gebhart/patrepeval huggingface dataset:
An Efficient Nitration of Light Alkanes and the Alkyl Side-Chain of Aromatic Compounds with Nitrogen Dioxide and Nitric Acid Catalyzed by <i>N</i>-Hydroxyphthalimide (2002)

Nitration of light alkanes and the alkyl side-chain of aromatic compounds with NO(2) and HNO(3) was successfully achieved by the use of N-hydroxyphthalimide (NHPI) as a catalyst under relatively mild conditions. For example, the nitration of propane with NO(2) catalyzed by NHPI at 100 degrees C for 14 h gave 2-nitropropane in good yield without formation of 1-nitropropane and cleaved products such as nitroethane and nitromethane. Various aliphatic nitroalkanes, which are difficult to prepare by conventional methods, could be selectively obtained by means of the present methodology by using NHPI as the key catalyst. In addition, the side-chain nitration of alkylbenzenes such as toluene was selectively carried out to lead to alpha-nitrotoluene without the ring nitration. The present reaction provides an efficient selective method for the nitration of light alkanes and alkylbenzenes, which has been very difficult to carry out so far.
Use of multiplex PCR for simultaneous detection of four bacterial species in middle ear effusions (1997)

A multiplex PCR procedure was developed for the simultaneous detection of Alloiococcus otitidis, Haemophilus influenzae, Moraxella catarrhalis, and Streptococcus pneumoniae in middle ear effusions (MEEs) from patients with chronic otitis media with effusion. The bacterial 16S rRNA gene was chosen as the target, and the procedure used one common lower primer and four species-specific upper primers. The reaction was optimized by changing the primer concentrations to yield equal amounts of amplification products. The specificity of the reaction was verified with various bacterial species found in the nasopharynx. The performance of the procedure was examined with 25 MEE specimens, and the results were compared to those obtained by conventional culture methods. A detection level of 10 bacterial cells/reaction for each of the study organisms was achieved. By conventional culture methods, 8 (32%) of the specimens showed growth of one of the study organisms. In contrast, 21 (84%) of the specimens tested positive by the multiplex PCR. None of the culture-positive specimens were PCR negative, whereas three (12%) of the PCR-positive specimens tested positive for two of the four study organisms. Thus, the multiplex PCR method improves the detection rate significantly compared to that of the conventional culture method.
3D inversion of time‐lapse CSEM data for reservoir surveillance (2010)

Recent studies have inferred the feasibility of time‐lapse controlled‐source electromagnetic (CSEM) methods for the surveillance of offshore oil and gas fields. However, quantitative interpretations have not been shown to ascertain what information about the reservoirs that may be recovered. We present a 3D inversion study of synthetic time‐lapse CSEM data for the lateral water flooding of a reservoir unit where the hydrocarbon accumulation is trapped by a thin dome structure. We demonstrate that even with few constraints on the model, the flooding front can be recovered from 3D inversion. In this paper, synthetic time‐lapse CSEM responses are simulated with the threshold about the noise floor and subject to multiple 3D inversion scenarios. The time‐lapse CSEM inverse problem is highly constrained though inherently 3D since the geometry of the reservoir is established prior to production from high resolution seismic surveys; rock and fluid properties are measured from well logs; and multiple history matched production scenarios are contained in dynamic reservoir models.
Measurements of high- <i>T</i> <sub> <i>c</i> </sub> superconductivity in a microwave cavity (1987)

Measurements on a cylindrical microwave cavity with yttrium barium copper oxide end-plates show that this new class of superconductor has low loss at microwave frequencies. Low-loss microwave components operating at liquid nitrogen temperatures could be built using this compound.
Development and evaluation of a profile negotiation process for integrating aircraft and air traffic control automation (1993)

