrate inhibition would allow for high substrate conversion, fractional yield, and productivity with only a single CSTR.
Near-infrared interferometry of η Carinae with spectral resolutions of 1 500 and 12 000 using AMBER/VLTI (2006)

Aims. We present the first NIR spectro-interferometry of the LBV η Carinae. The observations were performed with the AMBER instrument of the ESO Very Large Telescope Interferometer (VLTI) using baselines from 42 to 89 m. The aim of this work is to study the wavelength dependence of η Car's optically thick wind region with a high spatial resolution of 5 mas (11 AU) and high spectral resolution.
Influenza A virus infection dysregulates the expression of microRNA-22 and its targets; CD147 and HDAC4, in epithelium of asthmatics (2018)

Specific microRNAs (miRNAs) play essential roles in airway remodeling in asthma. Infection with influenza A virus (IAV) may also magnify pre-existing airway remodeling leading to asthma exacerbation. However, these events remain to be fully defined. We investigated the expression of miRNAs with diverse functions including proliferation (miR-20a), differentiation (miR-22) or innate/adaptive immune responses (miR-132) in primary bronchial epithelial cells (pBECs) of asthmatics following infection with the H1N1 strain of IAV. pBECs from subjects (n = 5) with severe asthma and non-asthmatics were cultured as submerged monolayers or at the air-liquid-interface (ALI) conditions and incubated with IAV H1N1 (MOI 5) for up to 24 h. Isolated miRNAs were subjected to Taqman miRNAs assays. We confirmed miRNA targets using a specific mimic and antagomir. Taqman mRNAs assays and immunoblotting were used to assess expression of target genes and proteins, respectively. At baseline, these miRNAs were expressed at the same level in pBECs of asthmatics and non-asthmatics. After 24 h of infection, miR-22 expression increased significantly which was associated with the suppression of CD147 mRNA and HDAC4 mRNA and protein expression in pBECs from non-asthmatics, cultured in ALI. In contrast, miR-22 remained unchanged while CD147 expression increased and HDAC4 remained unaffected in cells from asthmatics. IAV H1N1 mediated increases in SP1 and c-Myc transcription factors may underpin the induction of CD147 in asthmatics. The different profile of miR-22 expression in differentiated epithelial cells from non-asthmatics may indicate a self-defense mechanism against aberrant epithelial responses through suppressing CD147 and HDAC4, which is compromised in epithelial cells of asthmatics.
A Globally Convergent Penalty-Based Gauss-Newton Algorithm with Applications (2019)

We propose a globally convergent Gauss-Newton algorithm for finding a local optimal solution of a non-convex and possibly non-smooth optimization problem. The algorithm that we present is based on a Gauss-Newton-type iteration for the non-smooth penalized formulation of the original problem. We establish a global convergence rate for this scheme from any initial point to a stationary point of the problem while using an exact penalty formulation. Under some more restrictive conditions we also derive local quadratic convergence for this scheme. We apply our proposed algorithm to solve the Alternating Current optimal power flow problem on meshed electricity networks, which is a fundamental application in power systems engineering. We verify the performance of the proposed method by showing comparable behavior with IPOPT, a well-established solver. We perform our validation on several representative instances of the optimal power flow problem, which are sourced from the MATPOWER library.
HARDWARE AND SOFTWARE APPROACHES FOR DETERMINISTIC MULTI-PROCESSOR REPLAY OF CONCURRENT PROGRAMS (2009)

As multi-processors become mainstream, software developers must harness the parallelism available in programs to keep up with multi-core performance. Writing parallel programs, however, is notoriously diffi cult, even for the most advanced programmers. e main reason for this lies in the nondeterministic nature of concurrent programs, which makes it very diffi cult to reproduce a program execution. As a result, reasoning about program behavior is challenging. For instance, debugging concurrent programs is known to be diffi cult because of the non-determinism of multi-threaded programs. Malicious code can hide behind non-determinism, making software vulnerabilities much more diffi cult to detect on multi-threaded programs. In this article, we explore hardware and software avenues for improving the programmability of Intel® multi-processors. In particular, we investigate techniques for reproducing a non-deterministic program execution that can effi ciently deal with the issues just mentioned. We identify the main challenges associated with these techniques, examine opportunities to overcome some of these challenges, and explore potential usage models of program execution reproducibility for debugging and fault tolerance of concurrent programs.
Development of rapid bioconversion with integrated recycle technology for ethanol production from extractive ammonia pretreated corn stover (2017)

