gebhart/patrepeval huggingface dataset:
Predicting and Improving the Membrane Permeability of Peptidic Small Molecules (2012)

We evaluate experimentally and computationally the membrane permeability of matched sets of peptidic small molecules bearing natural or bioisosteric unnatural amino acids. We find that the intentional introduction of hydrogen bond acceptor-donor pairs in such molecules can improve membrane permeability while retaining or improving other favorable drug-like properties. We employ an all-atom force field based method to calculate changes in free energy associated with the transfer of the peptidic molecules from water to membrane. This computational method correctly predicts rank order experimental permeability trends within congeneric series and is much more predictive than calculations (e.g., clogP) that do not consider three-dimensional conformation.
Cadmium effects on carbonic anhydrase, photosynthesis, dry mass and antioxidative enzymes in wheat (<i>Triticum aestivum</i>) under low and sufficient zinc (2008)

Abstract Leaf carbonic anhydrase (CA) activity, net photosynthetic rate (PN), stomatal conductance (gS) and plant dry mass (DM) exhibited a dose-dependent response to cadmium (Cd) in wheat (Triticum aestivum L.) grown under low and sufficient zinc (Zn) levels at 30 d after seedling emergence in sand culture. Cadmium at 10 µM concentration enhanced CA, PN and DM at low Zn level but these remain unaltered at sufficient Zn. Stomatal conductance decreased with increasing CdCl2 concentration at both the Zn levels. Cd higher than 10 µM inhibited the characteristics irrespective of Zn level. The activity of superoxide dismutase (SOD) was not saturated the with highest Cd concentration (50µM) at both the Zn levels. However, the activities of ascorbate peroxidase (APX) and glutathione reductase (GR) increased up to 25 µM Cd and decreased at 50 µM Cd at both the Zn levels. It is suggested that CA activity was induced at low Cd (10 µM) under low Zn level increasing the photosynthesis. The synergies among the activities of antioxidative enzymes helped to maintain CA and thus photosynthesis and plant DM at low Cd concentration under low Zn level.
A hybrid converter system for high performance large induction motor drives (2004)

A novel, hybrid converter system employing combination of a load-commutated inverter (LCI), a DC-DC buck converter, and a voltage-source inverter is proposed for the large induction motor drives. By avoiding the use of output capacitors and a forced decommutation circuit, this system can eliminate all disadvantages related to these circuits in the conventional LCI based induction motor drives. Improved quality of output current waveforms and faster dynamic response can be achieved. In addition, the use of the buck converter enables reduction of the delink inductor size and eliminating requirement for the controlled rectifier. The proposed hybrid scheme features the following tasks: 1) safe commutation angle for the LCI controlled by the voltage source inverter over all speed regions, and 2) a delink current control loop to ensure minimum voltage source inverter rating. Advantages of the proposed solution over the conventional LCI-based induction motor include the followings: 1) sinusoidal motor phase current and voltage based en the instantaneous motor speed control; 2) fast dynamic response through the operation of voltage source inverter and buck converter; 3) elimination of motor circuit resonance and motor torque pulsation; 4) compact and simple system implementation due to small size of the delink inductor. The feasibility of the proposed hybrid circuit for the high power drive system is verified by computer simulation for a 500 hp induction motor. Experimental results to support the use of the proposed system are also included for a 1 hp induction motor laboratory setup.
A Microarchitecture for a Superconducting Quantum Processor (2018)

This article proposes a quantum microarchitecture, QuMA. Flexible programmability of a quantum processor is achieved by multilevel instructions decoding, abstracting analog control into digital control, and translating instruction execution with non-deterministic timing into event trigger with precise timing. QuMA is validated by several single-qubit experiments on a superconducting qubit.
A MEAN-VARIANCE-SKEWNESS PORTFOLIO OPTIMIZATION MODEL (1995)

We will propose a mean-variance-skewness(MVS) portfolio optimization model, a direct extension of the classical mean-variance model to the situation where the skewness of the rate of return of assets and the third order derivative of a utility function play significant roles in choosing an optimal portfolio. The MVS model enables one to calculate an approximate mean-variance-skewness efficient surface, by which one can compute a portfolio with maximal expected utility for any decreasingly risk averse utility functions. Also, we propose three computational schemes for solving an associated nonconcave maximization problem, and some preliminary computational results will be reported.
Design and Implementation of Runtime Reconfigurable High Resolution Digital Pulse Width Modulator on FPGA (2014)

