gebhart/patrepeval huggingface dataset:
Palladium-Catalyzed Amination of Unprotected Five-Membered Heterocyclic Bromides (2014)

ABSTRACT: An efficient method for the palladium-catalyzed amination of unprotected bromoimidazoles and bromopyr-azoles is presented. The transformation is facilitated by the use of our newly developed Pd precatalyst based on the bulky biarylphosphine ligand tBuBrettPhos (L4). The mild reaction conditions employed allow for the preparation of a broad scope of aminoimidazoles and aminopyrazoles in moderate to excellent yields. The past decade has seen growing efforts in developingmethods toward the functionalization of five-membered nitrogen-containing heterocycles.1 Their unique biological properties and their ability to engage in hydrogen bond interactions has rendered these subunits useful components of medicinally relevant molecules.2 Among these compounds, five-membered aminoheterocycles such as aminoimidazoles3a,b and aminopyrazoles3c,d have attracted considerable interest (Figure 1). An obvious means to prepare aminoheterocycles is by using
Mapping of the organization of p-nitroaniline in SAPO-5 by second-harmonic generation microscopy (2010)

Second-harmonic generation microscopy (SHGM) has been employed to study crystals of zeolite-like material SAPO-5 filled with p-nitroaniline (PNA). The SHG and 2-photon fluorescence response of PNA in the one-dimensional channels readily reveals the pore accessibility; intergrown crystallites containing hexagonal pyramidal components and internal diffusion barriers are found next to seemingly perfect crystals. The sensitivity of second-harmonic generation to molecular orientation allowed for mapping of the domains of differently organized PNA. Dense domains of highly aligned PNA alternate with dilute zones with loosely aligned PNA.
A reservation-based multicast (RBM) routing protocol for mobile networks: overview of initial route construction (2002)

We propose a combined multicast routing and resource reservation protocol, termed reservation-based multicast (RBM), that performs routing in a fashion similar to protocol independent multicast (PIM), but which is intended for mobile operation and routes hierarchically-encoded data streams based on user-specified fidelity requirements, real-time delivery thresholds and prevailing network bandwidth constraints. The protocol retains the fully distributed operation, scalability and receiver-initiated orientation of PIM; but, unlike PIM, the protocol is tightly coupled to an underlying, distributed, unicast routing protocol thereby facilitating operation in a dynamic topology. This paper focuses on the initial route construction phase, assumed to occur during a static "snapshot" of the dynamic topology, and therefore outlines an approach to reservation-based multicast routing for fixed networks as well, e.g. the Internet.
Rab3 dissociation and clathrin-mediated endocytosis, two key steps in the exo-endocytotic pathway of large dense-cored vesicles in primary cultures of superior cervical ganglia. (1997)

In this study we have used primary cultures of porcine superior cervical ganglia as a model system to study exo-endocytosis in sympathetic neurons. Pure neuronal cultures with a defined noradrenergic phenotype can be obtained when antimitotics are included in the culture medium, and the high yield from prenatal piglets allows a biochemical approach in addition to morphological studies. Release of large dense-cored vesicles (LDCVs) was visualized by exposing stimulated neurons to anti-dopamine-beta-hydroxylase (D beta H) prior to fixation. Double immunofluorescent staining revealed that synaptotagmin was colocalized with anti-D beta H labeled exocytotic spots, but not the small GTP-binding protein rab3. Density gradient centrifugation of a postmitochondrial supernatant of cultured cells confirmed the dissociation of rab3 from a population of mature LDCVs. As expected, rab3 did not reassociate with the lighter D beta H-positive membrane fraction in the gradient representing internalized LDCV membranes. The fluid phase marker horseradish peroxidase colocalized with retrieved LDCV membranes. Indirect immunofluorescence demonstrated the colocalization of clathrin with D beta H-positive exocytotic spots on the plasma membrane. At the ultrastructural level, depolarization of neurons resulted in the abrupt loss of LDCVs and concomitant appearance of clathrin-coated vesicles and coated omega profiles. The size distribution of coated structures overlapped strongly with that of LDCVs. Taken together, these data clearly suggest that two key regulatory events in the process of exo-endocytosis, i.e. rab3 dissociation and clathrin-mediated internalization, are not only reminiscent of small synaptic vesicles, but also are a feature of the LDCV pathway at the presynaptic plasma membrane of sympathetic neurons.
Analysis and implementation of a tubular motor with Halbach magnet array (2002)

