gebhart/patrepeval huggingface dataset:
Novel Versatile Synthesis of Substituted Tetrabenzoporphyrins (2003)

A novel general synthetic route to tetraaryltetrabenzoporphyrins (Ar(4)TBP) with various peripheral functional groups is developed. The procedure includes (i) Barton-Zard condensation of 1-nitro- or 1-phenylsulfonylcyclohexenes with isocyanoacetic acid esters, (ii) condensation of the resulting 4,5,6,7-tetrahydroisoindoles with aromatic aldehydes to give fused tetraaryltetracylohexenoporphyrins (Ar(4)TCHP), and (iii) aromatization of the metal complexes of Ar(4)TCHP's into the corresponding Ar(4)TBP's. Cu and Zn complexes of Ar(4)TBP's are further demetalated to give the corresponding Ar(4)TBP free bases. The overall yields for the sequence range from 15% to 40%, making the method suitable for the preparation of gram quantities of Ar(4)TBP's in a single run. The scope of the method, the selection of the peripheral substituents, the choice of the metal ions, and their influence on the yields of aromatization are discussed. The basic spectroscopic properties of newly synthesized Ar(4)TBP's and Ar(4)TCHP's are reported together with the first X-ray crystallographic structure of the NiAr(4)TBP complex.
A wearable biochemical sensor for monitoring alcohol consumption lifestyle through Ethyl glucuronide (EtG) detection in human sweat (2016)

We demonstrate for the first time a wearable biochemical sensor for monitoring alcohol consumption through the detection and quantification of a metabolite of ethanol, ethyl glucuronide (EtG). We designed and fabricated two co-planar sensors with gold and zinc oxide as sensing electrodes. We also designed a LED based reporting for the presence of EtG in the human sweat samples. The sensor functions on affinity based immunoassay principles whereby monoclonal antibodies for EtG were immobilized on the electrodes using thiol based chemistry. Detection of EtG from human sweat was achieved through chemiresistive sensing mechanism. In this method, an AC voltage was applied across the two coplanar electrodes and the impedance across the sensor electrodes was measured and calibrated for physiologically relevant doses of EtG in human sweat. EtG detection over a dose concentration of 0.001-100 μg/L was demonstrated on both glass and polyimide substrates. Detection sensitivity was lower at 1 μg/L with gold electrodes as compared to ZnO, which had detection sensitivity of 0.001 μg/L. Based on the detection range the wearable sensor has the ability to detect alcohol consumption of up to 11 standard drinks in the US over a period of 4 to 9 hours.
Signal source separation and localization in the analysis of dynamic near-infrared optical tomographic time series (2003)

The emerging sub-field of <i>dynamic</i> medical optical tomography shows great potential for conferring significantly enhanced early diagnosis and treatment monitoring capabilities upon researchers and clinicians. In previous reports we have showed that adoption of elementary time-series analysis techniques can bring about large large improvements in localization and contrast in optical tomographic images. Here we build upon the earlier work, and show that well-known techniques for extraction and localization of signals embedded in a noisy background, and for deconvolution of signal mixtures, also can be successfully applied to the problem of interpreting dynamic optical tomography data sets. A general linear model computation is used for the signal extraction/localization problem, while the deconvolution problem is addressed by means of a blind source separation technique extensively reported.
Improved Diesel Engine Load Control for Heavy-Duty Transient Testing Using Gain Scheduling and Feed-forward Algorithms (2022)

