gebhart/patrepeval huggingface dataset:
Synthesis and Fluorescence Properties of Manisyl-Substituted Terpyridine, Bipyridine, and Phenanthroline (2001)

As a hybrid of two aryl motifs, that is p-anisyl and mesityl, the 4-methoxy-2,6-dimethylphenyl or “manisyl” substituent offers possibilities for both further structural elaboration as well as enhancing the solubility of the heterocyclic ligands mentioned in the title. A highlight of this work lies in the ability of the manisyl group to endow specific members of this family such as 1 with high fluorescence quantum efficiency.
A 2.1mW/3.2mW delay-compensated GSM/WCDMA &#x03A3;&#x0394; analog-digital converter (2008)

A technique to compensate for the harmful excess loop delay in a continuous time SigmaDelta analog-digital converter is presented. With no extra power consumption or area penalty the technique is suitable for variety of applications employing continuous time SigmaDelta analog-digital converters. This work presents a dual mode SigmaDelta ADC for GSM/WCDMA applications with DR of 86 dB/63 dB for 100 KHz/1.92 MHz in a 65 nm CMOS technology with power consumption of 2.1 mW/3.2 mW.
Thermodynamics of Fragment Binding (2012)

The ligand binding pockets of proteins have preponderance of hydrophobic amino acids and are typically within the apolar interior of the protein; nevertheless, they are able to bind low complexity, polar, water-soluble fragments. In order to understand this phenomenon, we analyzed high resolution X-ray data of protein-ligand complexes from the Protein Data Bank and found that fragments bind to proteins with two near optimal geometry H-bonds on average. The linear extent of the fragment binding site was found not to be larger than 10 Å, and the H-bonding region was found to be restricted to about 5 Å on average. The number of conserved H-bonds in proteins cocrystallized with multiple different fragments is also near to 2. These fragment binding sites that are able to form limited number of strong H-bonds in a hydrophobic environment are identified as hot spots. An estimate of the free-energy gain of H-bond formation versus apolar desolvation supports that fragment sized compounds need H-bonds to achieve detectable binding. This suggests that fragment binding is mostly enthalpic that is in line with their observed binding thermodynamics documented in Isothermal Titration Calorimetry (ITC) data sets and gives a thermodynamic rationale for fragment based approaches. The binding of larger compounds tends to more rely on apolar desolvation with a corresponding increase of the entropy content of their binding free-energy. These findings explain the reported size-dependence of maximal available affinity and ligand efficiency both behaving differently in the small molecule region featured by strong H-bond formation and in the larger molecule region featured by apolar desolvation.
ChemInform Abstract: A Convenient Enantioselective Synthesis of (R)‐(‐)‐Phoracantholide I ( V), a Component of the Defensive Secretion of the Eucalypt Longicorn Phoracantha synonyma. (1995)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Computational study of fluorescence scattering by silver nanoparticles (2007)

We study the nature of fluorescence scattering by a radiating fluorophore placed near a metal nanoparticle with the finite-difference time-domain method. Angle-resolved light-scattering distributions are contrasted with those that result when ordinary plane waves are scattered by the nanoparticle. For certain sized nanoparticles and fluorophore dipoles oriented parallel to the metal surface, we find that the highest scattered fluorescence emission is directed back toward the fluorophore, which is very different from plane-wave scattering. The largest enhancements of far-field radiation are found when the dipole is oriented normal to the surface. We also examined the effect of the fluorophore on the near field around the particle. The fields can be enhanced or quenched compared to the isolated fluorophore and exhibit strong dependence on fluorophore orientation, as well as interesting spatial variations around the nanoparticle.
Identification of radiation responsive genes and transcriptome profiling via complete RNA sequencing in a stable radioresistant U87 glioblastoma model (2018)