In the machine tool industry, direct-drive linear motor technology is of increasing interest as a means to achieve high acceleration, and to increase reliability. This paper discusses the analysis, design and operating characteristics of a novel ironless tubular linear motor that incorporates a magnet array with a magnetization pattern inspired by the Halbash array used in synchrotron light sources. The advantages of such a motor are that it is free of cogging, has efficient cooling, and has low inductance. The authors derive magnetic field solutions, force relations and commutation laws for the motor. Test results such as thrust measurements and step response are also given to confirm the analysis.
Phytochemical analysis of Anthyllis hermanniae – Leguminosae, and development of a sensitive UHPLC-HRMS/MS method for the rapid analysis of the phenolic content (2011)

Anthyllis genus includes several species, very few of which are investigated from a phytochemical point of view. Previous works about the phytochemical analysis of the aerial parts of some species describe the isolation and structure elucidation of several glycosides of kaempferol, quercetin and other flavonoid aglycons [1–4].
A Concise Route to Structurally Diverse DMP 323 Analogues via Highly Functionalized 1,4‐Diamines. (2003)

Abstract For Abstract see ChemInform Abstract in Full Text.
Fabrication of a graded-wavelength guided-mode resonance filter photonic crystal (2006)

The authors report on the fabrication and characterization of a guided-mode resonance filter whose spectral reflectance features vary in a linear fashion as a function of position on the filter. This device was fabricated using nanoreplica molding in conjunction with a linearly graded TiO2 thin film deposition. The magnitude of gradation of the thin film was approximately 85nm over a distance of 26mm, which resulted in the spectral location of the primary reflection feature of the filter to be nearly linearly graded spanning a range of 798–909nm across the 26mm surface.
Purification and Characterization of Exonuclease V from Escherichia coli K-12 (1984)

The recB and recC genes of Escherichia coli K-12 have been shown to encode subunits of exonuclease V (ExoV) (Tomizawa and Ogawa 1972; Kushner, 1974a,b), an enzyme that functions in vitro as an ATP-dependent exonuclease, an ATP-stimulated endonuclease, a DNA-dependent ATPase, and a DNA helicase (Muskavitch and Linn 1981, 1982). Since mutations in either gene are phenotypically recombination deficient and sensitive to DNA-damaging agents (for review, see Clark 1973), considerable effort has been invested in determining the in vivo role of the enzyme. The fact that recB- and recC-deficient strains segregate inviable cells (lethal sectoring; Haeffner 1968) has also suggested a role for the enzyme in general cell viability.
Prodigiosins uncouple lysosomal vacuolar-type ATPase through promotion of H+/Cl− symport (1998)

We reported previously [Kataoka, Muroi, Ohkuma, Waritani, Magae, Takatsuki, Kondo, Yamasaki and Nagai (1995) FEBS Lett. 359, 53-59] that prodigiosin 25-C (one of the red pigments of the prodigiosin group produced by micro-organisms like Streptomyces and Serratia) uncoupled vacuolar H+-ATPase, inhibited vacuolar acidification and affected glycoprotein processing. In the present study we show that prodigiosin, metacycloprodigiosin and prodigiosin 25-C, all raise intralysosomal pH through inhibition of lysosomal acidification driven by vacuolar-type (V-)ATPase without inhibiting ATP hydrolysis in a dose-dependent manner with IC50 values of 30-120 pmol/mg of protein. The inhibition against lysosomal acidification was quick and reversible, showing kinetics of simple non-competitive (for ATP) inhibition. However, the prodigiosins neither raised the internal pH of isolated lysosomes nor showed ionophoric activity against H+ or K+ at concentrations where they strongly inhibited lysosomal acidification. They required Cl- for their acidification inhibitory activity even when driven in the presence of K+ and valinomycin, suggesting that their target is not anion (chloride) channel(s). In fact, the prodigiosins inhibited acidification of proteoliposomes devoid of anion channels that were reconstituted from lysosomal vacuolar-type (V-)ATPase and Escherichia coli phospholipids. However, they did not inhibit the formation of an inside-positive membrane potential driven by lysosomal V-ATPase. Instead, they caused quick reversal of acidified pH driven by lysosomal V-ATPase and, in acidic buffer, produced quick acidification of lysosomal pH, both only in the presence of Cl-. In addition, they induced swelling of liposomes and erythrocytes in iso-osmotic ammonium salt of chloride but not of gluconate, suggesting the promotion of Cl- entry by prodigiosins. These results suggest that prodigiosins facilitate the symport of H+ with Cl- (or exchange of OH- with Cl-) through lysosomal membranes, resulting in uncoupling of vacuolar H+-ATPase.
Supercritical Fluid Extraction as a Successful Technique for Pesticides Estimation (1970)