&lt;div&gt;Heavy-duty (HD) engines for sale in the United States must be demonstrated to emit below allowable criteria and particulate emission limits over the operational load and speed cycle specified by the Federal Test Procedure (FTP) Heavy-Duty certification test. The inherently nonlinear load response of internal combustion engines tends to increase torque variability during the most dynamic portions of the test cycle. This clouds assessment of engine developments intended to improve transient performance and leads to frequent invalidation of certification tests. This work sought to develop and evaluate test torque control strategies that reduce this variability. Several load-control algorithms were evaluated for this purpose using a Cummins ISX15 HD diesel engine loaded with a transient alternating current (AC) dynamometer. The evaluations were performed over an abbreviated version of the FTP test which included the most transient portions of the drive cycle and were based on the regression characteristics specified by the EPA. These algorithms included a basic proportional-integral (PI) feedback algorithm, which was designated as the baseline for this work, an open-loop feed-forward-only (OLFF) algorithm, a gain-scheduled PI (GSPI) algorithm, a combined feed-forward and PI (FFPI) algorithm, and a gain-scheduled feed-forward PI (GSFF) algorithm. Each algorithm uniquely changed the torque control depending on the specific part of the cycle observed and the metric used to quantify performance; however, the FFPI and the GSFF had significantly better overall performance than the other algorithms tested. The FFPI had the greatest performance in regression intercept, coefficient of determination (R&lt;sup&gt;2&lt;/sup&gt;), and standard error of estimate (SEE), with 70.1%, 7.3%, and 56.0% respective improvements relative to the baseline algorithm. The GSFF algorithm demonstrated the greatest regression slope performance with an improvement relative to the baseline of 23.0%. Such improvement not only reduced the number of tests invalidated by exceeding regression limits, but the associated improvement in repeatability could allow more accurately quantifying engine and aftertreatment development impacts on transient performance. Such improved development efforts should help facilitate closing the gap between transient and steady-state performance, leading to efficiency improvements and greenhouse gas and criteria emission reductions.&lt;/div&gt;
<title>Integrated control of rotating stall and surge in aeroengines</title> (1995)

Aeroengines operate in regimes for which both rotating stall and surge impose low flow operability limits. Thus, active control strategies designed to enhance operability of aeroengines must address both rotating stall and surge as well as their interaction. In this paper, a nonlinear control strategy is designed based on an analytical model to achieve simultaneous active control of rotating stall and surge in an axial flow compression system with relevant dynamics representative of modern aeroengines. The controller is experimentally validated on a 3-stage low-speed axial flow compression system. This rig is dynamically scaled to replicate the interaction between rotating stall and surge typical of modern aeroengines, and several experimental results are presented for this rig. For actuation, the control stategy utilizes a single plenum bleed valve with bandwidth on the order of the rotor frequency. For sensing, measurements of the circumferential asymmetry and annulus-averaged unsteadiness of the flow through the compressor are used. Experimental validation of simultaneous control of rotating stall and surge with minimal sensing and actuation requirements is viewed as an important step towards applying active control to enhance operability of compression systems in modern aeroengines.
EFFECT OF SCALE DEPOSITION ON SURFACE TENSION OF SEAWATER AND MEMBRANE DISTILLATION (2015)

High liquid entry pressure (LEP) is one of the desired characteristics of a membrane distillation (MD) membrane. Maintaining LEP above operating feed pressure conditions is critical to prevent permeate quality worsening by saline feed liquid passage through the membrane. Air gap membrane distillation experiments under controlled salinity and temperature operating conditions indicate that in addition to flux decline, inorganic scaling can also lead to feed breakthrough and permeate salinity increase in some cases. The relationship between calcium sulfate and carbonate scaling and breakthrough was further illustrated by comparing the permeate quality obtained using clean and fouled membrane with seawater brine of S = 120 g/kg as feed at t = 70 °C. While contact angle changes and pore size variation have been considered to explain salt passage and LEP decrease, the effect of surface tension of the feed liquid under MD operating conditions has not been investigated. In a previous work, the authors measured reference data and created correlations for surface tension of seawater for 1 ≤ t ≤ 92 °C and salinities 0 ≤ S ≤ 131 g/kg. In the present study, new measurements investigating the effect of scaling on the surface tension of seawater are presented. Bulk precipitation was observed in seawater solutions for t > 50 °C. Membrane distillation operating conditions were simulated in the surface tension measurements where the test-beaker was reused between experiments after rinsing, which left behind a thin layer of scalant on the glass surface. Repeatable results under these conditions show marked decrease in surface tension (up to 30% at S = 120 g/kg) from standard correlations. This reduction in surface tension can cause LEP to reduce and increase salt passage in MD systems at t > 50 °C, as has been reported in the literature. The role of surface tension changes on MD separation effectiveness is recognized.
Vpu-Mediated Counteraction of Tetherin Is a Major Determinant of HIV-1 Interferon Resistance (2016)