Digitally controlled pulse width modulator have gained increased attention because of a number of potential advantages including lower sensitivity to parameter variations, programmability, reduction or elimination of external passive components, as well as possibilities to implement more advanced control, calibration, or protection algorithms. This paper describes a design and implementation of runtime reconfigurable high-resolution digital pulse width modulator on low-cost general-purpose field-programmable gate arrays (FPGAs) without any manual placement and routing effort. This implementation does not depending on specialized phase locked loop (PLL) or high performance digital clock managers (DCM) which are presents exclusively in high-end vertex-6 FPGA. This implementation based on internal carry chains and logic resources, which are presents in most FPGA families. The proposed DPWM combines a counter based approach with a tapped delay line scheme for increased resolution without unnecessarily increasing the clock frequency. The experimental results show an implementation in a low-cost FPGA (Xilinx Spartan-3) that uses a 1 MHz clock frequency for a final time resolution under 1ps.
Retargeting Technical Documentation to Augmented Reality (2015)

We present a system which automatically transfers printed technical documentation, such as handbooks, to three-dimensional Augmented Reality. Our system identifies the most frequent forms of instructions found in printed documentation, such as image sequences, explosion diagrams, textual annotations and arrows indicating motion. The analysis of the printed documentation works automatically, with minimal user input. The system only requires the documentation itself and a CAD model or 3D scan of the object described in the documentation. The output is a fully interactive Augmented Reality application, presenting the information from the printed documentation in 3D, registered to the real object.
Molecular orbital approach to odor molecules: Normal fatty acids and cyclamenaldehydes (2000)

Eight normal fatty acids and 24 cyclamenaldehydes were analyzed based on the molecular orbital theory using Computer-Aided Chemistry Programs (CAChe Programs) with PM3 parameters. We found reactive sites with high values of electrophilic frontier densities (EFDs) at appointed positions in both molecules. EFD is a theoretical index that predicts reactive sites acting as electron donors. A change in the values of EFDs in normal fatty acids would account for the selectivity in the response of a single olfactory receptor cell to the fatty acids. Changes in the values of EFDs at appointed positions of cyclamenaldehydes also correlated with their odor characteristics and intensities. This fact indicates that cyclamenaldehydes have common reactive sites that play a critical role in interactions with a receptor. Changes in their reactivities alter the odor characteristics and intensities of the molecules judged by perfumers, indicating that human discrimination of cyclamenaldehyde odor is determined at the stage of interaction between cyclamenaldehydes and an odor receptor. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 79: 101–108, 2000
T7 Ribonucleic acid polymerase-promoter interactions (1981)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTT7 Ribonucleic acid polymerase-promoter interactionsHarry L. Osterman and Joseph E. ColemanCite this: Biochemistry 1981, 20, 17, 4884–4892Publication Date (Print):August 18, 1981Publication History Published online1 May 2002Published inissue 18 August 1981https://pubs.acs.org/doi/10.1021/bi00520a013https://doi.org/10.1021/bi00520a013research-articleACS PublicationsRequest reuse permissionsArticle Views103Altmetric-Citations23LEARN 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
Prediction of Critical Pipe Running Speed During Tripping in Drilling Operations (1999)

Blowout and loss of circulation are two serious accidents that can happen while drilling without the control on drillstring running speed during tripping operations. Exceeding the critical running speed during tripping-out (high swabbing pressure) and lack of control of mud rheology are the main causes for blowout. Also, exceeding the critical running speed while tripping-in (high surge pressure) and lack of control of mud rheology are the main causes for loss of circulation. Many factors which affect surge and swab pressures must be precisely selected in order to control kicks or blowouts and to prevent loss of circulation. Prediction of the critical pipe running-in and -out speeds during tripping operations is therefore very important. This can be done by the evaluation of several basic fluid flow equations. A computer program has been developed to simplify these calculations. The developed program requires fairly simple input data which can be measured in laboratory in addition to hole and drillstring dimensions. The output of this program then is transformed into graphical form from which the safe running-in and -out speeds during tripping can be predicted. As an alternative and direct way to predict the critical pipe running speed during tripping operations two correlations have been developed. These correlations account for the governing factors which affect the tripping-in and -out speeds including mud properties and drillstring and hole configuration. A comparison between the critical pipe running speed computed using the two methods has been outlined and very good accuracy based on the coefficient of linear correlation (r2) and the standard error of estimate (SEE) (r2 = 0.995 ; SEE = 0.39 for running-out correlation and r2 = 0.875 ; SEE = 0.817 for running-in correlation) have been obtained. Critical tripping speeds were found to be greatly dependent on mud weight and rheology, hole diameter and drillcollars-to-drillpipe length ratio.
Prospective External Validation of a Bladder Cancer Detection Model (2014)

We prospectively validated a highly accurate tool that combines clinical factors and a urinary biomarker to detect bladder cancer. This tool can help prioritize urological referrals for patients with hematuria.
A Framework for Securing Future eEnabled Aircraft Navigation and Surveillance (2009)