Recently Supercritical fluid extraction (SFE) has been focused as successful sample preparation step for pesticide multiresidue analysis due to its numerous advantages over classical solvent extractions (mainly rapidity, selectivity, low solvent volume requirement). However, developing SFE for pesticides is linked to numerous factors like pressure, temperature inside the cell, static time, flow rate and dynamic time (or fluid volume), volume of modifier added etc. Therefore, adequate knowledge is required for a new user to optimize the extraction performance for every new class of pesticides or new matrix to be analysed. Consequently, extraction parameters need to be carefully chosen. For instance, SFE of polar pesticides is enhanced by modifiers added to the matrix or the supercritical fluid. So this article discusses detail the principal strategies for efficient extractions of pesticides from several matrices. Key words: Supercritical fluid extraction (SFE); Pesticides; Pressure; Temperature; Matrix; Soxhlet extraction. DOI: 10.3329/bjsir.v45i1.5183 Bangladesh J. Sci. Ind. Res. 45(1), 47-56, 2010
Readout contrast beyond diffraction limit by a slab of random nanostructures (2007)

A simplified Fourier optics approach is applied to study how near-field optical disks retrieve evanescent signals through random nanostructure. The statistical properties of the random nanostructures are used to realize the general behavior of near-field optical disks. The mechanism of its super-resolution capability and an analytical expression of the readout contrast of near-field optical disks with random apertures are derived. The resolution of near-field optical disk is determined by the size of the random nanostructure.
Blotting from PhastGel to Membranes by Ultrasound (2009)

Ultrasound-based approach for enhanced protein blotting is proposed. Three minutes of ultrasound exposure (1 MHz, 2.5 W/cm(2)) was sufficient for a clear transfer of proteins from a polyacrylamide gel (PhastGel) to nitrocellulose or Nylon 66 Biotrans membrane. The proteins evaluated were prestained sodium dodecyl sulfate-polyacrylamide standards (18,500-106,000 Da) and (14)C-labeled Rainbow protein molecular weight markers (14,300-200,000 Da).
Charge-Based Model for the Drain-Current Variability in Organic Thin-Film Transistors Due to Carrier-Number and Correlated- Mobility Fluctuation (2020)

In this study, a consistent analytical charge-based model for the bias-dependent variability of the drain current of organic thin-film transistors is presented. The proposed model combines both charge-carrier-number-fluctuation effects and correlated-mobility-fluctuation effects to predict the drain-current variation and is verified using experimental data acquired from a statistical population of organic transistors with various channel dimensions, fabricated on flexible polymeric substrates in the coplanar or the staggered device architecture.
Calculation of portal dose using the convolution/superposition method (1996)

The convolution/superposition method was used to predict the dose throughout an extended volume, which includes a phantom and a portal imaging device. From the calculated dose volume, the dose delivered in the portal image plane was extracted and compared to a portal dose image. This comparison aids in verifying the beam configuration or patient setup after delivery of the radiation. The phantoms used to test the accuracy of this method include a solid water cube, a Nuclear Associates CT phantom, and an Alderson Rando thorax phantom. The dose distribution in the image plane was measured with film and an electronic portal imaging device in each case. The calculated portal dose images were within 4% of the measured images for most voxels in the central portion of the field for all of the extended volumes. The convolution/superposition method also enables the determination of the scatter and primary dose contributions using the particular dose deposition kernels for each contribution. The ratio of primary dose to total dose was used to extract the primary dose from the detected portal image, which enhances the megavoltage portal images by removing scatter blurring. By also predicting the primary energy fluence, we can find the ratio of computed primary energy fluence to total dose. Multiplying this ratio by the measured dose image estimates the relative primary energy fluence at the portal imager. The image of primary energy fluence possesses higher contrast and may be used for further quantitative image processing and dose modeling.
A stochastic flow model for a tubular solution polymerization reactor (2007)