Understanding which human-specific adaptations allowed HIV-1 to cause the AIDS pandemic is of great importance. One feature that distinguishes pandemic HIV-1 group M strains from nonpandemic or rare group O, N, and P viruses is the acquisition of mutations in the accessory Vpu protein that confer potent activity against human tetherin. Adaptation was required because human tetherin has a deletion that renders it resistant to the Nef protein used by the SIV precursor of HIV-1 to antagonize this antiviral factor. It has been suggested that these adaptations in Vpu were critical for the effective spread of HIV-1 M strains, but direct evidence has been lacking. Here, we show that these changes in Vpu significantly enhance virus replication and release in human CD4(+) T cells, particularly in the presence of IFN, thus supporting an important role in the spread of pandemic HIV-1.
Microstructure in injection molded samples of liquid crystalline poly(P‐hydroxy‐benzoic acid‐Co‐ethylene terephthalate) (1988)

Abstract The microstructure of injection molded bars (2.9 and 5.8 mm thick) of thermotropic liquid crystalline poly(p‐hydroxy‐benzoic acid‐co‐ethylene terephthalate) has been studied by SEM on samples etched with n‐propylamine, SEM fractography, DSC, IR, ESCA, WAXS and polarized microscopy. The 2.9 mm bar consists of three different layers: a highly oriented surface skin, an oriented intermediate layer and a non‐oriented core. The 5.8 mm bar has a more complex microstructure and is composed of five different layers: a highly oriented surface skin, an oriented layer just beneath, a non‐oriented layer, another oriented layer and a non‐oriented core. The thicknesses of the different layers vary, significantly, with distance from the mold gate. The thickness of the core increases, significantly, with increasing distance from the mold gate at the expense of the oriented layers. The structure within the different morphological layers is not perfectly uniform. Tensile testing demonstrated the mechanical anisotropy of the surface material (a ratio of almost 20 between the longitudinal and transverse moduli) and the isotropy of the central core material.
Seed lifespan and telomeres. (2003)

To determine whether: (1) telomeres could be used as reliable molecular markers for loss of viability or vigour of dry-stored seeds; (2) loss of telomeres from chromosomes on storage is a function of general DNA fragmentation to a lower molecular weight; (3) there are conditions in which telomere-containing sequences are preferentially cleaved from the rest of the nuclear DNA, a model rye system, where viability is lost after 3-4 years in normal dry storage (<10% moisture content (MC), 8-15°C) and under conditions of accelerated aging (at 74% RH and 40°C) when viability is completely lost within 13 days, was used. DNA of seeds stored for both 2 or 7 years at 10% MC (32 and 0% viable, respectively) lost telomere sequences from high-molecular-weight DNA over time, with a telomere hybridizing sequence accumulation in low-molecular-weight fragments. In a one-year-stored rye with 78% viability, recovery of low-molecular-weight telomere fragments to high-molecular-weight DNA was observed. DNA from fresh seed, normally aged dead seed and 7-day-accelerated-aged seed embryos showed some telomere loss for the first 7 days under high temperature and high humidity conditions compared with normal aging. However, incubation extending to 72 days led to major telomere loss from DNA, with almost no accumulation in the low-molecular-weight fractions. Under accelerated aging conditions, the overall long-term shift of detectable telomeres in the DNA fragments from high to low molecular weight and their accumulation at low molecular weight, as found for natural aging, was not observed. Instead, an overall telomere deletion from chromosomal DNA was observed. Telomere loss from the high-molecular-weight DNA was evident, particularly in the 22-day accelerated aged dead material, where the greatest telomere abundance occurred at intermediate DNA mobilities, not in small DNA fragments. At <10% MC, nucleosomes were not formed during DNA fragmentation. Seeds held at high moisture content resulted in degraded nucleosomes which were essentially eliminated by 72 days.
Optimization and synthesis of an 18F‐labeled dopamine D3 receptor ligand using [18F]fluorophenylazocarboxylic tert‐butylester (2015)

