gebhart/patrepeval huggingface dataset:
Cobalt‐Catalyzed Addition Reaction of Organoboronic Acids with Aldehydes: Highly Enantioselective Synthesis of Diarylmethanols (2010)

Predicted outcomes: The addition reaction of organoboronic acids with aldehydes in the presence of K2CO3 catalyzed by CoI2/(R,R)-BDPP gives chiral secondary alcohols in excellent yields with 90–99 % enantiomeric excess (see scheme; (R,R)-BDPP=(2R,4R)-(+)-2,4-bis(diphenylphosphino)pentane). This method provides an alternative to prepare an R and S enantiomeric pair by using the same chiral ligand and allows the stereochemical outcome of the reaction to be predicted. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Predicting the location and number of faults in large software systems (2005)

Advance knowledge of which files in the next release of a large software system are most likely to contain the largest numbers of faults can be a very valuable asset. To accomplish this, a negative binomial regression model has been developed and used to predict the expected number of faults in each file of the next release of a system. The predictions are based on the code of the file in the current release, and fault and modification history of the file from previous releases. The model has been applied to two large industrial systems, one with a history of 17 consecutive quarterly releases over 4 years, and the other with nine releases over 2 years. The predictions were quite accurate: for each release of the two systems, the 20 percent of the files with the highest predicted number of faults contained between 71 percent and 92 percent of the faults that were actually detected, with the overall average being 83 percent. The same model was also used to predict which files of the first system were likely to have the highest fault densities (faults per KLOC). In this case, the 20 percent of the files with the highest predicted fault densities contained an average of 62 percent of the system's detected faults. However, the identified files contained a much smaller percentage of the code mass than the files selected to maximize the numbers of faults. The model was also used to make predictions from a much smaller input set that only contained fault data from integration testing and later. The prediction was again very accurate, identifying files that contained from 71 percent to 93 percent of the faults, with the average being 84 percent. Finally, a highly simplified version of the predictor selected files containing, on average, 73 percent and 74 percent of the faults for the two systems.
Combinatorial drug discovery in nanoliter droplets (2018)

Combinatorial drug treatment strategies perturb biological networks synergistically to achieve therapeutic effects and represent major opportunities to develop advanced treatments across a variety of human disease areas. However, the discovery of new combinatorial treatments is challenged by the sheer scale of combinatorial chemical space. Here, we report a high-throughput system for nanoliter-scale phenotypic screening that formulates a chemical library in nanoliter droplet emulsions and automates the construction of chemical combinations en masse using parallel droplet processing. We applied this system to predict synergy between more than 4,000 investigational and approved drugs and a panel of 10 antibiotics against <i>Escherichia coli</i>, a model gram-negative pathogen. We found a range of drugs not previously indicated for infectious disease that synergize with antibiotics. Our validated hits include drugs that synergize with the antibiotics vancomycin, erythromycin, and novobiocin, which are used against gram-positive bacteria but are not effective by themselves to resolve gram-negative infections.
1‐(Pyridin‐2‐yl)methanamine‐Based Ruthenium Catalysts for Fast Transfer Hydrogenation of Carbonyl Compounds in 2‐Propanol (2008)

Abstract This Microreview focuses on the development of novel ruthenium complexes displaying high performance in the catalytic asymmetric transfer hydrogenation of ketones with 2‐propanol, providing this procedure alternative to the hydrogenation with dihydrogen. The key role is played by 1‐(pyridin‐2‐yl)methanamine (Pyme) type ligands which in combination with appropriate phosphanes afforded ruthenium systems of unprecedented high catalytic activity and productivity for the reduction of ketones and aldehydes. For the pincer CNN complexes a mixed inner‐outer sphere mechanism involving Ru‐hydride and Ru‐alkoxide species is proposed. The excellent properties of these complexes are expected to have implications for the design of a new generation of catalysts.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Plasmid DNA production combining antibiotic‐free selection, inducible high yield fermentation, and novel autolytic purification (2009)

DNA vaccines and gene medicines, derived from bacterial plasmids, are emerging as an important new class of pharmaceuticals. However, the challenges of performing cell lysis processes for plasmid DNA purification at an industrial scale are well known. To address downstream purification challenges, we have developed autolytic Escherichia coli host strains that express endolysin (phage lambdaR) in the cytoplasm. Expression of the endolysin is induced during fermentation by a heat inducible promoter. The endolysin remains in the cytoplasm, where it is separated from its peptidoglycan substrate in the cell wall; hence the cells remain alive and intact and can be harvested by the usual methods. The plasmid DNA is then recovered by autolytic extraction under slightly acidic, low salt buffer conditions and treatment with a low concentration of non-ionic detergent. Under these conditions the E. coli genomic DNA remains associated with the insoluble cell debris and is removed by a solid-liquid separation. Here, we report fermentation, lysis methods, and plasmid purification using autolytic hosts.
Real-time thickness control of resonant-tunneling diode growth based on reflection mass spectrometry (1995)

