gebhart/patrepeval huggingface dataset:
Structural Requirements for the Antimicrobial Activity of Carvacrol (2006)

Carvacrol is a component of several essential oils and has been shown to exert antimicrobial activity. The structural requirements for the activity of carvacrol were determined by comparison to structurally related (nonessential oil) compounds. Removal of the aliphatic ring substituents of carvacrol slightly decreased the antimicrobial activity. The effect of the hydroxyl group of carvacrol on activity could not be determined by simply comparing it to p-cymene, because this compound is immiscible with water; therefore, 2-amino-p-cymene, the amino analogue of carvacrol, which has a similar hydrophobicity and structural characteristics, was used. 2-Amino-p-cymene had similar membrane disruption and bacterial killing characteristics as carvacrol showing that, contrary to previous reports, the hydroxyl group of carvacrol itself is not essential for the antimicrobial activity. However, the observed 3-fold lower activity for 2-amino-p-cymene as compared to carvacrol indicates special features in the antimicrobial mode of action of carvacrol due to the hydroxyl group.
Production of gastrodin through biotransformation of p-hydroxybenzyl alcohol using hairy root cultures of Datura tatula L. (2008)

Inoculation of leaf sections of Datura tatula L. plants with A4 strain of Agrobacterium rhizogenes, induced transformed roots. The rol C (root loci) gene of TL region of A. rhizogenes was detected by PCR analyses in hair roots. The conversion of exogenous p-hydroxybenzyl alcohol into p-hydroxymethyl-phenol--D-glucoside (gastrodin) was studied using hairy root cultures of D. tatula L. The chemical structure of the synthesized gastrodin was identified on the basis of spectral analysis and chemical evidence. The procedure of conversion of p-hydroxybenzyl alcohol into gastrodin by D. tatula L. hairy root cultures was established. The synthesized gastrodin was isolated from the ferment liquor and identified by spectral analysis. The biotransformation of exogenous p-hydroxybenzyl alcohol to gastrodin using hairy root cultures of D. tatula L. is a promising approach.
Adhesion Promoting Copolymer of Acetate-Protected Vinyl Catechol with Glycidyl Methacrylate: Unraveling Deprotection, Adsorption, and Adhesion Behaviors on Metal Substrates (2022)

Epoxy resins are one of the important and intensively used thermosetting adhesives in the automotive and electronic industries. Understanding and improving the interfacial interactions between epoxy adhesives and metal adherends are essential and urgent issues that need to be overcome to expand the scope of adhesive applications. In this study, a bioinspired acetate-protected vinyl catechol (Ac2VCa) monomer derived from natural caffeic acid was copolymerized with glycidyl methacrylate (GMA) to prepare a catechol-containing polymer─PGMA-co-P(Ac2VCa)─for the enhancement of interfacial adhesion. The deprotection of acetate protecting groups using a diamine was validated, allowing the achievement of the deprotection and adsorption of the PGMA-co-P(Ac2VCa) promoter in one processing procedure for its direct usage as the primer or additive. With the incorporation of catechol moieties, the strengthened interfacial interactions can effectively improve the lap shear strength of epoxy-adhesive-bonded metallic joints.
The Solution Structure of a Copper(II) Compound of a New Cyclic Octapeptide by EPR Spectroscopy and Force Field Calculations (1998)

A new cyclic octapeptide, cyclo(Ile-Ser-(Gly)Thz-Ile-Thr-(Gly)Thz) (PatN), related to patellamide A, has been synthesized and reacted with copper(II) and base to form mono- and dinuclear complexes. The coordination environments around copper(II) have been characterized by EPR spectroscopy. The solution structure of the thermodynamically most stable product, a purple dicopper(II) compound, has been examined by simulating weakly dipole-dipole coupled EPR spectra based upon structural parameters obtained from force field (MM and MD) calculations. The MM-EPR method produces a saddle-shaped structure for [Cu(2)(PatN)(OH(2))(6)] that is similar to the known solution structure of patellamide A and the known solid-state structure of [Cu(2)(AscidH(2))CO(3)(OH(2))(2)]. Compared with the latter, [Cu(2)(PatN)] has no carbonate bridge and a significantly flatter topology. The MM-EPR approach to solution-structure determination for paramagnetic metallopeptides may find wide applications to other metallopeptides and metalloproteins.
Simulation of a flexible spacecraft motion to evaluate microaccelerations (2009)

