gebhart/patrepeval huggingface dataset:
Methoxycarbonylation of vinyl acetate catalysed by palladium complexes of bis(ditertiarybutylphosphinomethyl)benzene and related ligands (2005)

High selectivities to methyl acetoxypropanoate esters (b : l up to 3.6 : 1) are obtained from the methoxycarbonylation of vinyl acetate catalysed by palladium complexes of bis(ditertiarybutylphosphinomethyl)benzene in the presence of acid, provided that the acid concentration does not exceed that of the free phosphine.
Modeling and Analysis of a Power Distribution Network in TSV-Based 3-D Memory IC Including P/G TSVs, On-Chip Decoupling Capacitors, and Silicon Substrate Effects (2012)

In this paper, we propose a model for 3-D stacked on-chip power distribution networks (PDNs) in through silicon via (TSV)-based 3-D memory ICs that includes the effects of power/ground TSVs (P/G TSVs), on-chip decoupling capacitors (on-chip decaps), and the silicon substrate. In the modeling procedure of 3-D stacked on-chip PDNs, the distributed RLGC-lumped model of an on-chip PDN, including the effects of the on-chip decaps and silicon substrate, is proposed. Additionally, the RLGC-lumped model of a P/G TSV pair is introduced. The proposed model of the 3-D stacked on-chip PDN combines the proposed models of on-chip PDNs with the models of P/G TSV pairs in a hierarchical order with a segmentation method. The proposed models of the on-chip PDN and 3-D stacked on-chip PDN are successfully validated by simulations and measurements up to 20 GHz. Additionally, with these models, the impedances of the 3-D stacked on-chip PDNs are analyzed with respect to the variations in the number of P/G TSV pairs, the capacitance of on-chip decaps, and the height of an interlayer dielectric layer between the on-chip PDN and silicon substrate. These variations critically affect the impedance of the 3-D stacked on-chip PDN by changing the capacitance and inductance of the PDN.
Probe diagnostics in a full wave resonator radio-frequency discharge (1998)

A full wave or lambda resonator (λ-R) is a capacitively balanced radio-frequency (rf) inductive plasma source. It has three separate inductive excitation zones with opposite magnetic momenta strictly located at their axial positions. The 2 kW, 27 MHz, 1.4 Torr pressure discharge in oxygen was studied by means of movable single rf compensated fine cylindrical Langmuir probes. Flat wall probes were also used to reveal the distribution of positive ion flux and floating potentials on the chamber wall. The electron density in the λ-R discharge varies from 107–108 cm−3 at 5–10 mm distance from the wafer to 2×1011 cm−3 in the central plasma toroid. One of the main problems of the probe operation is high gas temperature of ∼1500 K in the plasma toroid and high-power dissipation on the probe surface. That is why not only fine cylindrical but also 100–130 μm diam spherical probes were used. The probe technique and preliminary results are presented.
Professional Development of Science Teachers: History of Reform and Contributions of the STS-Based Iowa Chautauqua Program. (2009)

During the last quarter of a century, it became abundantly clear that the desired reforms in science teaching and learning could not be accomplished without significant professional development of in-service science teachers. Yet, there was a dearth of effective professional development models that could lead to the kind of instructional reforms desired. It was soon realized that professional development itself must undergo significant reform. New guidelines for professional development began to be developed in order to reform it. We trace the history of this reform and describe a model that emerged as an exemplar of the new guidelines. This model has been used extensively in the USA and in many other countries of the world. The characteristics of the model, research related to its effectiveness and impact, and its implementation around the world are presented.
Experimental and Computational Investigation of Acetic Acid Deoxygenation over Oxophilic Molybdenum Carbide: Surface Chemistry and Active Site Identity (2016)