There is still no efficient fluorine-18-labeled dopamine D3 subtype selective receptor ligand for studies with positron emission tomography. We aim at improving the D3 selectivity and hydrophilicity of a candidate ligand by changing the substitution pattern to a 2,3-dichlorophenylpiperazine and hydroxylation of the butyl chain. The compound [(18) F]3 exhibited D3 affinity of Ki = 3.6 nM, increased subtype selectivity (Ki (D2 /D3 ) = 60), and low affinity to 5-HT1A and α1 receptors (Ki (5-HT1A /D3 ) = 34; Ki (α1 /D3 ) = 100). The two-step radiosynthesis was optimized for analog [(18) F]4 by reducing the necessary concentration of the precursor amine (57 mM), which reacted with [(18) F]fluorophenylazocarboxylic tert-butylester under basic conditions. The optimization of the base (Cs 2 CO3 , 23 mM) and the adjustment of reaction temperature led to the radiochemical yield of 63% after 5 min at 35°C. The optimized reaction conditions were transferred on to the synthesis of [(18) F]3 with an overall non-decay corrected yield of 8-12% in a specific activity of 32-102 GBq/µmol after a total synthesis time of 30-35 min. This provides a D 3 radioligand candidate with improved attributes concerning selectivity and radiosynthesis for further preclinical studies.
Software for vibroacoustic monitoring of machinery on the basis of an S-discriminant method (2012)

The work is devoted to a problem of automating the monitoring of machinery. Data from bundled software for vibroacoustic monitoring are presented. The methods forming the basis of the software system and their implementation in the software are described. Information concerning the use of the software to control the operation of gas turbine engines is presented.
Scalar diffraction theory approach to estimating multimode-waveguide field-amplitude mode distributions (1998)

We introduce a method to estimate the coupling coefficients of the guided field amplitude and the corresponding angular bandwidth in a multimode slab waveguide. This scalar diffraction theory approach is simpler than the more rigorous electromagnetic treatment and is directly applicable to communications systems that use large (dimensions or numerical aperture) waveguides, as in substrate-mode interconnects. Moreover, this method provides conceptual insight as to a parameter's effect on the field-amplitude mode distribution and angular bandwidth.
Charge Separation at Mixed-Dimensional Single and Multilayer MoS2/Silicon Nanowire Heterojunctions (2018)

Layered two-dimensional (2-D) semiconductors can be combined with other low-dimensional semiconductors to form nonplanar mixed-dimensional van der Waals (vdW) heterojunctions whose charge transport behavior is influenced by the heterojunction geometry, providing a new degree of freedom to engineer device functions. Toward that end, we investigated the photoresponse of Si nanowire/MoS<sub>2</sub> heterojunction diodes with scanning photocurrent microscopy and time-resolved photocurrent measurements. Comparison of n-Si/MoS<sub>2</sub> isotype heterojunctions with p-Si/MoS<sub>2</sub> heterojunction diodes under varying biases shows that the depletion region in the p-n heterojunction promotes exciton dissociation and carrier collection. We measure an instrument-limited response time of 1 μs, which is 10 times faster than the previously reported response times for planar Si/MoS<sub>2</sub> devices, highlighting the advantages of the 1-D/2-D heterojunction. Finite element simulations of device models provide a detailed understanding of how the electrostatics affect charge transport in nanowire/vdW heterojunctions and inform the design of future vdW heterojunction photodetectors and transistors.
Participation, Survey, and Start-Up License Agreement Data from the LEAP Program at Washington University in St. Louis (2020)