Current air traffic management systems suffer from poor radar coverage and a highly centralized architecture which can under heavy traffic loads overwhelm Air Traffic Control (ATC) centers. Such limitations can lead to inefficient use of the available airspace capacity and insecure scenarios such as low-visibility landings. Future air transportation systems with e-enabled aircraft and networked technologies, such as Automated Dependent Surveillance Broadcast (ADS-B), are cyber-physical systems that promise to help reduce traffic congestion and ATC inefficiencies by enabling exchange of precise surveillance data in shared airspace. This paper focuses on cyber security concerns with highly accurate surveillance of aircraft navigating in a future shared space. A framework is proposed to protect traffic data for both ground and airborne surveillance of aircraft. The framework identifies major threats and vulnerabilities from cyber exploits, specifies security requirements and mitigation solutions. Major security challenges anticipated in supporting networked infrastructure are given along with some open problems.
Regulation of Oligodendrocyte Progenitor Cell Maturation by PPAR <i>δ</i> : Effects on Bone Morphogenetic Proteins (2009)

In EAE (experimental autoimmune encephalomyelitis), agonists of PPARs (peroxisome proliferator-activated receptors) provide clinical benefit and reduce damage. In contrast with PPARγ, agonists of PPARδ are more effective when given at later stages of EAE and increase myelin gene expression, suggesting effects on OL (oligodendrocyte) maturation. In the present study we examined effects of the PPARδ agonist GW0742 on OPCs (OL progenitor cells), and tested whether the effects involve modulation of BMPs (bone morphogenetic proteins). We show that effects of GW0742 are mediated through PPARδ since no amelioration of EAE clinical scores was observed in PPARδ-null mice. In OPCs derived from E13 mice (where E is embryonic day), GW0742, but not the PPARγ agonist pioglitazone, increased the number of myelin-producing OLs. This was due to activation of PPARδ since process formation was reduced in PPARδ-null compared with wild-type OPCs. In both OPCs and enriched astrocyte cultures, GW0742 increased noggin protein expression; however, noggin mRNA was only increased in astrocytes. In contrast, GW0742 reduced BMP2 and BMP4 mRNA levels in OPCs, with lesser effects in astrocytes. These findings demonstrate that PPARδ plays a role in OPC maturation, mediated, in part, by regulation of BMP and BMP antagonists.
Economic Model Predictive Control and Nonlinear Control Actuator Dynamics - eScholarship (2017)

Control valves are the most prevalent final control element in the chemical process industries. However, the behavior of valves (i.e., the manner in which the valve output flow rate changes in response to changes in the control signal to the valve) can contribute to a number of negative effects in a control loop, such as set-point tracking issues and sustained closed-loop oscillations. Valve stiction, for example, is a dynamic valve nonlinearity (i.e., the relationship between the valve output flow rate and the control signal to the valve is described by nonlinear differential equations) resulting from friction that is known to be problematic in the process industries. This dissertation describes the impact of valve behavior on process control loops and methods for compensating for the valve behavior through appropriate control designs. It begins by describing how the addition of input rate of change constraints to an optimization-based control design with a general objective function (economic model predictive control (EMPC)) can be performed in a manner that may reduce actuator wear while simultaneously guaranteeing feasibility of the controller and closed-loop stability of a nonlinear process operated under the control design. It then focuses on a specific type of actuator (a valve) and elucidates that coupled, nonlinear interactions between the process and valve model states and any internal states of the controller model create the negative effects that may be observed in control loops containing valves for which the dynamics cannot be neglected (e.g., valves subject to significant stiction). These multivariable interactions illustrate the closed-loop nature of the negative effects observed, and this closed-loop perspective is then used to analyze stiction compensation methods from the literature, to develop a novel stiction compensation scheme for control loops under proportional-integral control, and to demonstrate that incorporating models, both first-principles and empirical, of valve behavior within the model used for making state predictions in a model predictive controller is an effective means for compensating for valve behavior in general. The benefits of adding actuation magnitude and input rate of change constraints within EMPC including a model of stiction dynamics are discussed. Throughout the work, process examples are utilized to illustrate the advanced control-based frameworks for understanding and compensating for valve limitations.
Linear quadratic Gaussian control of a deformable mirror adaptive optics system with time-delayed measurements (1993)

We present a technique for controlling a ground-based deformable mirror adaptive optics telescope to compensate for optical wave-front phase distortion induced by a turbulent atmosphere. Specifically, a predictive linear quadratic Gaussian (LQG) controller is designed that generates commanded control voltages to the mirror actuators based on a set of time-delayed wave-front slope measurements from a Hartmann-type wave-front sensor.
An Extensive Literature Review on the Usage of Fly Ash as a Reinforcing Agent for Different Matrices (2014)