Ex situ catalytic fast pyrolysis (CFP) is a promising route for producing fungible biofuels; however, this process requires bifunctional catalysts that favor C–O bond cleavage, activate hydrogen at near atmospheric pressure and high temperature (350–500 °C), and are stable under high-steam, low hydrogen-to-carbon environments. Recently, early transition-metal carbides have been reported to selectively cleave C–O bonds of alcohols, aldehydes, and oxygenated aromatics, yet there is limited understanding of the metal carbide surface chemistry under reaction conditions and the identity of the active sites for deoxygenation. In this paper, we evaluated molybdenum carbide (Mo2C) for the deoxygenation of acetic acid, an abundant component of biomass pyrolysis vapors, under ex situ CFP conditions, and we probed the Mo2C surface chemistry, identity of the active sites, and deoxygenation pathways using in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations. The Mo2C catalyst favored the production of acetaldehyde and ethylene from acetic acid over the temperature range of 250–400 °C, with decarbonylation pathways favored at temperatures greater than 400 °C. Little to no ethanol was observed due to the high activity of the carbide surface for alcohol dehydration. The Mo2C surface, which was at least partially oxidized following pretreatment and exposure to reaction conditions (possibly existing as an oxycarbide), possessed both metallic-like H-adsorption sites (i.e., exposed Mo and C) and Brønsted acidic surface hydroxyl sites, in a ratio of 1:8 metallic:acidic sites following pretreatment. The strength of the acidic sites was similar to that for H-Beta, H-Y, and H-X zeolites. Oxygen vacancy sites (exposed Mo sites) were also present under reaction conditions, inferred from DRIFTS results and calculated surface phase diagrams. It is proposed that C–O bond cleavage steps proceeded over the acidic sites or over the oxygen vacancy sites and that the deoxygenation rate may be limited by the availability of adsorbed hydrogen, due to the high surface coverage of oxygen under reaction conditions. Importantly, the reaction conditions (temperature and partial pressures of H2 and H2O) had a strong effect on oxygen surface coverage, and accordingly, the relative concentrations of the different types of active sites, and could ultimately result in completely different reaction pathways under different reaction conditions.
sup 13 C and sup 31 P NMR (Nuclear Magnetic Resonance) studies of prostate tumor metabolism (1989)

The current research on prostate cancer by NMR spectroscopy and microscopy will most significantly contribute to tumor diagnosis and characterization only if sound biochemical models of tumor metabolism are established and tested. Prior searches focused on universal markers of malignancy, have to date, revealed no universal markers by any method. It is unlikely that NMRS will succeed where other methods have failed, however, NMR spectroscopy does provide a non-invasive means to analyze multiple compounds simultaneously in vivo. In order to fully evaluate the ability of NMRS to differentiate non-malignant from malignant tissues it is necessary to determine sufficient multiple parameters from specific, well-diagnosed, histological tumor types that, in comparison to normal tissue and non-neoplastic, non-normal pathologies from which the given neoplasm must be differentiated, one has enough degrees of freedom to make a mathematically and statistically significant determination. Confounding factors may consist of tumor heterogeneity arising from regional variations in differentiation, ischemia, necrosis, hemorrhage, inflammation and the presence of intermingled normal tissue. One related aspect of our work is the development of {l brace}{sup 13}C{r brace}-{sup 1}H metabolic imaging of {sup 13}C for metabolic characterization, with enhanced spatial localization (46). This should markedly extend the range of potential clinical NMR uses because the spatial variation in prostate metabolism may prove to be just as important in tumor diagnoses as bulk (volume-averaged) properties themselves. It is our hope that NMRS and spectroscopic imaging will reveal a sound correlation between prostate metabolism and tumor properties that will be clinically straightforward and useful for diagnosis.
Potential and Economic Efficiency of Carbon Sequestration in Forest Biomass Through Silvicultural Management (2018)

This chapter discusses in principle some vital methodological issues which have to be considered when analyzing how preferable measures in forestry are to decrease the atmospheric concentration of greenhouse gases (GHGs). It presents the case study which is based on forest-level optimization with a model estimating carbon flows related to forest biomass growth and decay, linked to a long-range forest management planning (LFMP) model. Alternative stand treatment schedules are simulated, and the forest management problem is solved by linear programming in a model type LFMP model for the county of Buskerud, with a forest area of 574,000 ha. The potential for increasing the net carbon sequestration related to timber production by changes in the forest management over a time period of 30 yr is studied. The chapter estimates the potential and cost efficiency of increasing the future net CO2 fixation by changing forest management, within a given period of time, on an initially forested area.
Determining a Sub-nanometer Resolution Structure of a Helicobacter pylori VacA Toxin Oligomer (2015)