A method for simulating a flexible spacecraft motion using Lagrange’s quasivelocity formulation is considered. An algorithm of quasivelocity formation by Walsh’s means is proposed. This method can be used to evaluate a quasistatic microacceleration field component in the spacecraft internal environment.
[FeFe]-Hydrogenase Synthetic Mimics Based on Peri-Substituted Dichalcogenides (2014)

Eight dithiolato-, diselenolato-, and mixed S,Se-Fe-2(CO)(6) complexes based on pen-substituted naphthalene and phenanthrene dichalcogenides are prepared by oxidative insertion of Fe-3(CO)(12) into the dichalcogen bonds of 2,7-dimethoxynaphtho[1,8cd][1,2]dithiole, three naphtho[1,8-cd][1,2]diselenoles, two naphtho[1,8-cd][1,2]thiaselenoles, phenanthro[1,10-cd][1,2]dithiole, and phenanthro[1,10-cd] [1,2]diselenole. Complexes are characterized by H-1, C-13 NMR, UV/vis, and IR spectroscopy and by X-ray analysis. The effect of replacing sulfur with selenium, incorporating electron-donating groups (2,7-di-ten-butyl, 2,7-climethoxy) on the naphthalene ring system, and changing the degree of conjugation in the aromatic backbone (naphthalene vs phenanthrene) on the reduction potential is evaluated by cyclic voltammetry. The electrocatalytic activity of these [FeFe]-hydrogenase synthetic mimics for proton reduction in the presence of increasing concentrations of p-TsOH is investigated. Diselenolate-based [FeFe]-complexes show enhanced catalytic activity for proton reduction compared with their sulfur congeners
Twinned Residual Auto-Encoder (TRAE)—A new DL architecture for denoising super-resolution and task-aware feature learning from COVID-19 CT images (2023)

The detection of the COronaVIrus Disease 2019 (COVID-19) from Computed Tomography (CT) scans has become a very important task in modern medical diagnosis. Unfortunately, typical resolutions of state-of-the-art CT scans are still not adequate for reliable and accurate automatic detection of COVID-19 disease. Motivated by this consideration, in this paper, we propose a novel architecture that jointly affords the Single-Image Super-Resolution (SISR) and the reliable classification problems from Low Resolution (LR) and noisy CT scans. Specifically, the proposed architecture is based on a couple of Twinned Residual Auto-Encoders (TRAE), which exploits the feature vectors and the SR images recovered by a Master AE for performing transfer learning and then improves the training of a "twinned" Follower AE. In addition, we also develop a Task-Aware (TA) version of the basic TRAE architecture, namely the TA-TRAE, which further utilizes the set of feature vectors generated by the Follower AE for the joint training of an additional auxiliary classifier, so to perform automated medical diagnosis on the basis of the available LR input images without human support. Experimental results and comparisons with a number of state-of-the-art CNN/GAN/CycleGAN benchmark SISR architectures, performed by considering <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mo>×</mml:mo> <mml:mn>2</mml:mn></mml:mrow> </mml:math> , <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mo>×</mml:mo> <mml:mn>4</mml:mn></mml:mrow> </mml:math> , and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mo>×</mml:mo> <mml:mn>8</mml:mn></mml:mrow> </mml:math> super-resolution (i.e., upscaling) factors, support the effectiveness of the proposed TRAE/TA-TRAE architectures. In particular, the detection accuracy attained by the proposed architectures outperforms the corresponding ones of the implemented CNN, GAN and CycleGAN baselines up to 9.0%, 6.5%, and 6.0% at upscaling factors as high as <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mo>×</mml:mo> <mml:mn>8</mml:mn></mml:mrow> </mml:math> .
Extended Radical Lymphadenectomy in Patients With Urothelial Bladder Cancer:: Results of a Prospective Multicenter Study (2004)

We strongly recommend extended radical lymphadenectomy to all patients undergoing radical cystectomy for bladder cancer to remove all metastatic tumor deposits completely. The operation can be conducted in routine clinical practice and our data may serve as a guideline for future standardization and quality control of the procedure.
Ischemic Lesion Location Based on the ASPECT Score for Risk Assessment of Neurogenic Dysphagia (2020)