 Abstract— In recent years composites reinforced with fly ash particulates have attracted considerable interest due to their inherent good mechanical properties and low cost. In this investigation an attempt has been made to provide an extensive literature review on the overall performance of these fly ash reinforced composites. Literatures in each category are reviewed according to the key factors mentioned. The literature review framework in this paper provides a clear overview of the usage of fly ash as a reinforcing agent in different matrices along with its distinctive performances
HANDLING CONTROL WITH ADDITIONAL REAR WHEEL STEERING (1992)

This paper shows how vehicle safety can be improved by fitting additional rear wheel steering. Details are provided of: a) lateral vehicle dynamics; and b) controller design. The results using a simulation were compared with results obtained when driving a car. The items measured included: a) steering response, including steering response during a double lane change; b) disturbance response; and c) robustness, including vehicle reaction when cornering. For the covering abstract see IRRD 870290.
The Copper-Mediated Cross-Coupling of Phenylboronic Acids and <i>N</i>-Hydroxyphthalimide at Room Temperature:  Synthesis of Aryloxyamines (2000)

[figure: see text] A novel route to aryloxyamines via the copper-mediated cross-coupling of N-hydroxyphthalimide and phenylboronic acids is reported. The reaction is mediated by selected copper(I) and (II) salts in the presence of pyridine and is tolerant of several functional groups on the phenylboronic acid. The phthallmide group is removed using hydrazine to afford the corresponding aryloxyamine.
A Role for p53 in Maintaining and Establishing the Quiescence Growth Arrest in Human Cells (2002)

The p53 tumor suppressor protein induces transient growth arrest or apoptosis in response to genotoxic stress and mediates the irreversible growth arrest of cellular senescence. We present evidence here that p53 also contributes to the reversible, growth factor-dependent arrest of quiescence (G(0)). Microinjection of expression vectors encoding either MDM2 or a pRb-binding mutant of SV40 T antigen, both of which abrogate p53 function, stimulated quiescent normal human fibroblasts to initiate DNA synthesis and were 40-70% as effective as wild-type T antigen. Electrophoretic mobility shift and p53 transactivation assays showed that p53 activity was higher in quiescent and senescent cells compared with proliferating cells. As proliferating cells entered G(0) after growth factor withdrawal, the p53 mRNA level increased, followed by transient accumulation of the protein. Shortly thereafter, the expression (mRNA and protein) of p21, a p53 target gene and effector of cell cycle arrest, increased. Finally, stable expression of the HPV16 E6 oncogene or dominant negative p53 peptide, GSE-22, both of which inhibit p53 function, delayed entry into quiescence following growth factor withdrawal. Our data indicate that p53 is activated during both quiescence and senescence. They further suggest that p53 activity contributes, albeit not exclusively, to the quiescent growth arrest.
Effect of baseband clipping in wideband CDMA system (2003)

In a WCDMA system the downlink signal has typically a high peak to average ratio (PAR). In order to achieve a good efficiency in the power amplifier the PAR must be reduced i.e. the signal must be clipped. A mathematical model for signal quality metrics error vector magnitude and peak code domain error as a function of the clipping ratio is derived and tested through simulations in the case of baseband clipping. The model can be used for adjusting the clipping level in a WCDMA base station so that the downlink signal still fulfils the specifications.
A multistage RAKE receiver for improved capacity of CDMA systems (2002)

This paper presents a multistage receiver for code division multiple access (CDMA) systems. Previous multistage receivers have lead to improved multiple access (MA) performance, but require knowledge of received signal powers. This paper proposes a "multistage RAKE" receiver which does not require a priori knowledge of the signal powers or the channel. Performance of the multistage RAKE is simulated for Gaussian and multipath channel models, and for the case of imperfect power control.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Synthesis of C-arylglycosides via Ru(ii)-catalyzed [2 + 2 + 2] cycloaddition (2004)

In the presence of catalytic amounts of Cp*RuCl(cod), the cycloaddition of 1,6-diynes with various C-alkynylglycosides proceeded at ambient temperature to afford C-arylglycosides in 46-93% yields.
Extremely efficient cleavage of eIF4G by picornaviral proteinases L and 2A in vitro (2000)

Certain picornaviruses encode proteinases which cleave the translation initiation factor eIF4G, a member of the eIF4F complex which recruits mRNA to the 40S ribosomal subunit during initiation of protein synthesis in eukaryotes. We have compared the efficiency of eIF4G cleavage in rabbit reticulocyte lysates during translation of mRNAs encoding the foot-and-mouth disease virus leader proteinase (Lpro) or the human rhinovirus 2Apro. Under standard translation conditions, Lpro cleaved 50% of eIF4G within 4 min after initiation of protein synthesis, whereas 2Apro required 15 min. At these times, the molar ratios of proteinase to eIF4G were 1:130 for Lpro and 1:12 for 2Apro, indicating a much more efficient in vitro cleavage than previously observed. The molar ratios are similar to those observed during viral infection in vivo.