High enzyme loading and low productivity are two major issues impeding low cost ethanol production from lignocellulosic biomass. This work applied rapid bioconversion with integrated recycle technology (RaBIT) and extractive ammonia (EA) pretreatment for conversion of corn stover (CS) to ethanol at high solids loading. Enzymes were recycled via recycling unhydrolyzed solids. Enzymatic hydrolysis with recycled enzymes and fermentation with recycled yeast cells were studied. Both enzymatic hydrolysis time and fermentation time were shortened to 24 h. Ethanol productivity was enhanced by two times and enzyme loading was reduced by 30%. Glucan and xylan conversions reached as high as 98% with an enzyme loading of as low as 8.4 mg protein per g glucan. The overall ethanol yield was 227 g ethanol/kg EA-CS (191 g ethanol/kg untreated CS). Biotechnol. Bioeng. 2017;114: 1713-1720. © 2017 Wiley Periodicals, Inc.
Synthesis of an (.eta.3-allyl)(hydrido)iridium complex and its reactions with arenes and alkanes. Sequential intermolecular carbon-hydrogen oxidative addition and hydride-to-alkene migratory insertion reactions (1988)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis of an (.eta.3-allyl)(hydrido)iridium complex and its reactions with arenes and alkanes. Sequential intermolecular carbon-hydrogen oxidative addition and hydride-to-alkene migratory insertion reactionsWilliam D. McGhee and Robert G. BergmanCite this: J. Am. Chem. Soc. 1988, 110, 13, 4246–4262Publication Date (Print):June 1, 1988Publication History Published online1 May 2002Published inissue 1 June 1988https://pubs.acs.org/doi/10.1021/ja00221a026https://doi.org/10.1021/ja00221a026research-articleACS PublicationsRequest reuse permissionsArticle Views596Altmetric-Citations60LEARN 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
Nurses' Actual Usage of EMRs: An Access Log-Based Analysis (2016)

Access logs for electronic medical records (EMRs) are a useful source of data for understanding how nurses' perform their duties. The purpose of this study was to understand how nurses' used an EMR system, by inspecting and analyzing from one week EMR access logs (394,708) of accessing 'outcome Input' screen. Anytime day and night, nurses accessed 'outcome Input' screen. Viewing and information input obtained from observations, in order to monitor patients' conditions over tasks such as keeping nursing records.
The Case for For-Profit Eye Banking (2023)

Gavin Herbert Eye Institute, University of California Irvine Health, Irvine, CA Correspondence: Marjan Farid, MD, Gavin Herbert Eye Institute, University of California Irvine, 850 Health Sciences Rd, Irvine, CA 92617 (e-mail: [email protected]). M. Farid is a consultant for CorneaGen.
Normalization Perturbation: A Simple Domain Generalization Method for Real-World Domain Shifts (2022)

Improving model's generalizability against domain shifts is crucial, especially for safety-critical applications such as autonomous driving. Real-world domain styles can vary substantially due to environment changes and sensor noises, but deep models only know the training domain style. Such domain style gap impedes model generalization on diverse real-world domains. Our proposed Normalization Perturbation (NP) can effectively overcome this domain style overfitting problem. We observe that this problem is mainly caused by the biased distribution of low-level features learned in shallow CNN layers. Thus, we propose to perturb the channel statistics of source domain features to synthesize various latent styles, so that the trained deep model can perceive diverse potential domains and generalizes well even without observations of target domain data in training. We further explore the style-sensitive channels for effective style synthesis. Normalization Perturbation only relies on a single source domain and is surprisingly effective and extremely easy to implement. Extensive experiments verify the effectiveness of our method for generalizing models under real-world domain shifts.
A transition model for cognitions about agency (2013)