The absence of major progress in the treatment of glioblastoma (GBM) is partly attributable to our poor understanding of both GBM tumor biology and the acquirement of treatment resistance in recurrent GBMs. Recurrent GBMs are characterized by their resistance to radiation. In this study, we used an established stable U87 radioresistant GBM model and total RNA sequencing to shed light on global mRNA expression changes following irradiation. We identified many genes, the expressions of which were altered in our radioresistant GBM model, that have never before been reported to be associated with the development of radioresistant GBM and should be concertedly further investigated to understand their roles in radioresistance. These genes were enriched in various biological processes such as inflammatory response, cell migration, positive regulation of epithelial to mesenchymal transition, angiogenesis, apoptosis, positive regulation of T-cell migration, positive regulation of macrophage chemotaxis, T-cell antigen processing and presentation, and microglial cell activation involved in immune response genes. These findings furnish crucial information for elucidating the molecular mechanisms associated with radioresistance in GBM. Therapeutically, with the global alterations of multiple biological pathways observed in irradiated GBM cells, an effective GBM therapy may require a cocktail carrying multiple agents targeting multiple implicated pathways in order to have a chance at making a substantial impact on improving the overall GBM survival.
Noise Cancellation in Monte Carlo Simulation (2016)

For processing signals and in control application filters are essential, linear optimums discrete time filters such as wiener filter and Kalman filter are on orthogonal principle. For non stationary cases of having a presence of noise, adaptive wiener filter has to be applied using Monte Carlo Simulation 250 samples were used for 50 runs. Coefficients of linear filter are used to estimate the additive white noise. Error is calculated and RMS value of each error is added to the sample for desired signal. FIR wiener filters of order 6, 12, 24 were chosen for adaptive operators .Simulation results were quite encourage in the sense that noise was suppressed to maximum extends. Adaptive methods noisy higher number of samples and more than 100 runs are linear to yield better results. Keywords: Noise Cancellation, Monte Carlo Simulation, Wiener Filter, Optimal Filter, Wiener-Hopf Equations, Wide-Sense Stationary Random Processes, Discrete Wiener Filter, Discrete Kalman Filter
Controlling coherence time of silicon vacancy centers in diamond using phononic crystals (2021)

We design and fabricate phononic crystals in single-crystal diamond hosting silicon vacancy centers. The complete bandgap in the phononic crystals aims to improve coherence of optical transitions in silicon vacancy centers by suppressing phonon-driven processes.
Phase-Separated Morphologies in Poly(Psuedo Amino Acid)-PEG Blends and Copolymers for Tissue-Scaffolding Applications (2000)

Abstract Central to the successful advance of tissue engineering (e.g. 1, 2) is the development of highly engineered materials which trigger particular body responses to regenerate specific tissue or sets of tissue. Such properties as hydrophilicity, hydrolytic susceptibility, and protein-recognition behavior are critical to the success of tissue scaffolds. Poly(ethylene glycol) [PEG] is often introduced into scaffold polymers to tune hydrolytically controlled properties. Relatively little is known about the local morphology and nature of phase separation in these systems, however. This research studies the development of phase-separated morphology in blends and randommultiblock copolymers of a tyrosine-based poly(psuedo amino acid) [poly(DTE carbonate)] and PEG 1000 (fig. 1). This system exhibits attractive biocompatability, strength and modulus, and resorption behavior which can be controlled by main-chain and pendant-chain chemistries (3, 4). The nature of phase separation was studied by bright-field TEM (Philips CM30 ST; CM20 FEG TEM/STEM) using solvent-cast thin films.
The surprising structural and mechanistic dichotomy of membrane-associated phosphoglycosyl transferases (2021)

Phosphoglycosyl transferases (PGTs) play a pivotal role at the inception of complex glycoconjugate biosynthesis pathways across all domains of life. PGTs promote the first membrane-committed step in the en bloc biosynthetic strategy by catalyzing the transfer of a phospho-sugar from a nucleoside diphospho-sugar to a membrane-resident polyprenol phosphate. Studies on the PGTs have been hampered because they are integral membrane proteins, and often prove to be recalcitrant to expression, purification and analysis. However, in recent years exciting new information has been derived on the structures and the mechanisms of PGTs, revealing the existence of two unique superfamilies of PGT enzymes that enact catalysis at the membrane interface. Genome neighborhood analysis shows that these superfamilies, the polytopic PGT (polyPGT) and monotopic PGT (monoPGT), may initiate different pathways within the same organism. Moreover, the same fundamental two-substrate reaction is enacted through two different chemical mechanisms with distinct modes of catalysis. This review highlights the structural and mechanistic divergence between the PGT enzyme superfamilies and how this is reflected in differences in regulation in their varied glycoconjugate biosynthesis pathways.
Fluid Flow Investigation of Die Cast Tensile Test Bars (2006)

