gebhart/patrepeval huggingface dataset:
A new approach to determine nanoparticle shape and size distributions of SERS-active gold–silver mixed colloids (1998)

This paper presents new results on surface enhanced Raman spectroscopy (SERS) of various probes (pyridine, acridine) deposited onto mixed Au100-xAgx colloids constituted of gold particles overlaid by less than a single layer of silver atoms. Since both electromagnetic and chemical theories predict that the Raman enhancement depends strongly on the morphology of colloidal particles, we have used two methods to approach the particle size and shape distributions of these mixed colloids. The first one compares the profiles of the experimental and calculated extinction bands of surface plasmon resonances. The second one deals with low frequency Raman spectra from particle mechanical vibrations (acousticmodes). Using a recent model that we have developed to simulate the band profiles of these spectra, we can obtain the size and shape of the resonantparticles underlying the SERS effect. These distributions, deduced from both foregoing methods, are compared with those obtained by transmission electronic microscopy (TEM) and allow us to suggest that several scales of particle sizes lead to the SERS effect. This latter result is related to the fractal nature of partially aggregated colloids displaying scale invariance. We have also analyzed the physicochemical properties of the two probes (pyridine and acridine) when they are adsorbed onto these mixed colloids. The results show that the acridine species bound to the surface depends strongly on the addition of a very small amount of silver at the gold surface. These mixed colloids allow SERS spectra of acridine to be obtained when the laser excitation takes place in the green (514.5 nm) while in pure gold colloids, acridine does not display any SERS spectrum at this excitation wavelength.
Adsorption and reaction of n-alkanes on the platinum(110)-(1 .times. 2) surface (1985)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAdsorption and reaction of n-alkanes on the platinum(110)-(1 .times. 2) surfaceP. D. Szuromi, J. R. Engstrom, and W. H. WeinbergCite this: J. Phys. Chem. 1985, 89, 12, 2497–2502Publication Date (Print):June 1, 1985Publication History Published online1 May 2002Published inissue 1 June 1985https://pubs.acs.org/doi/10.1021/j100258a015https://doi.org/10.1021/j100258a015research-articleACS PublicationsRequest reuse permissionsArticle Views243Altmetric-Citations58LEARN 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 options Get e-Alerts
New Delhi Metallo-β-Lactamase I: Substrate Binding and Catalytic Mechanism (2013)

Metallo-β-lactamases can hydrolyze and deactivate lactam-containing antibiotics, which is the major mechanism for causing drug resistance in the treatment of bacterial infections. This has become a global concern because of the lack of clinically approved inhibitors so far. The emergence of New Delhi metallo-β-lactamase I (NDM-1) makes the situation even more serious. In this work, first, the structure of NDM-1 in complex with the inhibitor molecule l-captopril is investigated by both density functional theory (DFT) and hybrid quantum mechanical/molecular mechanical (QM/MM) methods, and the theoretical results are in good agreement with the X-ray structure. The Michaelis structure with an antibiotic compound (ampicillin) bound in the active site is constructed from a recent X-ray structure of the NDM-1 enzyme with hydrolyzed ampicillin. It is further simulated using a QM/MM molecular dynamics method. One of the interesting binding features of ampicillin in the NDM-1 active site is that the conserved C3 carboxylate group is not ligated with Zn2 but rather is only hydrogen-bonded with N220 and K211. A bridging hydroxide ion is suggested to connect two zinc cofactors. This hydroxide ion is also hydrogen-bonded with D124. Subsequent reaction path calculations indicate that the initial step of lactam ring-opening occurs through a concerted step in which the cleavage of the C-N bond and the transfer of the hydrogen bond to D124 are nearly concerted. The ligand bond between Zn2 and the C3 carboxylate group forms after the first step of nucleophilic addition. The calculated activation energy barrier height is about 19.4 kcal/mol for the hydrolysis of ampicillin, which can be compared with the experimental value of 15.8 kcal/mol derived from kcat = 15 s(-1). The overall mechanism is finally confirmed by a subsequent DFT study of a truncated active-site model.
Healing of experimental intestinal anastomoses (1990)

