gebhart/patrepeval huggingface dataset:
Design of Potent Dicyclic (1−5/4−10) Gonadotropin Releasing Hormone (GnRH) Antagonists (2000)

In three earlier papers, the structures and biological potencies of numerous mono- and dicyclic antagonists of GnRH were reported. Among these, two families, each containing two to four members were identified that had very high antagonist potencies in an antiovulatory assay (within a factor of 2 of those of the most potent linear analogues) and high affinities (K(i) < 0.5 nM) for the rat GnRH receptor (rGnRHR). The most favored cycles bridged the side chains of residues (4-10),(1,2) (5-8),(2) (4-10/5-8),(2) (1-3),(3) and (1-3/4-10).(3) Our goal was to identify a consensus model of bioactive conformations of GnRH antagonists, yet these biocompatible constraints did not sufficiently restrain the spatial location of the N-terminal tripeptide with respect to the C-terminal heptapeptide, due largely to the rotational freedom about the bonds connecting these regions. Examination of models derived from NMR studies of cyclo(4-10) analogues suggested a large number of possible cyclic constraints such as cyclo (0-8), (1-8), or (2-8). All analogues tested with these substitutions were inactive as antiovulatory agents at 1 mg/rat (5-9) and had low affinity for rGnRHR. On the other hand, bridging positions 3 and 8 with a [DAsp(3)] to [Dbu(8)] (12, K(i) = 13 nM) or [Orn(8)] (13, K(i) = 14 nM) in the parent compound cyclo(3-8)[Ac-DNal(1),DCpa(2),DXaa(3), Arg(5),DNal(6),Xbb(8),DAla(10)]GnRH yielded analogues that blocked ovulation at 250 microgram/rat. Analogue 14 (K(i) = 2.3 nM), with a [DAsp(3), Lys(8)] bridge, was fully active at 50 microgram/rat. Loss of potency (>20-fold) was observed with the substitution of [DAsp(3)] in 14 by [DGlu(3)] in 15 (K(i) = 23 nM). Dicyclic analogues possessing the (4-10) cycle and selected (1-6), (2-6), and (2-8) cycles led to analogues that were inactive at doses of 500 microgram/rat or larger. Two analogues with (1-8/4-10) cycles (16, K(i) = 1.1 nM) or (3-8/4-10) cycles (22, K(i) = 17 nM) showed full antiovulatory potency at 250 microgram/rat. None of these substitutions yielded analogues potent enough (>80% inhibition of ovulation at 5 microgram/rat or less and K(i) < 0.5 nM) to be candidates for structural analysis by NMR. On the other hand, four dicyclic (1, 1'-5/4-10) analogues met this criterion: dicyclo(1, 1'-5/4-10)[Ac-Asp(1)(Gly),DCpa(2),DTrp(3),Asp(4),Dbu(5 ), DNal(6), Dpr(10)]GnRH (32, K(i) = 0.22 nM), dicyclo(1, 1'-5/4-10)[Ac-Asp(1)(Gly),DCpa(2),DNal(3),Asp(4),Dbu(5 ), DNal(6), Dpr(10)]GnRH (34, K(i) = 0.38 nM), dicyclo(1, 1'-5/4-10)[Ac-Asp(1)(betaAla),DCpa(2), DTrp(3),Asp(4),Dbu(5),DNal(6), Dpr(10)]GnRH (40, K(i) = 0.15 nM), and dicyclo(1, 1'-5/4-10)[Ac-Glu(1)(Gly), DCpa(2),DTrp(3),Asp(4),Dbu(5),DNal(6), Dpr(10)]GnRH (41, K(i) = 0.24 nM). Since they differed slightly in terms of the (1,1'-5) bridge length (21 and 22 atoms) and bridgehead configuration, we may hypothesize that they assume similar bioactive conformations that satisfy a very discriminating receptor, since many other closely related analogues were significantly less potent.
Scatter Correction Method for X-Ray CT Using Primary Modulation: Theory and Preliminary Results (2006)