The development and evaluation of the profile negotiation process (PNP), an interactive process between an aircraft and air traffic control (ATC) that integrates airborne and ground-based automation capabilities to determine conflict-free trajectories that are as close to an aircraft's preference as possible, are described. The PNP was evaluated in a real-time simulation experiment conducted jointly by NASA's Ames and Langley Research Centers. The Ames Center/TRACON Automation System (CTAS) was used to support the ATC environment, and the Langley Transport Systems Research Vehicle (TSRV) piloted cab was used to simulate a 4D Flight Management System (FMS) capable aircraft. Both systems were connected in real time by way of voice and data lines; digital datalink communications capability was developed and evaluated as a means of supporting the air/ground exchange of trajectory data. The controllers were able to consistently and effectively negotiate nominally conflict-free vertical profiles with the 4D-equipped aircraft. The actual profiles flown were substantially closer to the aircraft's preference than would have been possible without the PNP. However, there was a strong consensus among the pilots and controllers that the level of automation of the PNP should be increased to make the process more transparent. The experiment demonstrated the importance of an aircraft's ability to accurately execute a negotiated profile as well as the need for digital datalink to support advanced air/ground data communications. The concept of trajectory space is proposed as a comprehensive approach for coupling the processes of trajectory planning and tracking to allow maximum pilot discretion in meeting ATC constraints.
High refractive index Fresnel lens on a fiber fabricated by nanoimprint lithography for immersion applications (2016)

In this Letter, we present a Fresnel lens fabricated on the end of an optical fiber. The lens is fabricated using nanoimprint lithography of a functional high refractive index material, which is suitable for mass production. The main advantage of the presented Fresnel lens compared to a conventional fiber lens is its high refractive index (n=1.68), which enables efficient light focusing even inside other media, such as water or an adhesive. Measurement of the lens performance in an immersion liquid (n=1.51) shows a near diffraction limited focal spot of 810 nm in diameter at the 1/e<sup>2</sup> intensity level for a wavelength of 660 nm. Applications of such fiber lenses include integrated optics, optical trapping, and fiber probes.
Estrogen Deficiency and Risk of Alzheimer's Disease in Women (1994)

The authors explored the possibility that estrogen loss associated with menopause may contribute to the development of Alzheimer's disease by using a case-control study nested within a prospective cohort study. The Leisure World Cohort includes 8,877 female residents of Leisure World Laguna Hills, a retirement community in southern California, who were first mailed a health survey in 1981. From the 2,529 female cohort members who died between 1981 and 1992, the authors identified 138 with Alzheimer's disease or other dementia diagnoses likely to represent Alzheimer's disease (senile dementia, dementia, or senility) mentioned on the death certificate. Four controls were individually matched by birth date (+/- 1 year) and death date (+1 year) to each case. The risk of Alzheimer's disease and related dementia was less in estrogen users relative to nonusers (odds ratio = 0.69, 95 percent confidence interval 0.46-1.03). The risk decreased significantly with increasing estrogen dose and with increasing duration of estrogen use. Risk was also associated with variables related to endogenous estrogen levels; it increased with increasing age at menarche and (although not statistically significant) decreased with increasing weight. This study suggests that the increased incidence of Alzheimer's disease in older women may be due to estrogen deficiency and that estrogen replacement therapy may be useful for preventing or delaying the onset of this dementia.
Expression of cyclooxygenase-1 and -2 in normal and glaucomatous human eyes. (2001)

Both cyclooxygenase isoforms are constitutively expressed in the normal human eye. Specific loss of COX-2 expression in the nonpigmented secretory epithelium of the ciliary body appears to be linked to the occurrence of POAG and steroid-induced glaucoma.
1010. Derivatives of dibenzofuran and dibenzothiophen. Part II. Free-radical phenylation of dibenzothiophen (1962)

E. B. McCall, A. J. Neale and T. J. Rawlings, J. Chem. Soc., 1962, 5288 DOI: 10.1039/JR9620005288
Healing of ischemic colonic anastomoses in the rat: role of antibiotic preparation. (1985)