Dysphagia is common in patients with middle cerebral artery (MCA) infarctions and associated with malnutrition, pneumonia, and mortality. Besides bedside screening tools, brain imaging findings may help to timely identify patients with swallowing disorders. We investigated whether the Alberta stroke program early CT score (ASPECTS) allows for the correlation of distinct ischemic lesion patterns with dysphagia. We prospectively examined 113 consecutive patients with acute MCA infarctions. Fiberoptic endoscopic evaluation of swallowing (FEES) was performed within 24 h after admission for validation of dysphagia. Brain imaging (CT or MRI) was rated for ischemic changes according to the ASPECT score. 62 patients (54.9%) had FEES-proven dysphagia. In left hemispheric strokes, the strongest associations between the ASPECTS sectors and dysphagia were found for the lentiform nucleus (odds ratio 0.113 [CI 0.028-0.433; p = 0.001), the insula (0.275 [0.102-0.742]; p = 0.011), and the frontal operculum (0.280 [CI 0.094-0.834]; p = 0.022). A combination of two or even all three of these sectors together increased relative dysphagia frequency up to 100%. For right hemispheric strokes, only non-significant associations were found which were strongest for the insula region. The distribution of early ischemic changes in the MCA territory according to ASPECTS may be used as risk indicator of neurogenic dysphagia in MCA infarction, particularly when the left hemisphere is affected. However, due to the exploratory nature of this research, external validation studies of these findings are warranted in future.
Chiral Fluoro Ketones for Catalytic Asymmetric Epoxidation of Alkenes with Oxone. (2002)

Abstract For Abstract see ChemInform Abstract in Full Text.
Fourier rebinning applied to multi-planar circular-orbit cone-beam SPECT (2002)

We study the application of Fourier rebinning methods to dual-planar cone-beam SPECT. Dual-planar cone-beam SPECT involves the use of a matched pair of cone-beam collimators on a dual-camera SPECT system. Each collimator has its focus in a different axial plane. While dual-planar data is best reconstructed with fully 3D iterative methods, these methods are slow and have prompted a search for faster reconstruction techniques. Fourier rebinning was developed to estimate equivalent parallel projections from 3D PET data, but it simply expresses a relationship between oblique projections taken in planes not perpendicular to the axis of rotation and direct projections taken in those that are. We find that it is possible to put dual-planar cone-beam data in this context as well. The rebinned data can then be reconstructed using either filtered backprojection (FBP) or parallel iterative algorithms such as OSEM. We compare the Feldkamp algorithm and fully 3D OSEM reconstruction with Fourier-rebinned reconstructions on realistically-simulated Tl-201 HMPAO brain SPECT data. We find that the Fourier-rebinned reconstructions exhibit much less image noise and lower variance in region-of-interest estimates than Feldkamp. Also, Fourier-rebinning followed by OSEM with nonuniform attenuation correction exhibits less bias in ROI estimates than Feldkamp with Chang attenuation correction. The Fourier-rebinned ROI estimates exhibit only slightly higher bias and variance than fully 3D OSEM, and require considerably less processing time. We conclude that Fourier rebinning is a practical and potentially useful approach to reconstructing data from dual-planar circular-orbit cone-beam systems.
Novel mechanism for ultrafast optical nonlinearity in semiconductor laser amplifier using assist light (2002)

We have proposed and first demonstrated a novel mechanism for ultrafast optical nonlinearity in semiconductor laser amplifiers as saturable absorbers. We have obtained the reduced carrier lifetime of less than 70 ps by stimulated recombination due to a novel assist light. The further reduction of lifetime can be expected for shorter devices. This novel mechanism is promising for ultra-high repetition-rate gate function and noise reduction function, because there is little heat generation process through this fast stimulated emission.
Exploring a Gasoline Compression Ignition (GCI) Engine Concept (2013)