Recent research in a range of fields has explored people's concepts about agency, and this issue is clearly important for understanding the conceptual basis of human-robot interaction. This research takes a wide range of approaches, but no systematic model of reasoning about agency has combined the concepts and processes involved agency-reasoning comprehensively enough to support research exploring issues such as conceptual change in reasoning about agents, and the interaction between concepts about agents and visual attention. Our goal in this paper is to develop a transition model of reasoning about agency that achieves three important goals. First, we aim to specify the different kinds of knowledge that is likely to be accessed when people reason about agents. Second, we specify the circumstances under which these different kinds of knowledge might be accessed and be changed. Finally, we discuss how this knowledge might affect basic psychological processes of attention and memory. Our approach will be to first describe the transition model, then to discuss how it might be applied in two specific domains: computer interfaces that allow a single operator to track multiple robots, and a teachable agent system currently in use assisting primary and middle school students in learning natural science concepts.
Process study for laser-induced surface coloration (2002)

A KrF excimer laser beam is used to induce controllable and high-contrast colors on a stainless-steel surface under different processing conditions. The laser beam acts as a localized heating source that promotes the formation of semitransparent oxide films of varying thicknesses and morphologies on the sample surface. Ellipsometry and atomic force microscopy were employed to understand the laser-induced colors by studying the surface morphology and optical properties of the oxide films and their thickness. It is found that the laser-induced colors vary with the oxide layer thickness. The laser-treated areas have granular structures, which affect oxide growth and light scattering.
Influence of Injection Mode on Transport Properties in Kilometer-Scale Three-Dimensional Discrete Fracture Networks (2015)

We investigate how the choice of injection mode impacts transport properties in kilometer-scale three-dimensional discrete fracture networks (DFN). The choice of injection mode, resident or flux-weighted, is designed to mimic different physical phenomena. It has been hypothesized that solute plumes injected under resident conditions evolve to behave similarly to solutes injected under flux-weighted conditions. Previously, computational limitations have prohibited the large scale simulations required to investigate this hypothesis. We investigate this hypothesis by using a high performance DFN suite, dfnWorks, to simulate flow in kilometer-scale three-dimensional DFNs based on fractured granite at the Forsmark site in Sweden, and adopt a Lagrangian approach to simulate transport therein. Results show that after traveling through a pre-equilibrium region both injection methods exhibit linear scaling of the first moment of travel time and power law scaling of the breakthrough curve with similar exponents, slightly larger than two. The physical mechanisms behind this evolution appear to be the combination of in-network channeling of mass into larger fractures, which offer reduced resistance to flow, and in-fracture channeling, which results from the topology of the DFN. This article is protected by copyright. All rights reserved.
Antibody Maturation in Women Who Acquire HIV Infection While Using Antiretroviral Preexposure Prophylaxis (2015)

The CAPRISA 004 preexposure prophylaxis (PrEP) randomized trial demonstrated that women who used a vaginal gel containing the antiretroviral drug tenofovir (TFV) had a 39% lower risk of acquiring human immunodeficiency virus (HIV). It is not known whether topical TFV alters the antibody response to breakthrough HIV infection. In this study, antibody maturation was evaluated using 3 serologic assays: the BED capture enzyme immunoassay (CEIA), the Bio-Plex (Luminex) assay, and the Bio-Rad avidity assay. Tests were performed using serum samples collected 3, 6, 9, 12, 24, 36, 48, and >48 months after seroconversion from 95 women in the CAPRISA 004 trial (35 in the TFV gel arm and 60 in the placebo arm). For the BED CEIA and Luminex assay, linear mixed effects models were used to examine test results by study arm. Cox proportional hazard analysis was used to examine time to avidity cutoff. Anti-HIV antibody titers did not differ between study arms. Women assigned to TFV gel demonstrated slower antibody avidity maturation, as determined by the Bio-Rad (P = .04) and gp120 Bio-Plex (P = .028) assays. Women who were assigned to receive topical TFV but became infected had slower antibody avidity maturation, with potential implications for diagnosis and antibody-based incidence assays as access to antiretroviral therapy-based PrEP is increased.