Anastomotic dehiscence remains a major complication in surgery of the large bowel, and studies on the healing sequence of experimental anastomoses are necessary to define underlying mechanisms and find ways to improve surgical outcome, particularly in high-risk situations. For the quantitative description of anastomotic repair, both mechanical and biochemical parameters are employed, each with their own limitations. Mechanical parameters, either bursting pressure or breaking strength, only reflect growing anastomotic strength as long as disruption occurs within the anastomotic area, which is less than one week after surgery for the bursting pressure and probably up to two weeks for the breaking strength. The biochemical description of anastomotic repair has been limited to behavior of collagen, as represented by its rather unique constituent amino acid hydroxyproline. Conclusions based on collagen concentrations--per unit weight--should be considered with caution since they may change as a consequence of changes in noncollagenous substances. In this respect, collagen content, per unit length, is probably a better parameter to describe anastomotic collagen levels. Few investigations have addressed the quality of collagen (e.g., crosslinking or type). Since, at this time, no distinct correlations have been demonstrated between development of mechanical strength or occurrence of leakage and collagen levels in the healing anastomosis, attention should not be restricted to a description of the quantity of collagen present: the quality of anastomotic collagen should be investigated, perhaps even more so.
Gene Transfer to Corneal Epithelium and Keratocytes Mediated by Ultrasound with Microbubbles (2006)

US with MBs greatly increases gene transfer to in vivo and in vitro corneal cells. This noninvasive gene transfer method may be a useful tool for clinical gene therapy.
MPNA: A Massively-Parallel Neural Array Accelerator with Dataflow Optimization for Convolutional Neural Networks (2018)

The state-of-the-art accelerators for Convolutional Neural Networks (CNNs) typically focus on accelerating only the convolutional layers, but do not prioritize the fully-connected layers much. Hence, they lack a synergistic optimization of the hardware architecture and diverse dataflows for the complete CNN design, which can provide a higher potential for performance/energy efficiency. Towards this, we propose a novel Massively-Parallel Neural Array (MPNA) accelerator that integrates two heterogeneous systolic arrays and respective highly-optimized dataflow patterns to jointly accelerate both the convolutional (CONV) and the fully-connected (FC) layers. Besides fully-exploiting the available off-chip memory bandwidth, these optimized dataflows enable high data-reuse of all the data types (i.e., weights, input and output activations), and thereby enable our MPNA to achieve high energy savings. We synthesized our MPNA architecture using the ASIC design flow for a 28nm technology, and performed functional and timing validation using multiple real-world complex CNNs. MPNA achieves 149.7GOPS/W at 280MHz and consumes 239mW. Experimental results show that our MPNA architecture provides 1.7x overall performance improvement compared to state-of-the-art accelerator, and 51% energy saving compared to the baseline architecture.
A framework for low level analysis and synthesis to support high level authoring of multimedia documents (2002)

We have designed and developed a hierarchical framework for composition of multimedia documents. This framework forms the basis of an important analysis technique for developing high level authoring tools. From the perspective of aiding the task of multimedia production, the emphasis has been placed on the generality and uniformity of the framework and on support for new techniques to improve the authoring environment. Specifically, this framework supports flexible synchronization and flow control as well as a range of interactive, continuous, and discrete media in a uniform fashion. We adopt the hierarchical composition approach in order to support a style of analysis similar to the semantic analysis performed in programming language translation. This analysis capability provides a robust base upon which a number of potential high-level authoring facilities can be built including resource analysis for conflict detection and resolution, interactive specification and editing of the temporal relationships among multiple media materials, and automatic synthesis of candidate solutions for detected problems. We examine various important aspects of this framework and describe how the potential high level authoring tools can be implemented using its analysis capability.
Pressure sore formation in the operating theatre: 1 (1999)

While theatre nurses strive to master increasingly sophisticated equipment and techniques they must also endeavour to ensure that the quality of fundamental nursing care has positive outcomes for the patient. According to Land (1995), pressure area care is such a fundamental nursing activity that many health professionals do not recognize the importance of keeping abreast of new developments. A review of the literature concerning pressure sore formation suggests that, far from being a ward-based problem, all surgical patients experience a critical period during which they are most susceptible to pressure injury--the time spent on the operating table. This article, the first of two parts, outlines the pathophysiology of pressure sores and the contributory factors present within the operating theatre. The second part suggests nursing interventions to reduce the incidence of pressure sore formation during the perioperative phase.
SYNTHESIS OF PEPTIDES OF METHIONINE AND THEIR CLEAVAGE BY PROTEOLYTIC ENZYMES (1949)