This data was compiled and analyzed to for a publication describing the operations and impact of the LEAP program at the Skandalaris Center for Interdisciplinary Innovation and Entrepreneurship at Washington University in St. Louis (WUSTL). It includes anonymized LEAP project, participation, and post-cycle survey data from the LEAP 2015 Spring cycle until the 2020 Fall cycle. It also also includes anonymized start-up license agreement data from the WUSTL Office of Technology Management (OTM).\nPaper abstract: The last fifty years have seen an increasing dependence on academic institutions to develop and commercialize new biomedical innovations, a responsibility for which many universities are ill-equipped. To address this need, we created LEAP, an asset development and gap fund program at Washington University in St. Louis (WUSTL). Beyond awarding funds to promising projects, this program aimed to promote a culture of academic entrepreneurship, and thus improve WUSTL technology transfer, by providing university inventors with individualized consulting and industry expert feedback. The purpose of this work is to document the structure of the LEAP program and evaluate its impact on the WUSTL entrepreneurial ecosystem. Our analysis utilizes program data, participant surveys, and WUSTL technology transfer office records to demonstrate that LEAP consistently attracted new investigators and that the training provided by the program was both impactful and highly valued by participants. We also show an increase in annual WUSTL start-up formation during the years after LEAP was established and implicate the program in this increase. Taken together, our results illustrate that programs like LEAP could serve as a model for other institutions that seek to support academic entrepreneurship initiatives.
Molecular structure of ferrocenethiol islands embedded into alkanethiol self‐assembled monolayers by UHV‐STM (2006)

Abstract [11‐(Acetylthio)‐1‐oxoundecyl]‐ferrocene and 1,1″‐Dithiobis‐ferrocene are inserted into alkanethiolate self‐assembled monolayers from solution. Upon annealing, the inserted molecules form separated domains, which protrude as islands from the surrounding monolayer. The resulting thin‐films are studied by UHV‐STM. For both compounds the density of the molecules in close packed SAMs is determined. Furthermore for ferroceneundecanethiols the molecular structure and orientation of the endgroups is resolved. (© 2006 WILEY‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)
Towards Automated Augmentation and Instrumentation of Legacy Cryptographic Executables: Extended Version (2020)

Implementation flaws in cryptographic libraries, design flaws in underlying cryptographic primitives, and weaknesses in protocols using both, can all lead to exploitable vulnerabilities in software. Manually fixing such issues is challenging and resource consuming, especially when maintaining legacy software that contains broken or outdated cryptography, and for which source code may not be available. While there is existing work on identifying cryptographic primitives (often in the context of malware analysis), none of this prior work has focused on replacing such primitives with stronger (or more secure ones) after they have been identified. This paper explores feasibility of designing and implementing a toolchain for Augmentation and Legacy-software Instrumentation of Cryptographic Executables (ALICE). The key features of ALICE are: (i) automatically detecting and extracting implementations of weak or broken cryptographic primitives from binaries without requiring source code or debugging symbols, (ii) identifying the context and scope in which such primitives are used, and performing program analysis to determine the effects of replacing such implementations with more secure ones, and (iii) replacing implementations of weak primitives with those of stronger or more secure ones. We demonstrate practical feasibility of our approach on cryptographic hash functions with several popular cryptographic libraries and real-world programs of various levels of complexity. Our experimental results show that ALICE can locate and replace insecure hash functions, even in large binaries (we tested ones of size up to 1.5MB), while preserving existing functionality of the original binaries, and while incurring minimal execution-time overhead in the rewritten binaries. We also open source ALICE's code at https://github.com/SRI-CSL/ALICE.
Analytical Solutions for Pressure Buildup and Falloff Analysis of Water Injection Tests of Partially Penetrating Wells: Nonunit Mobility Ratios (1984)

ABSTRACT Approximate analytic solutions are presented for pressure build-up and fall-off analysis of water injection tests of partially penetrating wells. The three basic cases of interests, infinite, bounded and constant pressure outer boundary reservoirs are considered. The validity of the analytic solutions are demonstrated by comparison with the results of a conventional black oil finite difference program. The method allows reservoir characteristics to be determined from short-term water injection tests.