In this study we evaluated the relative effects of ischemia with and without antibiotic bowel preparation on colonic wound healing. Thirty-two Sprague-Dawley rats (185 to 300 gm) were divided into five study groups: Groups I and II (n = 14) had no colonic ischemia, half receiving antibiotic bowel preparation before colocolostomy. Groups III, IV, and V (n = 18) had colonic ischemia induced by division of the marginal artery and ligation of the arteries to the splenic flexure and pelvic colon, assuring that all blood supply to the left side of the colon was intramural. Enteral (neomycin and erythromycin) antibiotic preparation was given in group III, no antibiotics were given in group IV, and parenteral (clindamycin and gentamicin) preparation was given in group V. The mid-left side of the colon was transected and an everting anastomosis was constructed with continuous 6.0 silk sutures. All animals were killed on the seventh postoperative day. Anastomotic healing in unprepared, ischemic rat colon was severely impaired, with an 83% dehiscence rate. In the colon prepared with enteral antibiotics, no adverse effect of ischemia was found. No animal had dehiscence, proximal dilation of the colon, or intra-abdominal abscess. This study may have clinical relevance in patients with ischemic intestinal disorders.
Overcoming the Inadequacies or Limitations of Experimental Structures as Drug Targets by Using Computational Modeling Tools and Molecular Dynamics Simulations (2007)

X-ray crystallography, NMR spectroscopy, and cryoelectron microscopy stand out as powerful tools that enable us to obtain atomic detail about biomolecules that can be potentially targeted by drugs. This knowledge is essential if virtual screening or structure-based ligand-design methods are going to be used in drug discovery. However, the macromolecule of interest is not always amenable to these types of experiment or, as is often the case, the conformation found experimentally cannot be used directly for docking studies because of significant changes between apo and bound forms. Furthermore, sometimes the desired insight into the binding mechanism cannot be gained because the structure of the ligand-receptor complex, not having been time-resolved, represents the endpoint of the binding process and therefore retains little or no information about the intermediate stages that led to its creation. Molecular dynamics (MD) simulations are routinely applied these days to the study of biomolecular systems with the aims of sampling configuration space more efficiently and getting a better understanding of the factors that determine structural stability and relevant biophysical and biochemical processes such as protein folding, ligand binding, and enzymatic reactions. This field has matured significantly in recent years, and strategies have been devised (for example activated, steered, or targeted MD) that allow the calculated trajectories to be biased in attempts to properly shape a ligand binding pocket or simulate large-scale motions involving one or more protein domains. On the other hand, low-frequency motions can be simulated quite inexpensively by calculation of normal modes which allow the investigation of alternative receptor conformations. Selected examples in which these methods have been applied to several medicinal chemistry and in silico pharmacology endeavors are presented.
An Essential Role in Molting and Morphogenesis of Caenorhabditis elegans for ACN-1, a Novel Member of the Angiotensin-converting Enzyme Family That Lacks a Metallopeptidase Active Site (2003)

Genome sequence analyses predict many proteins that are structurally related to proteases but lack catalytic residues, thus making functional assignment difficult. We show that one of these proteins (ACN-1), a unique multi-domain angiotensin-converting enzyme (ACE)-like protein from Caenorhabditis elegans, is essential for larval development and adult morphogenesis. Green fluorescent protein-tagged ACN-1 is expressed in hypodermal cells, the developing vulva, and the ray papillae of the male tail. The hypodermal expression of acn-1 appears to be controlled by nhr-23 and nhr-25, two nuclear hormone receptors known to regulate molting in C. elegans. acn-1(RNAi) causes arrest of larval development because of a molting defect, a protruding vulva in adult hermaphrodites, severely disrupted alae, and an incomplete seam syncytium. Adult males also have multiple tail defects. The failure of the larval seam cells to undergo normal cell fusion is the likely reason for the severe disruption of the adult alae. We propose that alteration of the ancestral ACE during evolution, by loss of the metallopeptidase active site and the addition of new protein modules, has provided opportunities for novel molecular interactions important for post-embryonic development in nematodes.
An Infinite Phase Shift Delay-Locked Loop With Voltage-Controlled Sawtooth Delay Line (2008)

A wide-range delay-locked loop (DLL) with infinite phase shift and digital-controlled duty cycle is presented. By changing the polarity of the input clock of the voltage-controlled sawtooth delay, this proposed DLL achieves infinite phase shift by only a single loop. The proposed DLL has been fabricated in a 0.18 mum CMOS process and the core area is 0.45×0.3 mm<sup>2</sup>. The measurement results show the proposed DLL operates from 50 to 500 MHz. The duty cycle of the output clock can be adjusted from 30% to 60% in the step of 5%. At 500 MHz, the measured rms jitter and peak-to-peak jitter is 1.43 and 11.1 ps, respectively. Its power consumption is 6 mW for a supply of 1.5 V.
Elimination of out-of-band emissions in Digital Radio Mondiale transmissions using the genetic algorithm (2008)