An X-ray system with a large area detector has high scatter-to-primary ratios (SPRs), which result in severe artifacts in reconstructed computed tomography (CT) images. A scatter correction algorithm is introduced that provides effective scatter correction but does not require additional patient exposure. The key hypothesis of the algorithm is that the high-frequency components of the X-ray spatial distribution do not result in strong high-frequency signals in the scatter. A calibration sheet with a checkerboard pattern of semitransparent blockers (a "primary modulator") is inserted between the X-ray source and the object. The primary distribution is partially modulated by a high-frequency function, while the scatter distribution still has dominant low-frequency components, based on the hypothesis. Filtering and demodulation techniques suffice to extract the low-frequency components of the primary and hence obtain the scatter estimation. The hypothesis was validated using Monte Carlo (MC) simulation, and the algorithm was evaluated by both MC simulations and physical experiments. Reconstructions of a software humanoid phantom suggested system parameters in the physical implementation and showed that the proposed method reduced the relative mean square error of the reconstructed image in the central region of interest from 74.2% to below 1%. In preliminary physical experiments on the standard evaluation phantom, this error was reduced from 31.8% to 2.3%, and it was also demonstrated that the algorithm has no noticeable impact on the resolution of the reconstructed image in spite of the filter-based approach. Although the proposed scatter correction technique was implemented for X-ray CT, it can also be used in other X-ray imaging applications, as long as a primary modulator can be inserted between the X-ray source and the imaged object.
Mycoplanecins, novel antimycobacterial antibiotics from Actinoplanes awajinensis subsp. mycoplanecinus subsp. nov.. III. Structural determination of mycoplanecin A. (1983)

The structure of mycoplanecin A was determined by the analysis of chemical degradation products and by mass and 1H and 13C NMR spectrometries. Mycoplanecin A is a new cyclic peptide antibiotic composed of mol each of alpha-ketobutyric acid, glycine, L-leucine, L-proline, L-2-amino-5-methylhexanoic acid, N-methyl-D-leucine, N-methyl-L-threonine, methyl-L-proline and ethyl-L-proline and two mol of N-methyl-L-valine. Among these components, ethyl-L-proline is reported for the first time as a component of natural products. A newly developed mass analysis has been introduced for the differentiation of alpha-amino acid and its N-methyl derivative.
Dynamic 2D implementation of 3D diffractive optics (2018)

Volumetric computer-generated diffractive optics offer advantages over planar 2D implementations, including the generation of space-variant functions and the multiplexing of information in space or frequency domains. Unfortunately, despite remarkable progress, fabrication of high volumetric space-bandwidth micro- and nano-structures is still in its infancy. Furthermore, existing 3D diffractive optics implementations are static while programmable volumetric spatial light modulators (SLMs) are still years or decades away. In order to address these shortcomings, we propose the implementation of volumetric diffractive optics equivalent functionality via cascaded planar elements. To illustrate the principle, we design 3D diffractive optics and implement a two-layer continuous phase-only design on a single SLM with a folded setup. The system provides dynamic and efficient multiplexing capability. Numerical and experimental results show this approach improves system performance such as diffraction efficiency, spatial/spectral selectivity, and number of multiplexing functions relative to 2D devices while providing dynamic large space-bandwidth relative to current static volume diffractive optics. The limitations and capabilities of dynamic 3D diffractive optics are discussed.
Wildfire smoke detection using spatiotemporal bag-of-features of smoke (2013)

This paper presents a wildfire smoke detection method based on a spatiotemporal bag-of-features (BoF) and a random forest classifier. First, candidate blocks are detected using key-frame differences and non-parametric color models to reduce the computation time. Subsequently, spatiotemporal three-dimensional (3D) volumes are built by combining the candidate blocks in the current key-frame and the corresponding blocks in previous frames. A histogram of gradient (HOG) is extracted as a spatial feature, and a histogram of optical flow (HOF) is extracted as a temporal feature based on the fact that the diffusion direction of smoke is upward owing to thermal convection. Using these spatiotemporal features, a codebook and a BoF histogram are generated from training data. For smoke verification, a random forest classifier is built during the training phase by using the BoF histogram. The random forest with BoF histogram can increase the detection accuracy and allow smoke detection to be carried out in near real-time.
Utilization of Fast Response Pressure Measurements to Non-Intrusively Monitor Blade Vibration in Axial Compressors (2019)