In a previous communication from this laboratory (l), a method was described for the enzymatic resolution of Dr.,-methionine. The ready availability of the optically active enantiomorphs has made possible the application of the carbobenzoxy method to the synthesis of peptides of Land n-methionine. A search of the literature has indicated that the only methionine peptide described thus far is glycyl-L-methionine (2), which was obtained by the treatment of L-methionine with chloroacetyl chloride, followed by the amination of the resulting chloroacetylamino acid. The rotation of the peptide was not reported, however, and, as is noted in the experimental section of this communication, the melting point of this product is about 55’ lower than that found for glycyl-nmethionine prepared by the carbobenzoxy method. In what follows, there is described the synthesis of a series of methionine peptides and peptide derivatives, and a number of these have been examined with regard to their susceptibility to the hydrolytic action of several proteolytic enzymes. In addition, the availability of such peptides of methionine makes possible the study of other metabolic reactions involving compounds in which this amino acid is bound in peptide linkage. The results of such studies will be reported in future communications. Synth,esis of Peptides of Methionine-In the experimental section, directions are given for the synthesis of the free peptides glycyl-nand n-methionine, Land n-methionylglycine, ru-L-glutamyl-L-methionine, L-
Hybrid Krylov Methods for Nonlinear Systems of Equations (1990)

Several implementations of Newton-like iteration schemes based on Krylov subspace projection methods for solving nonlinear equations are considered. The simplest such class of methods is Newton’s algorithm in which a (linear) Krylov method is used to solve the Jacobian system approximately. A method in this class is referred to as a Newton–Krylov algorithm. To improve the global convergence properties of these basic algorithms, hybrid methods based on Powell’s dogleg strategy are proposed, as well as linesearch backtracking procedures. The main advantage of the class of methods considered in this paper is that the Jacobian matrix is never needed explicitly.
The need for a hypertext instructional design methodology (1996)

Educators are showing an interest in media rich presentation systems as a means of giving additional material to a class or of showing concepts in a graphical fashion during class. Educators have concerns, however, about the length of time it takes to design and implement media rich or multimedia systems, about copyright issues, and whether the system will be used more than once. They also want to be able to design the system using sound instructional principles, but may not have any time for acquiring such specialized knowledge and, indeed, they probably did not take any education classes while working on their advanced degrees. To help educators and students design effective and instructionally sound systems quickly, a hypertext instructional design engineering process can be used to help them to concentrate on structuring their system and on monitoring design violations. The process includes a requirements stage, a specifications stage, an implementation stage, validation for each stage and evaluation of the resulting system. The products of these stages are developed with object-oriented techniques which will eventually result in a hypertext system for instructional usage.
Near-Field Optical Transducer for Heat-Assisted Magnetic Recording for Beyond-10-Tbit/in<sup>2</sup> Densities (2008)

Continuous device downscaling, growing integration densities of the nanoscale electronics and development of alternative information processing paradigms, such as spintronics and quantum computing, call for drastic increase in the data storage capacity. In this paper we review our recent results for the design, fabrication and characterization of the near-field optical transducer for heat-assisted magnetic recording for beyond the 10-Tbit/in 2 densities. In order to record information, the heat-assisted magnetic recording system uses not only magnetic but also thermal energy. For this reason the recording media with the substantially higher anisotropy could be utilized to achieve the ultra-high recording densities. In this review, we provide details of the design of the near-field transducer capable of delivering over 50 μW power into a spot with the diameter of 30 nm. Heat-assisted magnetic recording and spin-based information processing require accurate thermal management of magnetic thin films. Here we report the results of our preliminary investigation of thermal transport in Pd/CoPd/Pd magnetic multilayers with the thickness of individual layers in the nanometer range.
Fundamental physics in observational cosmology (2010)

I discuss, through a few examples, how observational cosmology can provide insights on hypothetical fundamental physics phenomena or mechanisms, such as Grand Unified Theory, Superstring alternatives to the inflation paradigm, and inflation itself.
AHA and ACC outline approaches to coronary disease risk assessment. (2000)

The American Heart Association (AHA) and the American College of Cardiology (ACC) have issued a report that discusses approaches to the assessment of cardiovascular risk as a tool for primary prevention of coronary disease.
Lymphocyte function-associated antigen-1 is required for maximum elicitation of allergic contact dermatitis (1994)