&lt;div class="section abstract"&gt;&lt;div class="htmlview paragraph"&gt;Future vehicles will increasingly be required to improve their efficiency, reduce both regulated and CO₂ emissions, and maintain acceptable levels of driving, safety, and noise performance. To achieve this high level of performance, they will be configured with more advanced hardware, sensors, and control technologies that will also enable their operation on a broader range of fuel properties. These capabilities offer the potential to design future vehicles to operate on the most widely available and GHG-reducing fuels.&lt;/div&gt;&lt;div class="htmlview paragraph"&gt;In previous studies, fuel flexibility has been demonstrated on a compression ignition bench engine and vehicle equipped with an advanced engine management system, closed-loop combustion control, and air-path control strategies. An unresolved question is whether engines of this sort can operate routinely on market gasoline while achieving diesel-like efficiency and acceptable emissions and noise levels.&lt;/div&gt;&lt;div class="htmlview paragraph"&gt;This paper describes initial engineering and experimental steps to assess this potential. Using an advanced diesel bench engine having a higher compression ratio, optimized valve timing, and flexible fuel injection, the engine could be operated on a European market gasoline over full to medium part loads. The combustion was found to be highly sensitive to EGR rates, however, and the simultaneous optimization of all regulated emissions and combustion noise was a considerable challenge. An advanced glow plug was tested to improve low load performance but did not extend the engine operating range as much as expected.&lt;/div&gt;&lt;/div&gt;
Spatial Distribution of Flavonoid Conjugates in Relation to Glucosyltransferase and Sulfotransferase Activities in Flaveria bidentis (1991)

The spatial distribution of sulfated and glucosylated flavonols as well as of the enzymes involved in the later steps of their biosynthesis, sulfotransferase and glucosyltransferase, were investigated in the shoots of Flaveria bidentis. The highest amounts of both types of flavonoid conjugates (as micromole per gram fresh weight) and the highest activities of their enzymes (as picokat per milligram) were detected in the terminal bud and the first pair of leaves. Sulfotransferase activity was also highest in the upper stem segments and in the basal section of the leaves. Western blot analysis of protein extracts showed that variations in sulfotransferase activity in different tissues correlate well with the amounts of immunodetected enzyme protein. These results were discussed in relation to the possible role of conjugated flavonoids in plant growth.
Reconstruction of magnetic fields by reflection electron beam tomography (1996)

A new method for measuring the three-dimensional magnetic stray fields extending beyond a magnetic head is presented. The electron beams are injected to the head surface, and the positions of the reflected electron beams are measured at the detecting plane placed above, and in parallel with, the head surface. The three-dimensional magnetic fields are reconstructed using an algebraic reconstruction technique (ART) algorithm from the deflection vectors of the reflection electron beams which are deflected by the magnetic fields. Our measurement system was applied to the measurement of the field distribution of an erasing head for a video cassette recorder. From these results, the applicability of our method for measuring magnetic stray field distribution near the head surface is clarified.
Functional Interaction between the DNA Binding Subunit Trimerization Domain of NF-Y and the High Mobility Group Protein HMG-I(Y) (1997)

The mammalian transcription factor, NF-Y(CBF), contains three known subunit components, NF-YA (CBF-B), NF-YB(CBF-A), and NF-YC(CBF-C), which are all required to reconstitute specific CCAAT box DNA binding activity. In this study, the high mobility group chromosomal protein, HMG-I(Y), has been shown to activate NF-Y in transient transfections in vivo using the natural murine alpha2(I) collagen promoter and a multimerized version of the proximal NF-Y(CBF) CCAAT box element. In vitro analysis of the alpha2(I) collagen promoter region inclusive of the NF-Y(CBF) binding site (-106 to -65 base pairs) failed to identify any high affinity HMG-I(Y) DNA-binding sites. However, the heterotrimeric NF-Y complex, as well as the NF-YA subunit alone, was shown to stably interact in vitro with both HMG-I(Y) and phosphorylated HMG-I, as modified by casein kinase II, using far Western and protein-protein interaction solution assays in the absence of CCAAT box DNA. Furthermore, the interaction between HMG-I(Y) and NF-Y was mapped to the highly conserved DNA binding-subunit interaction domain (DBD) of the NF-YA subunit and to a single AT-hook motif in HMG-I(Y). Recombinant HMG-I was also found to stabilize the CCAAT box DNA binding activity of recombinant NF-Y, as well as the native NF-Y complex, in vitro. Together, these results suggest a functional HMG-I(Y) protein binding site has been identified in the NF-Y complex and mapped to the conserved DBD and AT-hook regions of NF-YA and HMG-I(Y), respectively. This protein-protein interaction site may function to modulate NF-Y activity through stabilization of NF-Y binding to its CCAAT box DNA-binding site.
Influence of the Sacrificial Polystyrene Removal Pathway on the TiO2Nanocapsule Structure (2017)