Abstract A novel non-intrusive method has been developed to monitor rotor blade vibration using unsteady casing pressure. The present blade vibration monitoring technique utilizes casing unsteady pressure sensors that can detect the pressure waves associated with blade vibration. Spinning mode theory was used to identify the specific frequencies and nodal diameters (NDs) of the spinning pressure waves associated with the blade vibration. A dual temporal-spatial analysis method has been developed to extract the specific frequency components using Fourier transforms, and the specific ND component was extracted using a circumferential mode-fitting algorithm. An experimental study was done in the Purdue 3-stage axial research compressor to verify the new rotor blade vibration monitoring method against the blade tip timing (BTT) method. During the experiment, the compressor was swept through the resonant crossing speed corresponding to the first torsion (1T) vibratory mode of the embedded rotor, while the unsteady casing pressure data and BTT data were simultaneously acquired. Utilizing as few as two sensors, the pressure wave due to blade forced vibration was extracted. A constant scaling factor between the resultant pressure wave strength and blade deflection amplitude was calculated for two different loading conditions. The close match between blade vibration-generated pressure wave strength and blade deflection amplitude through the resonant range provides the validation for the new rotor blade vibration monitoring method. This is the first time in the open literature that blade vibration-related pressure waves have been extracted from casing pressure sensor arrays and used to quantify blade vibration.
Optical modifications enabling simultaneous confocal imaging with dyes excited by ultraviolet‐ and visible‐wavelength light (1993)

SUMMARY Optical modifications to a confocal scanning laser microscope are described which allow simultaneous fluorescence imaging of living specimens excited by ultraviolet (UV)‐ and visible‐wavelength light. Modifications to a Bio‐Rad MRC 600 Lasersharp confocal microscope include the introduction of UV‐path‐specific lenses and a specially designed UV transmitting eyepiece and tube lens. Upon UV excitation these modifications provide similar resolution and field flatness when compared with visible confocal microscopy. The UV‐path‐specific optics could be adjusted to correct for varying amounts of longitudinal chromatic aberration in commercially available objectives. Eyepiece and tube lenses were chromatically corrected for UV through visible wavelengths to minimize lateral chromatic error. With these modifications, UV‐wavelength light may be used to excite ratioing dyes to quantify intracellular ion concentrations, or as an energy source to release caged compounds in a spatially restricted volume, while simultaneously imaging with dyes excited by visible‐wavelength light.
Self-supervised Single-view 3D Reconstruction via Semantic Consistency (2020)

We learn a self-supervised, single-view 3D reconstruction model that predicts the 3D mesh shape, texture and camera pose of a target object with a collection of 2D images and silhouettes. The proposed method does not necessitate 3D supervision, manually annotated keypoints, multi-view images of an object or a prior 3D template. The key insight of our work is that objects can be represented as a collection of deformable parts, and each part is semantically coherent across different instances of the same category (e.g., wings on birds and wheels on cars). Therefore, by leveraging self-supervisedly learned part segmentation of a large collection of category-specific images, we can effectively enforce semantic consistency between the reconstructed meshes and the original images. This significantly reduces ambiguities during joint prediction of shape and camera pose of an object, along with texture. To the best of our knowledge, we are the first to try and solve the single-view reconstruction problem without a category-specific template mesh or semantic keypoints. Thus our model can easily generalize to various object categories without such labels, e.g., horses, penguins, etc. Through a variety of experiments on several categories of deformable and rigid objects, we demonstrate that our unsupervised method performs comparably if not better than existing category-specific reconstruction methods learned with supervision.
Application of metal-induced unilaterally crystallized polycrystalline silicon thin-film transistor technology to active-matrix organic light-emitting diode displays (2002)

Active matrix (AM) flat-panel displays (FPDs) based on organic light-emitting diodes (OLEDs) are being hotly pursued as alternatives to liquid crystal displays (LCDs). Unlike LC pixels, which are voltage-driven, OLED pixels are current-driven, Since the amorphous silicon (a-Si) thin-film transistors (TFTs) typically used in LCDs suffer from limited current-driving capability and high photosensitivity, polycrystalline silicon (poly-Si) TFTs based on metal-induced unilateral crystallization (MIUC) of a-Si are investigated for AMOLED displays. Particular attention is paid to (1) optimizing TFT structural design and (2) resolving issues related to the integration of MIUC TFT and OLED.
When Color Constancy Goes Wrong: Correcting Improperly White-Balanced Images (2019)