Cell adhesion molecules (CAMs) are known to play an important role in cell-mediated immunity and inflammation. To investigate the importance of one of the CAMs, lymphocyte function-associated antigen-1 (LFA-1) in allergic contact dermatitis (ACD), a specific anti-LFA-1 monoclonal antibody was injected into the ears of mice after sensitization but prior to challenge with dinitrofluorobenzene (DNFB). BALB/c mice were sensitized on the dorsal skin with DNFB, and challenged on the ears 6 days later. The effect of the antibody on the elicitation phase of contact sensitization was determined by its intradermal injection into the pinnae of the mice at doses of 1-40 micrograms. At 24 and 48 h after challenge, ear swelling was dose-dependently suppressed by injection of LFA-1 antibody at doses of 2-40 micrograms, which are less than 10% of the systemic dose required for effective suppression of delayed-type hypersensitivity in previous studies. Maximal inhibition of ear swelling (44%) was observed after injection of 20 micrograms of anti-LFA-1 antibody. Inhibition of ear swelling was accompanied by a reduction in dermal oedema and leucocyte infiltration into the dermis. Our results suggest that LFA-1 plays a significant role in the elicitation of ACD reactions, and also that our test system is a sensitive and useful means of evaluating the blocking effect of antibody to adhesion molecules thought to be involved in the elicitation phase of ACD.
Prokaryotic and eukaryotic DNA helicases (2004)

DNA helicases are ubiquitous molecular motor proteins which harness the chemical free energy of ATP hydrolysis to catalyze the unwinding of energetically stable duplex DNA, and thus play important roles in nearly all aspects of nucleic acid metabolism, including replication, repair, recombination, and transcription. They break the hydrogen bonds between the duplex helix and move unidirectionally along the bound strand. All helicases are also translocases and DNA-dependent ATPases. Most contain conserved helicase motifs that act as an engine to power DNA unwinding. All DNA helicases share some common properties, including nucleic acid binding, NTP binding and hydrolysis, and unwinding of duplex DNA in the 3' to 5' or 5' to 3' direction. The minichromosome maintenance (Mcm) protein complex (Mcm4/6/7) provides a DNA-unwinding function at the origin of replication in all eukaryotes and may act as a licensing factor for DNA replication. The RecQ family of helicases is highly conserved from bacteria to humans and is required for the maintenance of genome integrity. They have also been implicated in a variety of human genetic disorders. Since the discovery of the first DNA helicase in Escherichia coli in 1976, and the first eukaryotic one in the lily in 1978, a large number of these enzymes have been isolated from both prokaryotic and eukaryotic systems, and the number is still growing. In this review we cover the historical background of DNA helicases, helicase assays, biochemical properties, prokaryotic and eukaryotic DNA helicases including Mcm proteins and the RecQ family of helicases. The properties of most of the known DNA helicases from prokaryotic and eukaryotic systems, including viruses and bacteriophages, are summarized in tables.
Condensation of air in supersonic wind tunnels and its effects on flow about models (1952)

Report presenting the results of an investigation of condensation phenomena in supersonic wind tunnel. Lower and upper limits for the degree of supersaturation attainable before the onset of condensation of air are discussed. A method is presented for calculating the properties of a stream containing a small fraction of condensed air.
Integrated scheduling of flexible manufacturing systems employing automated guided vehicles (1994)

Centralized and distributed automated guided vehicle system (AGVS) models for materials handling, and the model for part processing are integrated into a single coherent model. This formulation can be used to collectively schedule and control the entire flexible manufacturing system (FMS) as opposed to the traditional separate scheduling of part processing and material handling. The two AGVS models are based on Petri nets and can be directly used in the scheduling method that uses Petri nets for formulation and heuristic search for solution. This method employs a global search to seek the optimal operation of an entire FMS. Scheduling examples are presented and the method compares favorably with the results simulated using heuristic dispatch rules.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Stabilization of Penicillin G Acylase from <i>Escherichia coli</i> : Site-Directed Mutagenesis of the Protein Surface To Increase Multipoint Covalent Attachment (2004)

Three mutations on the penicillin acylase surface (increasing the number of Lys in a defined area) were performed. They did not alter the enzyme's stability and kinetic properties; however, after immobilization on glyoxyl-agarose, the mutant enzyme showed improved stability under all tested conditions (e.g., pH 2.5 at 4 degrees C, pH 5 at 60 degrees C, pH 7 at 55 degrees C, or 60% dimethylformamide), with stabilization factors ranging from 4 to 11 compared with the native enzyme immobilized on glyoxyl-agarose.
Advanced Fault Diagnosis for Lithium-Ion Battery Systems (2020)

Lithium-ion batteries have become the mainstream energy storage solution for many applications, such as electric vehicles and smart grids. However, various faults in a lithium-ion battery system (LIBS) can potentially cause performance degradation and severe safety issues. Developing advanced fault diagnosis technologies is becoming increasingly critical for the safe operation of LIBS. This paper provides a comprehensive review of fault mechanisms, fault features, and fault diagnosis of various faults in LIBS, including internal battery faults, sensor faults, and actuator faults. Future trends in the development of fault diagnosis technologies for a safer battery system are presented and discussed.