When transmitting high-power digital radio Mondiale (DRM) signal from non-linear transmitters, out-of-band emissions are the critical problem since the emitted spectrum does not satisfy spectral mask defined in relevant standards. Several methods have been developed that minimize out-of-band emissions, based on adding spectrally formed impulses to the signal, thus causing high non-selective distortion of modulation characteristics of the digital signal. In order to reduce the amount of those distortions, a new method has been developed for partial elimination of out-of-band emissions by preprocessing signal in digital domain prior to orthogonal frequency-division multiplexing (OFDM) signal construction.
In Silico Investigation on the Binding of Organoselenium Compounds with Target Proteins of SARS-CoV-2 Infection Cycle (2020)

<p>Since the outbreak of coronavirus disease 2019 (COVID-19), researchers have been investigating the potential of several low molecular weight compounds from both natural and synthetic origins to design anti-viral drugs against SARS-CoV-2. On similar lines, the present study is aimed to evaluate different organoselenium compounds and their sulfur analogues by using a molecular docking approach to inhibit viral proteins like spike (S) glycoprotein (PDB code: 6VXX) and main protease (M<sup>pro</sup>) (PDB code: 6LU7) and a host protein, Furin (PDB code: 5MIM), all of which are known to play significant role in SARS-CoV-2 infection cycle. The organoselenium compounds used in the study are mostly <i>in-house</i> synthesized including simple selenium containing amino acids and their derivatives and selenopyridines and their derivatives. The docking calculations were performed using AutoDock Vina. In brief, organoselenium compounds showed stronger binding with the target proteins as compared to their sulfur analogue, except oxidized glutathione. Notably, the most potent docked ligands shared a common structural feature of aromatic amide moieties connected by diselenide bridge. Further, the compounds ebselen diselenide (EbSeSeEb) and nicotinamide diselenide (NictSeSeNict) exhibited the highest binding affinity (in range of ~10<sup>5 </sup>µM<sup>-1</sup>) to all the above three proteins. Thus, the present investigation highlights the influence of structure and substitution of organoselenium compound on their binding with the SARS-CoV-2 proteins and proposes NictSeSeNict as a candidate molecule for evaluating anti-viral activity against SARS-CoV-2 using preclinical biological models.</p>
Realistic expression for full-parallax computer-generated holograms with the ray-tracing method (2012)

This paper presents a calculation method of computer-generated holograms that involves removing the hidden surface and provides realistic rendering. The method was based on the ray-tracing method that simulates rays traveling paths. Rays are cast from every elementary hologram into virtual objects and then the traveling paths of the rays are determined. Since the method is considering intersection with objects, absorption, reflection, and refraction, the method is capable of rendering realistic images. Multiple reflections and refraction are expressed by casting additional rays into the reflection direction and the transmission direction and calculating the length of the light path. To express the quality of materials, the Phong reflection model and Cook-Torrance reflection model were used. Results of optical reconstructions show that the hidden surface removal was conducted. Moreover, the texture of material appeared as well as other effects by the proposed method.
Comparative bacteriology of chronic blepharitis. (1984)

One hundred and fifteen patients with chronic blepharitis were compared with 47 normal controls. Six clinically distinct groups of blepharitis were observed: staphylococcal; seborrhoeic, alone, with associated staphylococcal superinfection, meibomian seborrhoea, or secondary inflammation of the meibomian glands; and meibomian keratoconjunctivitis (MKC). Staphylococcus aureus was isolated in appreciable frequency from the staphylococcal and the mixed staphylococcal/seborrhoeic groups in contrast to the normal and non-staphylococcal groups. Coagulase-negative Staphylococcus spp., Propionibacterium acnes, and cornyneform bacteria were the most commonly isolated bacteria from the lid for all groups. Cultures of material expressed from the meibomian glands yielded similar organisms but in reduced frequency. Testing of antibiotic susceptibility revealed Staph aureus to be usually sensitive to most commonly used ophthalmic antimicrobials except sulphonamides.
Quality of Information as an indicator of Trust in the Internet of Things (2018)