This paper focuses on correcting a camera image that has been improperly white-balanced. This situation occurs when a camera's auto white balance fails or when the wrong manual white-balance setting is used. Even after decades of computational color constancy research, there are no effective solutions to this problem. The challenge lies not in identifying what the correct white balance should have been, but in the fact that the in-camera white-balance procedure is followed by several camera-specific nonlinear color manipulations that make it challenging to correct the image's colors in post-processing. This paper introduces the first method to explicitly address this problem. Our method is enabled by a dataset of over 65,000 pairs of incorrectly white-balanced images and their corresponding correctly white-balanced images. Using this dataset, we introduce a k-nearest neighbor strategy that is able to compute a nonlinear color mapping function to correct the image's colors. We show our method is highly effective and generalizes well to camera models not in the training set.
Tailoring Properties and Performance of (1-<i>x</i>)BiScO<sub>3</sub>–<i>x</i>PbTiO<sub>3</sub>Based Piezoceramics by Lanthanum Substitution (2004)

Recently, a new family of piezoelectric perovskite materials based on the solid solution (1-x)BiMeO3–xPbTiO3 (where Me is one or a combination of cations with sum valance +3) have been developed. Specifically, the (1-x)BiScO3–xPbTiO3 (BS–PT) system is noted for its high Curie temperature (TC=450°C) and large piezoelectric coefficient (d33>460 pC/N). Lanthanum additions, as a donor dopant in the piezoelectric system Pb(Zr,Ti)O3 and other lead based perovskite materials, are commonly utilized to both lower Curie temperature and increase piezoelectric coefficients. In the current work, the effect of lanthanum substitution in the BS–PT system is reported. The results of lanthanum additions in the BS–PT system show no large enhancement of the piezoelectric properties. However, fine grain sized materials (<1 µm), desirable for improved mechanical properties, with Curie temperature of 365°C and high piezoelectric coefficient (d33=465 pC/N) were successfully produced. The results of this study suggest that for low lanthanum additions, <5 mol%, internal compensation mechanisms in the BS–PT system dominate piezoelectric performance. Further grain size effects in lanthanum doped BS–PT compositions provide the first experimental evidence of significant extrinsic contributions to the piezoelectric properties in this system.
DEVELOPMENT AND CONCEPT EVALUATION OF AN ON-THE-GO SOIL STRENGTH MEASUREMENT SYSTEM (2005)

Root-restricting soil layers reduce crop yields in the southeastern U.S. almost every year due to temporary periodsof drought. Subsoiling beneath these layers is an annual practice for most farmers in this region as a method of removing thisbarrier and improving rooting conditions. Currently, farmers could use a soil cone penetrometer to determine the depth oftheir root-restrictive layer in a few locations within a field and then set their tillage depth to exceed the deepest root-restrictinglayer found. However, the potential for significant energy savings exists if some method of sensing the depth of this layer wasavailable on-the-go and adjustments could in turn be made to subsoiling depth. A prototype design of an on-the-go soilstrength sensor was developed as a possible alternative to the cone penetrometer and as a method of sensing the depth of theroot-restricting layer. Several versions of this sensor were evaluated in a sandy loam soil bin at the USDA-ARS National SoilDynamics Laboratory. The sensor was able to detect compacted soil profiles in a similar fashion as the cone penetrometer.The on-the-go soil strength measurements were more closely correlated to bulk density than the cone penetrometermeasurements and exhibited less variation than cone penetrometer measurements. Further research with this sensor couldlead to methods of quickly and easily mapping soil compaction within fields.
Reversible Interactions with para-Hydrogen Enhance NMR Sensitivity by Polarization Transfer (2009)

The sensitivity of both nuclear magnetic resonance spectroscopy and magnetic resonance imaging is very low because the detected signal strength depends on the small population difference between spin states even in high magnetic fields. Hyperpolarization methods can be used to increase this difference and thereby enhance signal strength. This has been achieved previously by incorporating the molecular spin singlet para-hydrogen into hydrogenation reaction products. We show here that a metal complex can facilitate the reversible interaction of para-hydrogen with a suitable organic substrate such that up to an 800-fold increase in proton, carbon, and nitrogen signal strengths are seen for the substrate without its hydrogenation. These polarized signals can be selectively detected when combined with methods that suppress background signals.
Field-Free Deterministic Writing of Spin-Orbit Torque Magnetic Tunneling Junction by Unipolar Current (2022)