Abstract Residence time distributions were evaluated experimentally for three tubular solution polymerization reactors to analyze aspects of the fluid‐dynamic behavior of these reactors. The analysis of the available experimental data indicates that the flow characteristics of these reactors may be subject to stochastic perturbations. A stochastic flow model is then proposed by assuming that a viscous polymer layer is formed in the proximities of the reactor walls and that plugs of polymer material are released at random during the operations. This model is able to represent the available experimental data fairly well for three tubular reactors with different configurations. POLYM. ENG. SCI., 47:1839–1846, 2007. © 2007 Society of Plastics Engineers
ChemInform Abstract: Efficient Synthesis of Substituted 3‐Acyl‐3,4‐dihydrobenzo[d][1,2,3]triazines. (2009)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 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.
Solvent-Dependent Stabilization of the E Configuration of Propargylic Secondary Amides (2000)

Secondary amides typically exist 98-99% in the Z rotamer to avoid steric repulsion between the substituent on the carbonyl carbon and the nitrogen. In contrast, secondary amide 3a displays 24% E rotamer at room temperature in aqueous solution. The analogous ester displays 6% E rotamer in chloroform, which suggests that the relatively high E conformer population observed for 3a in water results in part from the low steric bulk of the sp-hybridized carbons and in part from the hydrophobic effect.
Perinataal beleid bij extreme vroeggeboorte EEN ONDERzOEK NaaR DE ImPlEmENTaTIE VaN DE RICHTlIJN (2013)

To determine to what extent the recommendations to actively treat preterm infants with a gestational age of 24 weeks upwards laid down in the guidelines 'Perinatal policy in cases of extreme prematurity' have influenced policy in Dutch perinatal centres in the first year after publication, and what the health outcomes were. Retrospective, descriptive study. Our study population included all pregnant women who were admitted to a perinatal centre at 23 5/7 to 26 weeks gestation with a diagnosis of 'threatened preterm labour', and their preterm infants. We collected both obstetric data and data on survival and morbidity of the infants from the medical files. Of a total of 192 preterm infants 185 (96%) were born alive; 92% of these infants were admitted to the neonatal intensive care unit. Survival rates were 43% and 61% at 24 weeks and 25 weeks gestation, respectively. Short-term morbidity (bronchopulmonary dysplasia, retinopathy of the newborn, severe intraventricular haemorrhage, necrotising enterocolitis and persistent ductus arteriosus) occurred in 79% and 71% of the infants born at 24 weeks and 25 weeks gestation, respectively. The recommendations from these guidelines have been implemented swiftly in Dutch perinatal centres, and survival of extremely preterm infants has increased. This has imposed a considerable burden on the capacity of these centres. Little is yet known about the long-term (up to school-age) health and survival of these infants
Comparison of the Nanopulse Lithotripter to the Holmium Laser: Stone Fragmentation Efficiency and Impact on Flexible Ureteroscope Deflection and Flow (2016)

NPL shows improved SFE compared with HoL. Flow with the 2.0F probe is akin to a stone basket. NPL offers an effective alternative to HoL.
Excited state dynamics in polymethine molecules detected by polarization-resolved pump-probe measurements (2002)

Excited-state absorption of polymethine dyes in various media is measured using polarization-resolved, picosecond and femtosecond pump-probe techniques. These measurements yield information about decay and reorientation times, solvent effects, and orientation of excited-state transition moments.
Low-control and robust quantum refrigerator and applications with electronic spins in diamond (2018)