We used reflection mass spectrometry (REMS) to control the molecular beam epitaxial growth of resonant-tunneling diode (RTD) structures. The REMS-based thickness value controlled the effusion cell shutter actuation, and compensated in real time for flux transients and short-term flux drift. Use of REMS control during deposition of AlAs, InAs, and InGaAs layers resulted in improved symmetry and reproducibility of the RTD I-V characteristics, compared with time-based, dead-reckoning growth. REMS-based control for flux compensation during growth of GaAs/AlGaAs multi-quantum-well structures is also reported.
Suspended Moving Channels and Channel Actuators for Microfluidic Applications (1998)

Abstract A novel process for fabricating suspended moving channels has been developed. With this process we are able to produce microfluidic channels above the substrate as well as channels embedded just below the surface. By design, the process allows the core of single crystal silicon (SCS) beams to be removed leaving a hollow interior that can carry fluids. Thus, portions of actuators or entire actuators can contain and carry fluids. The result is total integration of channels with actuators and other high aspect ratio structures. The nature of the process makes integration of these suspended channels with actuators extremely simple. Only two masks are required: one to define the actuators and another to define the channels. A third mask can be used to pattern the metal allowing for opaque and transparent channels. Suspending channels above the substrate opens a wide range of new possibilities: greater thermal isolation between channels; a method for mixing fluids; a means for pumping fluids; and a means for sensing density by monitoring resonance changes. In addition, the channels are accessible for both optical monitoring and optical excitation of chemical reactions.
A Bandwidth-Efficient Cognitive Radio With Two-Path Amplify-and-Forward Relaying (2014)

This letter introduces a new cognitive radio system employing the two-path amplify-and-forward relaying scheme. In the proposed system, the primary user (PU) transmitter cooperates with the secondary user (SU) transmitter and receiver to relay PU data to the PU destination. The proposed algorithm makes use of the interrelay interference (IRI) between the two relay nodes to transmit SU data and minimize their IRI effect on the PU destination. Two optimization problems are formulated to find optimal power allocation between SU transmission and relaying amplifying factors: one to minimize the probability of error and the other one to maximize the average achievable rate. Simulation results show that the proposed algorithm outperforms the single data transmission and the existing two-path relaying scheme. In addition, the PU network achieves a diversity order of 3, when a maximum-likelihood decoder is used, whereas the SU network achieves a diversity order of 2.
Design and Synthesis of Multigraft Copolymer Thermoplastic Elastomers: Superelastomers (2017)

Abstract Thermoplastic elastomers (TPEs) have been widely studied because of their recyclability, good processibility, low production cost, and unique performance. The building of graft‐type architectures can greatly improve mechanical properties of TPEs. This review focuses on the advances in different approaches to synthesize multigraft copolymer TPEs. Anionic polymerization techniques allow for the synthesis of well‐defined macromolecular structures and compositions, with great control over the molecular weight, polydispersity, branch spacing, number of branch points, and branch point functionality. Progress in emulsion polymerization offers potential approaches to commercialize these types of materials with low production cost via simple operations. Moreover, the use of multigraft architectures provides a solution to the limited elongational properties of all‐acrylic TPEs, which can greatly expand their potential application range. The combination of different polymerization techniques, the introduction of new chemical compositions, and the incorporation of sustainable sources are expected to be further investigated in this area in coming years.
Steam gasification of brown coal using sodium chloride and potassium chloride catalysts (1989)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSteam gasification of brown coal using sodium chloride and potassium chloride catalystsTakayuki Takarada, Toshihide Nabatame, Yasuo Ohtsuka, and Akira TomitaCite this: Ind. Eng. Chem. Res. 1989, 28, 5, 505–510Publication Date (Print):May 1, 1989Publication History Published online1 May 2002Published inissue 1 May 1989https://pubs.acs.org/doi/10.1021/ie00089a001https://doi.org/10.1021/ie00089a001research-articleACS PublicationsRequest reuse permissionsArticle Views381Altmetric-Citations44LEARN 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-Alertsclose Get e-Alerts
Siloxane containing polyimides with improved processability (1985)