The past decade has seen a rise in complexity and scale of software systems, particularly with the emerging of the Internet of Thing consisting of large scale and heterogeneous entities which results in difficulties in providing trustworthy services. To overcome such challenges, providing high quality information for IoT service provider as well as monitoring trust relationship of end-users toward the services are paramount. Such trust relationships are user-oriented and subjective phenomenon that hook on specific quality of data. Following this catalyst, we propose a mechanism to evaluate quality of information (QoI) for streaming data from sensor device; then use the QoI evaluation score as an indicator of trust. Concepts and assessment methodology for QoI along with a trust monitoring system are described. We also develop a framework that classifies streaming of data based on semantic context and generate QoI score as a relevant input for a trust monitoring component. This framework enables a dynamic trust management in the context of IoT for both end-users and services that empowers service providers to deliver trustworthy and high quality IoT services. Challenges encountered during implementation and contribution in standardization are discussed. We believe this paper offers better understanding on QoI and its importance in trust evaluation in IoT applications; also provides detailed implementation of the QoI and Trust components for real-world applications and services.
A comparison of imaging methodologies for 3D tissue engineering (2010)

Imaging of cells in two dimensions is routinely performed within cell biology and tissue engineering laboratories. When biology moves into three dimensions imaging becomes more challenging, especially when multiple cell types are used. This review compares imaging techniques used regularly in our laboratory in the culture of cells in both two and three dimensions. The techniques reviewed include phase contrast microscopy, fluorescent microscopy, confocal laser scanning microscopy, electron microscopy, and optical coherence tomography. We compare these techniques to the current "gold standard" for imaging three-dimensional tissue engineered constructs, histology.
Aloinosid B, ein neues Glykosid aus Aloe (1964)

Aus Socotra-Aloe wurde durch Polyamidchromatographie in 2-proz. Ausbeute ein Aloinglykosid (Aloinosid B) isoliert, das bei der sauren Hydrolyse l Mol Aloin und l Mol Rhamnose liefert und durch Hydrolyse in Boraxlösung zu Aloeemodinrhamnosid gespalten wird. Durch Verbrennungsanalysen, spektroskopische Untersuchungen und die Methylierung von Aloeemodinrhamnosid ergab sich die Struktur eines Aloeemodin-9-anthron-10-D-glucosyl-11-mono-α-L-rhamnosides. Aloinosid B hat die gleiche Abführwirkung wie das bekannte Aloin.
Role of Caveolin-1 in the Modulation of Lipolysis and Lipid Droplet Formation (2004)

Recently, it was shown that caveolin-1 can be redirected from the cell surface to intracellular lipid droplets in a variety of cell types. Here, we directly address the role of caveolin-1 in lipid droplet formation and breakdown, showing that caveolin-1 null mice exhibit markedly attenuated lipolytic activity. Mechanistically, although the activity of protein kinase A (PKA) was greatly increased in caveolin-1 null adipocytes, the phosphorylation of perilipin was dramatically reduced, indicating that caveolin-1 may facilitate the PKA-mediated phosphorylation of perilipin. In support of this hypothesis, coimmunoprecipitation experiments revealed that treatment with a beta(3)-adrenergic receptor agonist resulted in ligand-induced complex formation between perilipin, caveolin-1, and the catalytic subunit of PKA in wild-type but not in caveolin-1 null fat pads. We also show that caveolin-1 expression is important for efficient lipid droplet formation because caveolin-1 null embryonic fibroblasts stably transfected with perilipin accumulated approximately 4.5-fold less lipid than perilipin-transfected wild-type cells. Finally, high-pressure freeze-substitution electron microscopy of adipose tissue revealed dramatic perturbations in the architecture of the "lipid droplet cortex" (the interface between the lipid droplet surface and the cytoplasm) in caveolin-1 null perigonadal adipocytes. Taken together, our data provide the first molecular genetic evidence that caveolin-1 plays a critical functional and structural role in the modulation of both lipid droplet biogenesis and metabolism in vivo.