We propose a general protocol for low-control refrigeration and thermometry of thermal qubits, which can be implemented using electronic spins in diamond. The refrigeration is implemented by a probe, consisting of a network of interacting spins. The protocol involves two operations: (i) free evolution of the probe; and (ii) a swap gate between one spin in the probe and the thermal qubit we wish to cool. We show that if the initial state of the probe falls within a suitable range, and the free evolution of the probe is both unital and conserves the excitation in the $z$ direction, then the cooling protocol will always succeed, with an efficiency that depends on the rate of spin dephasing and the swap-gate fidelity. Furthermore, measuring the probe after it has cooled many qubits provides an estimate of their temperature. We provide a specific example where the probe is a Heisenberg spin chain, and suggest a physical implementation using electronic spins in diamond. Here, the probe is constituted of nitrogen vacancy (NV) centers, while the thermal qubits are dark spins. By using a novel pulse sequence, a chain of NV centers can be made to evolve according to a Heisenberg Hamiltonian. This proposal allows for a range of applications, such as NV-based nuclear magnetic resonance of photosensitive molecules kept in a dark spot on a sample, and it opens up possibilities for the study of quantum thermodynamics, environment-assisted sensing, and many-body physics.
CD4dull+ hematopoietic progenitor cells in murine bone marrow (1993)

CD4+ cells comprise approximately 3% to 6% of murine bone marrow (BM) cells. The majority are CD4dull+, but there are two distinct sub populations: CD4 brightly positive Gr-1- cells (CD4hiGr-1-) and CD4+ Gr-1+ cells (CD4loGr-1lo). CD4hiGr-1- cells are considered to be mature T cells by cell surface antigen expression and morphology. CD4loGr-1lo cells, which comprise approximately 0.6% of the BM cells, express small amount of B220 and Thy1 antigens. Interestingly, colony-forming units (CFU)-spleen and CFU-C are not enriched in this population. However, when injected into lethally irradiated mice, CD4loGr-1lo cells were shown to differentiate into T-cell, B-cell, and myelo-monocyte lineages when assayed 26 weeks after transplantation. Furthermore, donor-derived CD4loGr-1lo cells were present in the recipients' BM at least 16 weeks after transplantation. These observations suggest that murine CD4loGr-1lo cells in BM have self-renewal capability and retain the ability to differentiate into at least three lineages in long-term hematopoiesis.
Modeling Strategies for the Propagation of Terminal Double Bonds During the Polymerization of N‐Vinylpyrrolidone and Experimental Validation (2020)

Abstract Based on a recently suggested reaction mechanism, which involves the production and propagation of terminal double bonds (TDBs), kinetic models for the polymerization of N‐vinylpyrrolidone in aqueous solution are developed. Two modeling strategies, the classes and the pseudodistribution approach, are applied to handle the multidimensional property distributions that result from this reaction mechanism and to get detailed structural property information, e.g., on the chain length distribution and the distribution of TDBs. The structural property information is then used to develop reduced models with significantly lower computational effort, which can be used for process design, on‐line applications or coupled to computational fluid dynamic simulations. To validate the derivations, the models are first compared against each other and finally to experimental results from a continuous stirred tank reactor. The evolution of monomer conversion and molecular weight average data as well as molecular weight distributions can be represented very well by the models that are derived in this article. These results support the correctness of the reaction mechanism predicted by quantum mechanical simulations.
Photochemical C–H oxygenation of side-chain methyl groups in polypropylene with chlorine dioxide (2019)

The chlorine dioxide radical (ClO2˙) was found to act as an efficient oxidizing agent for the aerobic C-H oxygenation of the side-chain methyl groups in polypropylene under photoirradiation and ambient conditions (298 K and 1 atm). The oxygenated side-chain methyl groups were selectively converted to carboxylic acid and hydroxy groups.
Communication Platform for Image Analysis and Sharing in Biology (2014)

Image analysis is crucial to medical and biological applications. Recent advances in imaging technology have led to the demand for processing and visualizing a large amount of three-dimensional (3D) biomedical images. In addition, cloud computing has become popular for managing big data. Unfortunately, conventional image-processing systems either lack cloud computing services or advanced 3D processing abilities. In this paper, we present a novel cloud-based system for sharing, processing, and visualizing 3D biomedical images. Our system employs a standard web browser as a client interface that interactively communicates with high-performance servers. Thus, an inexpensive tablet PC without an advanced graphics processing unit (GPU) can be used for 3D image processing and visualization. Our system provides the sharing of limited software and hardware resources, and it allows for effective collaboration between researchers. We demonstrate the applicability and functionality of the system by examining typical case studies on biomedical images. We also examine the performance of our system numerically.