Siloxane containing polyimides were prepared in an effort to improve processability of linear aromatic polyimides and toughness of addition curing imide oligomers. Linear aromatic polyimides were endcapped with varying proportions of a silane; a diaminosiloxane was copolymerized with an aromatic diamine; polyimide oligomers were endcapped with reactive groups; and acetylene terminated siloxane-containing oligomers were blended with linear siloxane-containing polyimides. The resins were used to prepare moldings, titanium to titanium adhesive bonds, and graphite reinforced composites. In each case, physical properties and other characteristics were compared to those of chemically similar polyimides with no siloxane incorporation. The resins, in most cases, performed better at room temperature than the corresponding polyimide. At elevated temperatures, for high siloxane content, the performance deteriorated.
Optical design for POS hologram scanner (1986)

This paper presents newly developed optical design techniques for a shallow-type POS hologram scanner. POS scanner optical design involves design of the scan pattern to read the bar code and design of the detection system. For scan pattern design, we have developed a "readability map" method and a "scanning diagram" method. Detection system design took into account laser safety standards, and we used a technique for estimating the power of the detected signal. We have realized a shallow-type POS hologram scanner which is only 16cm high and can be operated from a sitting position.
Image coding with robust channel-optimized trellis-coded quantization (2000)

This paper presents a wavelet-based image coder that is optimized for transmission over the binary symmetric channel (BSC). The proposed coder uses a robust channel-optimized trellis-coded quantization (COTCQ) stage that is designed to optimize the image coding based on the channel characteristics. A phase scrambling stage is also used to further increase the coding performance and robustness to nonstationary signals and channels. The resilience to channel errors is obtained by optimizing the coder performance only at the level of the source encoder with no explicit channel coding for error protection. For the considered TCQ trellis structure, a general expression is derived for the transition probability matrix. In terms of the TCQ encoding rat and the channel bit error rate, and is used to design the COTCQ stage of the image coder. The robust nature of the coder also increases the security level of the encoded bit stream and provides a much more visually pleasing rendition of the decoded image. Examples are presented to illustrate the performance of the proposed robust image coder.
Learning Capture Points for Bipedal Push Recovery (2008)

Researchers at IHMC and Honda Research Institute are developing techniques for learning capture points for bipedal push recovery. A capture point is a point on the ground where a biped can step to in order to stop. Humans are very adept at stepping to capture points, while most bipedal robots cannot recover from significant pushes. To calculate approximate capture point locations, we use the linear inverted pendulum model introduced by Kajita and Tani. For a point mass biped walking at a constant height, this model exactly predicts the capture point. However, for a distributed mass biped, it is only an approximation. In order to better predict capture points, we learn a correction function to the linear inverted pendulum model. We used two learning methods, one online and one offline, to improve capture point prediction. In the offline learning method, the robot is pushed multiple times with a given force magnitude and direction. In the online learning technique, we use a radial basis function to represent the learned offsets from the capture point predicted by the linear inverted pendulum model.
Alternatives to Hydrogen Fluoride for Photoelectrochemical Etching of Silicon (1999)

Photoelectrochemical etching of silicon in nonaqueous solutions without the use of free‐fluoride or HF has been demonstrated. Silicon was electrochemically oxidized and dissolved using stable, fluoride containing salts in acetonitrile solutions. The current‐voltage behavior of silicon in acetonitrile solutions containing tetrabutylammonium tetrafluoroborate or tetrabutylammonium hexafluorophosphate were similar. The voltammetry of silicon in solutions containing tetrabutylammonium trifluoromethylsulfonyl, potassium hexafluoroarsenate, or sodium hexafluoroantimonate showed large hysteresis indicating the presence of silicon oxide on the surface. Although the dissolution rate of silicon dioxide was negligible in the absence of free‐fluoride or HF, the oxidation and dissolution of silicon could be maintained, even when thin oxides were formed. Photocurrent oscillations associated with the buildup and removal of oxides were observed when traces of water were present. © 1999 The Electrochemical Society. All rights reserved.
Development of Essential Oil-Based Arthropod Repellent Products (2011)

The chemical ecology of plants provides a rich bank of structurally diverse compounds with a variety of insecticidal and repellent mechanisms. Further, the biological activity of select compounds offers potential for advances in pesticide chemistry with reduced risks to human health and the environment. Plant essential oil extracts represent the volatile essence of a plant, and are often comprised of a complex blend of terpenes and derivatives. Numerous studies have demonstrated that these compounds, as well as their parent blends, possess biological activity capable of eliciting adverse effects in arthropod pests. Recent patent literature has revealed novel research findings describing new arthropod repellent technologies and delivery applications; however, commercialization of essential oil-based products continues to lag behind. Factors affecting the commercialization of plant essential oil extracts as repellents, including regulatory requirements, intellectual property value, biological activity, product performance, and product quality, are discussed.
<title>Extended discrete approximation minimizing many measures of error simultaneously</title> (1999)