The fluid flow of an A356 semi-solid aluminum alloy filling a die consisting of four tensile test bars was investigated. Numerical simulations were carried out by implementing a mathematical model in a finite element software. Additional simulations were also obtained with a physical model in which tomato paste was used as the analogue fluid for the semi-solid aluminum. The modeling results were complemented by a series of experiments where tensile test bars were produced from semi-solid aluminum with a high pressure die casting press. The correspondence observed with the two modeling approaches and the casting experiments is discussed along with the effect the die geometry had on the flow patterns.
Molecular Abnormalities in Tumors Associated with Multiple Endocrine Neoplasia Type 2 (1994)

The tumors of the MEN 2 syndromes, medullary thyroid carcinoma and pheochromocytoma, undergo defined stages of tumor progression. During these stages, several molecular abnormalities develop. These include abnormalities in growth, differentiation, and biochemistry. Recently, the germ-line abnormality in MEN 2A and familial medullary thyroid carcinoma has been identified in the ret gene. This article discusses possible molecular mechanisms for these abnormalities and attempts to place them in the context of the biology of the normal progenitor cells.
Automated detection of mucus plugs within bronchial tree in MSCT images (2007)

Pulmonary diseases characterized by chronic airway inflammation, such as Chronic Obstructive Pulmonary (COPD), result in abnormal bronchial wall thickening, lumen dilatation and mucus plugs. Multi-Slice Computed Tomography (MSCT) allows for assessment of these abnormalities, even in airways that are obliquely oriented to the scan plane. Chronic airway inflammation typically results in limitations of airflow, allowing for the accumulation of mucus, especially in the distal airways. In addition to obstructing airways, retained secretions make the airways prone to infection. Patients with chronic airway disease are clinically followed over time to assess disease progression and response to treatment. In this regard, the ability to obtain an automatic standardized method to rapidly and objectively assess the entire airway tree morphologically, including the extent of mucus plugging, would be of particular clinical value. We have developed a method to automatically detect the presence and location of mucus plugs within the peripheral airways. We first start with segmentation of the bronchial tree using a previously developed method. The skeleton-based tree structure is then computed and each terminal branch is individually extended using an adaptive threshold algorithm. We compute a local 2-dimensional model, based on airway luminal diameter and wall thickness. We then select a few points along the principal axis beyond the terminal branches, to extract 2D cross sections for correlation with a model of mucus plugging. Airway shape is validated with a correlation value, and the lumen distribution is analyzed and compared to the model. A high correlation indicates the presence of a mucus plug. We tested our method on 5 datasets containing a total of 40 foci of mucoid impaction. Preliminary results show sensitivity of 77.5% with a specificity of 98.2% and positive predictive value of 66%.
Parameter identification for cement infiltration of osteoporotic bone (2020)

Cement augmentation is an emerging surgery in which bone cement is used to infiltrate and reinforce osteoporotic vertebrae. The infiltration is performed rather empirically. We present a theoretical and experimental model to investigate the bone permeability as a function of the bone porosity and cement viscosity. A theoretical model for the porosity-dependant permeability was fit to published data. A power law accurately described the non-newtonian cement viscosity. The material parameters are presented in this paper. In order to determine the permeability, bone cores were harvested from osteoporotic vertebrae then infiltrated with acrylic cement at constant flow rate, and the pressure drop across the cores was measured. The theoretical model was then fit to the testing data. The permeability, κ, was approximately 49.7 ± 6.4 mm4/N sec. In view of the permeability values and the injection pressure generated in this procedure, we conclude that the injection pressure is too large, by at least a factor of ten. This study is the first to analyze cement flow through osteoporotic bone. The theoretical and experimental models provided in this paper are generic. Thus, they can be used to systematically study and optimize the infiltration for clinical practice.
A robot finger using electro-conjugate fluid (2010)