This study demonstrates the significant influence of the polystyrene removal pathway on the TiO2 nanocapsules obtained from PS@TiO2 core-shell particles. In a first step, the polystyrene spheres were coated with titanium oxide via hydrolysis and condensation of the titanium precursor to form PS@TiO2 core-shell particles. Then, the creation of the empty cavity to form TiO2 nanocapsules was achieved by removing the polystyrene template by i) thermal decomposition of the polystyrene or ii) dissolution of the polystyrene using Soxhlet extractor followed by a thermal procedure. These pathways to remove the polystyrene were investigated by thermogravimetric studies, IR spectroscopy, transmission and scanning electron microscopy and powder X-ray diffraction. The final TiO2 nanocapsule structure strongly depends on the sacrificial polystyrene removal pathway. The preservation of the TiO2 nanocapsules was obtained essentially when the polystyrene was dissolved before the crystallization of the TiO2.
Parameterized and Scripted Gaits for Modular Snake Robots (2009)

Snake robots, sometimes called hyper-redundant mechanisms, can use their many degrees of freedom to achieve a variety of locomotive capabilities. These capabilities are ideally suited for disaster response because the snake robot can thread through tightly packed volumes, accessing locations that people and conventional machinery otherwise cannot. Snake robots also have the advantage of possessing a variety of locomotion capabilities that conventional robots do not. Just like their biological counterparts, snake robots achieve these locomotion capabilities using cyclic motions called gaits. These cyclic motions directly control the snake robot's internal degrees of freedom which, in turn, causes a net motion, say forward, lateral and rotational, for the snake robot. The gaits described in this paper fall into two categories: parameterized and scripted. The parameterized gaits, as their name suggests, can be described by a relative simple parameterized function, whereas the scripted cannot. This paper describes the functions we prescribed for gait generation and our experiences in making these robots operate in real experiments.
Abstract 16016: Role For Macitentan in Angiogenesis of Right Ventricle, Peripheral Muscle and Lungs in Pulmonary Arterial Hypertension (2015)

Background: Pulmonary arterial hypertension (PAH) is a vascular disease characterized by remodeling of distal pulmonary arteries (PA) leading to increased mean PA pressure, subsequent right ventricular (RV) failure and ultimately death of patients. Impaired angiogenesis is now recognized as a major factor in PAH etiology. It contributes not only to the decrease in lung perfusion but also to a rarefaction of the capillary network within the skeletal muscle and RV leading to exercise intolerance and RV failure. Several studies have suggested that endothelin-1 (ET-1) contributes to decrease angiogenesis in PAH. In light of these observations, we hypothesized that macitentan, an ET-1 receptors blocker, improves PAH by promoting angiogenesis in lungs, RV and skeletal muscles. Methods/Results: In the Sugen/hypoxia rat model of PAH, we demonstrated by right catheterization in closed chest rats that compared to vehicle treated animals, daily treatment during two weeks with macitentan (30 mg/kg) decreases significantly mean PA pressure (n=8-20; p&lt;0.01) and total pulmonary resistance (n=8-20; p&lt;0.05) and improves cardiac output, stroke volume (n=7-17; p&lt;0.05) and RV hypertrophy measured by echo (n=6-10; p&lt;0.05). These effects were associated with an increase of 2.9 fold in lung blood perfusion (n=6), 4.1 fold in quadriceps perfusion (n=5-7) and 1.5 fold in right ventricle perfusion (n=5-6) measured in vivo by micro CT angiogram (p&lt;0.05). Both in vivo lectin perfusion (n=4-10; p&lt;0.05) and immunologic CD31 staining (n=4-5; p&lt;0.05) confirmed these findings. In the lungs, the hemodynamic and perfusion improvements were associated with decreased vascular remodeling (H&amp;E) (n=6-17; p&lt;0.01). In vitro, using primary cultured human endothelial cells isolated from distal PA (PAEC) and RV (RVEC), we showed that macitentan decreases PAH-PAEC proliferation (Ki67 assay) and resistance to apoptosis (TUNEL assay), while increasing angiogenesis capacity of healthy PAEC and RVEC (matrigel assay). Conclusion: Our data provide structural and functional evidence that ET-1 receptor inhibition with macitentan may improve PAH by promoting angiogenesis.