We propose a field-free magnetic switching method in a perpendicular spin-orbit torque magnetic tunneling junction on a 200 mm wafer. The field-free switching can be achieved by unipolar current pulses via engineering the interlayer exchange coupling in the thin ferromagnetic films. The proposed device can reach a high writing speed of up to 1 ns and work properly at temperature of 100°C. This novel unipolar switching scheme offers an alternative writing approach for spin-orbit torque magnetic random access memory.
Synthetic Wavelength-Based Phase Unwrapping for Nanoscale Cellular Profiling with Spectral Domain Phase Microscopy (2009)

Phase sensitive optical coherence tomography allows for nanometer scale resolution of cellular dynamics, but suffers from phase wrapping artifacts. We present a synthetic wavelength spectral windowing technique for phase ambiguity removal in phase based OCT.
Enhanced Contrast Dual Polymer Electrochromic Devices (2002)

The ability to match two complementary polymers constitutes an important step forward in the design of electrochromic devices (ECDs). Here we show that the necessary control over the color, brightness, and environmental stability of an electrochromic window can be achieved through the careful design of anodically coloring polymers. For this purpose, we have constructed ECDs based on dimethyl substituted poly(3,4-propylenedioxythiophene) (PProDOT-Me2) as a cathodically coloring layer, along with poly[3,6-bis(2-ethylenedioxythienyl)-N-methyl-carbazole] (PBEDOT-NMeCz) and N-propane sulfonated poly(3,4-propylenedioxypyrrole) (PProDOP−NPrS) as anodically coloring polymers. Comparison of the results shows that using PProDOP−NPrS as the high band gap polymer has several advantages over the carbazole counterpart. The main benefit is the opening of the transmissivity window throughout the entire visible spectrum by moving the π−π* transition of the neutral anodically coloring material into the ultraviolet region. Another advantage of the PProDOP−NPrS based device is the noticeable increase in the optical contrast as evidenced by an increase in the transmittance change of the device (Δ%T) from 56% to 68%, as measured at 580 nm. These devices exhibit a 60% change in luminance along with half-second switching times for full color change. Moreover, they were found to retain up to 86% of their optical response after 20 000 double potential steps, opening up new directions in optical technology.
Construction of an Immunotoxin, D2C7-(scdsFv)-PE38KDEL, Targeting EGFRwt and EGFRvIII for Brain Tumor Therapy (2013)

In preclinical studies, the D2C7-(scdsFv)-PE38KDEL immunotoxin exhibited significant potential for treating brain tumors expressing EGFRwt, EGFRvIII, or both.
Synthesis and in vivo studies of a selective ligand for the dopamine transporter: 3β-(4-[125I]iodophenyl) tropan-2β-carboxylic acid isopropyl ester ([125I]RTM-21) (1996)

A selective ligand for the dopamine transporter 3 beta-(4-iodophenyl)tropan-2 beta-carboxylic acid isopropyl ester (RTI-121) has been labeled with iodine-125 by electrophilic radioiododestannylation. The [125I]RTI-121 was obtained in good yield (86 +/- 7%, n = 3) with high radiochemical purity (> 99%) and specific radioactivity (1210-1950 mCi/mumol). After i.v. administration of [125I]RTI-121 to mice, the rank order of regional brain tissue radioactivity (striatum > olfactory tubercles > > cortex, hippocampus, thalamus, hypothalamus, cerebellum) was consistent with dopamine transporter labeling. Specific in vivo binding in striatum and olfactory tubercles was saturable, and was blocked by the dopamine transporter ligands GBR 12,909 and (+/-)-nomifensine. By contrast, binding was not reduced by paroxetine, a serotonin transporter inhibitor, or desipramine, a norepinephrine transporter inhibitor. A variety of additional drugs having high affinities for recognition sites other than the neuronal dopamine transporter also had no effect. The [125I]RTI-121 binding in striatum and olfactory tubercles was inhibited by d-amphetamine in dose-dependent fashion. Nonmetabolized radioligand represents 85% of the signal observed in extracts of whole mouse brain. Thus, [125I]RTI-121 is readily prepared, and is a useful tracer for dopamine transporter studies in vivo.