Electro-conjugate fluid (ECF) is a kind of functional fluid, which produces a jet flow (ECF jet) when subjected to high DC voltage. It is known that a strong ECF jet is generated under nonuniform electric field, for example, the field with a pair of needle and ring electrode (a needle-ring electrode pair). This study introduces the ECF jet to develop a novel robot finger. First, we propose a concept of novel robot finger driven by ECF jet. The robot finger mainly consists of a bending actuator, an ECF tank, and ECF jet generators. Next, we characterize the bending actuator and the ECF jet generator. Finally, we investigate the characteristics of the robot finger. The length, the diameter, and the mass of the robot finger are 34.2mm, 12mm, and 3.8g, respectively. The robot finger can generate force of 0.28N and bend approximately 70deg.
Chemotherapy of Second Stage Human African Trypanosomiasis: Comparison between the Parenteral Diamidine DB829 and Its Oral Prodrug DB868 in Vervet Monkeys (2020)

Human African trypanosomiasis (HAT, sleeping sickness) ranks among the most neglected tropical diseases based on limited availability of drugs that are safe and efficacious, particularly against the second stage (central nervous system [CNS]) of infection. In response to this largely unmet need for new treatments, the Consortium for Parasitic Drug Development developed novel parenteral diamidines and corresponding oral prodrugs that have shown cure of a murine model of second stage HAT. As a rationale for selection of one of these compounds for further development, the pharmacokinetics and efficacy of intramuscular (IM) active diamidine 2,5-bis(5-amidino-2-pyridyl)furan (DB829; CPD-0802) and oral prodrug2,5-bis[5-(N-methoxyamidino)-2-pyridyl]furan (DB868) were compared in the vervet monkey model of second stage HAT. Treatment was initiated 28 days post-infection of monkeys with T. b. rhodesiense KETRI 2537. Results showed that IM DB829 at 5 mg/kg/day for 5 consecutive days, 5 mg/kg/day every other day for 5 doses, or 2.5 mg/kg/day for 5 consecutive days cured all monkeys (5/5). Oral DB868 was less successful, with no cures (0/2) at 3 mg/kg/day for 10 days and cure rates of 1/4 at 10 mg/kg/day for 10 days and 20 mg/kg/day for 10 days; in total, only 2/10 monkeys were cured with DB868 dose regimens. The geometric mean plasma Cmax of IM DB829 at 5 mg/kg following the last of 5 doses was 25-fold greater than that after 10 daily oral doses of DB868 at 20 mg/kg. These data suggest that the active diamidine DB829, administered IM, should be considered for further development as a potential new treatment for second stage HAT.
HBsAg positive chronic hepatitis in children : Seroconversion from HBeAg to anti-HBe and HBcAg in liver. (1986)

B型慢性肝炎の経過中に,血中HBe抗原からHBe抗体にseroconversionした24例のうち血中HBe抗原陽性時に肝生検を施行しえた11症例について臨床病理学的検討を加えた.なお,この11例中5例は血中HBe抗体陽性時にも肝生検を施行しえた.血中HBe抗原陽性時肝組織診断は,犬山の分類で慢性活動性肝炎8例,慢性非活動性肝炎3例であった.肝組織内HBc抗原は,陽性5例,陰性6例であった.血中HBe抗体陽性時は,慢性活動性肝炎1例,慢性持続性肝炎1例,他は慢性非活動性肝炎であり,肝組織内HBc抗原は施行した2例とも陰性であった.肝組織内HBc抗原が陽性であった5例はseroconversionするまでに平均22ヵ月かかり6ヵ月未満のものはなかった.陰性の6例は平均10.6ヵ月で2例は6ヵ月以内にseroconversionを起こした.seroconversion前は,肝組織内HBc抗原と血中HBe抗原抗体系,HBc抗体との間には明らかな関連はみられなかった.
Transparently reporting adverse effects of traditional Chinese medicine interventions in randomized controlled trials (2008)