In this paper, we will present the optimum interpolation functions minimizing various measures of approximation error simultaneously. For an ordinary interpolatory approximation using sample values of a band-limited signal and a FIR filterbank system having analysis filters H<SUB>m</SUB>((omega) ) (m equals 0,1,...,M - 1), we outline necessary formulation for the time-limited interpolation functions (psi) <SUB>m</SUB>(t) realizing the optimum approximation in each limited block separately. Further, under some assumptions, we will present analytic or piece-wise analytic interpolation functions (phi) <SUB>m</SUB>(t) minimizing various measures of approximation error defined at discrete time samples t<SUB>n</SUB> equals n (n equals 0,+/- 1,+/- 2,...). In this discussion, (phi) <SUB>m</SUB>(n) are equal to (psi) <SUB>m</SUB>(n) (n equals 0,+/- 1,+/- 2,...). Since (phi) <SUB>m</SUB>(t) are time-limited, (phi) <SUB>m</SUB>(n) vanish outside of the finite set of n. Hence, one can use FIR filters if one wants to realize discrete synthesis filters which impulse responses are (phi) <SUB>m</SUB>(n).
Fast head-related transfer function measurement via reciprocity (2006)

An efficient method for head-related transfer function (HRTF) measurement is presented. By applying the acoustical principle of reciprocity, one can swap the speaker and the microphone positions in the traditional (direct) HRTF measurement setup, that is, insert a microspeaker into the subject's ear and position several microphones around the subject, enabling simultaneous HRTF acquisition at all microphone positions. The setup used for reciprocal HRTF measurement is described, and the obtained HRTFs are compared with the analytical solution for a sound-hard sphere and with KEMAR manikin HRTF obtained by the direct method. The reciprocally measured sphere HRTF agrees well with the analytical solution. The reciprocally measured and the directly measured KEMAR HRTFs are not exactly identical but agree well in spectrum shape and feature positions. To evaluate if the observed differences are significant, an auditory localization model based on work by J. C. Middlebrooks [J. Acoust. Soc. Am. 92, 2607-2624 (1992)] was used to predict where a virtual sound source synthesized with the reciprocally measured HRTF would be localized if the directly measured HRTF were used for the localization. It was found that the predicted localization direction generally lies close to the measurement direction, indicating that the HRTFs obtained via the two methods are in good agreement.
Importance of the 6′‐Hydroxy Group and Its Configuration for Apramycin Activity (2014)

A series of apramycin derivatives was prepared and investigated for antibacterial activity and the ability to inhibit protein synthesis in cell-free translation assays. The effect of various modifications at the 6'- and N7'-positions on antiribosomal activity is discussed in terms of their influence on drug binding to specific residues in the decoding A-site. These studies contribute to the development of a structure-activity relationship for the antibacterial activity of the apramycin class of aminoglycosides and to the future design and development of more active and less toxic antibiotics.
Titanium dioxide nanotube based sensing platform for detection of mycobacterium tuberculosis volatile biomarkers methyl nicotinate and p-anisate (2015)

This research presents a metal functionalized titanium dioxide (TiO <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> ) nanotube based sensor developed for detection of volatile biomarkers (methyl p-anisate and methyl nicotinate) associated with tuberculosis (TB). In this work self-aligning TiO <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> nanotubes were fabricated, and functionalized with cobalt for specific binding to the volatile biomarkers of interest. Mimics of the volatile biomarkers were dissolved in water at variable concentrations, and nitrogen gas was flowed through the biomarker solutions and delivered to the sensor. A potentiostatic scan was used to measure current across the device under constant potentials ranging from −1.0 volts to 1-volts methyl nicotinate and methyl p-anisate. The sensor response showed a 3 × 10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">5</sup> change in current for methyl nicotinate, and 7.61 × 10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</sup> change in current for methyl p-anisate when compared to baseline. The sensor also showed little response to five other VOCs (acetone, ethanol, methanol, benzene, and phenol) which suggest the sensor is functionalized to be specific for the target VOCs associated with TB. Results showed detection of the volatile biomarkers yield orders of magnitude change in current which is detected easily. The sensor is simple to operate, responds in minutes, and has potential applications in non-invasive diagnosis of TB and other diseases that have distinct volatile biomarkers.