Although all Chinese materia medica (CMM) come from nature, CMM interventions have both therapeutic effects and adverse effects (AEs). Normally, AEs in randomized controlled trial (RCT) with traditional Chinese medicine (TCM) could be divided into five types as follows: 1) AEs under proper TCM principles and guidelines, such as the toxicity (acute and chronic) and allergy; 2) AEs due to improper usage without following TCM principles, involving without following the TCM therapeutic principles, over-dosage, improper processing and preparation methods, improper formula strategy, etc; 3) AEs due to contamination in CMM, such as heavy metal and pesticides contaminations in Chinese herbal medicine interventions, and intentional or unintentional contamination with drug(s); 4) AEs due to replacement of CMMs; 5) AEs due to drug-herb interaction. AEs of TCM should be treated properly. Overestimation or underestimation about AEs of TCM intervention will bring a wrong message to patients and health care providers. In order to give readers a more comprehensive understanding about the safety issue of study intervention, Consolidated Standards of Reporting Trials (CONSORT) for TCM should involve the background information on side effects of each CMM constituents and/or the study intervention, specific outcome assessment on AEs, the details of reported AEs and the interpretation of the AEs occurrence in a structural RCT report.
Spin-Polarized Scanning Electron Microscopy (1985)

The magnetic domains of cobalt (12̄10), iron-silicon (001) and polycrystal iron surfaces have been observed using a spin-polarized scanning electron microscope equipped with a field-emission gun. The new capabilities expected from this microscope have been studied using the clear images obtained.
Highly porous conjugated polymers for selective oxidation of organic sulfides under visible light (2014)

High surface area porous conjugated polymers were synthesized via the high internal phase emulsion polymerization technique and micropore engineering as efficient heterogeneous photocatalysts for highly selective oxidation of organic sulfides to sulfoxides under visible light.
Ultrafast IR Laser Writing of Strong Bragg Gratings Through the Coating of High Ge-Doped Optical Fibers (2008)

Strong fiber Bragg gratings were written through the standard polymer coatings of "off-the-shelf" high numerical aperture single-mode optical fibers after a few seconds exposure with femtosecond pulse durations of infrared radiation through a phase mask. While writing through the acrylate coating, we obtained index modulations of up to 1.4 x 10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">-3</sup> and 7 x 10 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">-4</sup> with and without H <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> -loading, respectively.
Chiral separation through (1994)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTChiral separation throughMilos Novotny, Helena Soini, and Morgan StefanssonCite this: Anal. Chem. 1994, 66, 11, 646A–655APublication Date (Print):June 1, 1994Publication History Published online22 September 2008Published inissue 1 June 1994https://doi.org/10.1021/ac00083a002RIGHTS & PERMISSIONSArticle Views481Altmetric-Citations75LEARN 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 InReddit PDF (7 MB) Get e-Alerts Get e-Alerts
Hybrid Particles (2017)

Typical methods for the functionalization of the surface of nanomaterials with biomolecules are discussed along with useful practical guidelines for functionalization strategies. Different covalent and noncovalent biomolecule-surface attachment strategies are covered with an overview of examples from the literature.
In vitro mineralisation of grafted ePTFE membranes carrying carboxylate groups (2017)

<i>In vitro</i> mineralisation in simulated body fluid (SBF) of synthetic polymers continues to be an important area of research as the outcomes cannot be predicted. This study evaluates a series of ePTFE membranes grafted with carboxylate-containing copolymers, specifically using acrylic acid and itaconic acid for grafting. The samples differ with regards to graft density, carboxylate density and polymer topology. The type and amount of mineral produced in 1.5 × SBF was dependent on the sample characteristics as evident from XPS, SEM/EDX, and FTIR spectroscopy. It was found that the graft density affects the mineral phases that form and that low graft density appear to cause co-precipitation of calcium carbonate and calcium phosphate. Linear and branched graft copolymer topology led to hydroxyapatite mineralisation whereas crosslinked graft copolymers resulted in formation of a mixture of calcium-phosphate phases. This study demonstrates that <i>in vitro</i> mineralisation outcomes for carboxylate-containing graft copolymers are complex. The findings of this study have implications for the design of bioactive coatings and are important for understanding the bone-biomaterial interface.