Journal Article Determining a Sub-nanometer Resolution Structure of a Helicobacter pylori VacA Toxin Oligomer Get access Tasia M Pyburn, Tasia M Pyburn Department of Cell and Developmental Biology, Vanderbilt University School of Medicine, Nashville, Tennessee, USA Search for other works by this author on: Oxford Academic Google Scholar Nora J Foegeding, Nora J Foegeding Department of Cell and Developmental Biology, Vanderbilt University School of Medicine, Nashville, Tennessee, USA Search for other works by this author on: Oxford Academic Google Scholar Timothy L Cover, Timothy L Cover Department of Medicine, Vanderbilt University School of Medicine, Nashville, TN USADepartment of Pathology, Microbiology and Immunology, Vanderbilt University School of Medicine, Nashville, TN USAVeterans Affairs Medical Center, Nashville, Tennessee, USA Search for other works by this author on: Oxford Academic Google Scholar Melanie D Ohi Melanie D Ohi Department of Cell and Developmental Biology, Vanderbilt University School of Medicine, Nashville, Tennessee, USA Search for other works by this author on: Oxford Academic Google Scholar Microscopy and Microanalysis, Volume 21, Issue S3, 1 August 2015, Pages 55–56, https://doi.org/10.1017/S1431927615001075 Published: 23 September 2015
Polyfluorene-Based Bioconjugates for Selective Detection of Ferritin in Normal and Cancer Human Blood Serums (2018)

A new highly conjugated polymer–bioconjugate poly[9,9-bis(6′-adenine) hexyl)fluorene-co-4,7-(2,1,3 benzothiadiazole)] (PFBT-A) is developed using the well-known Pd(PPh3)4-catalyzed Suzuki cross-coupling polymerization reaction with a simple purification method. PFBT-A showed excellent sensitivity toward the iron containing metalloprotein and the well-known cancer biomarker ferritin with a detection limit as low as 0.164 nM (i.e., 71.05 ng/mL), which is much below the ferritin level observed in the blood serum of cancer patients. Detailed mechanistic study confirmed the presence of static ground state complexation and electrostatic interaction between the probe and the analyte, leading to quenching in fluorescence intensity of the probe. Real-time applications with the probe were performed in the unspiked serum samples of two normal people and two cancer patients (carcinoma valva and chronic myeloid leukemia) with significantly high ferritin content. Further analysis of PFBT-A in spiked normal blood serum samples showed good recoveries in the range of 102–102.5% with relative standard deviations (RSDs) within 1.07–1.16%, confirming the reliability and practical applicability of PFBT-A for ferritin detection in human blood serum. In the case of cancer blood serums, the recoveries were high, in the range of 105–109%, showing a high level of ferritin in cancer patients.
Responsive Block Copolymer Photonics Triggered by Protein–Polyelectrolyte Coacervation (2014)

Ionic interactions between proteins and polyelectrolytes are demonstrated as a method to trigger responsive transitions in block copolymer (BCP) photonic gels containing one neutral hydrophobic block and one cationic hydrophilic block. Poly(2-vinylpyridine) (P2VP) blocks in lamellar poly(styrene-b-2-vinylpyridine) block copolymer thin films are quaternized with primary bromides to yield swollen gels that show strong reflectivity peaks in the visible range; exposure to aqueous solutions of various proteins alters the swelling ratios of the quaternized P2VP (QP2VP) gel layers in the PS-QP2VP materials due to the ionic interactions between proteins and the polyelectrolyte. Parameters such as charge density, hydrophobicity, and cross-link density of the QP2VP gel layers as well as the charge and size of the proteins play significant roles on the photonic responses of the BCP gels. Differences in the size and pH-dependent charge of proteins provide a basis for fingerprinting proteins based on their temporal and equilibrium photonic response. The results demonstrate that the BCP gels and their photonic effect provide a robust and visually interpretable method to differentiate different proteins.
A Secure Distributed Transport Protocol for Wireless Sensor Networks (2011)

We propose a secure distributed transport protocol for wireless sensor networks that resists against attacks on the reliability service provided by the protocol, as well as against energy depleting attacks. Our protocol is based on the Distributed Transport for Sensor Networks (DTSN) protocol, to which we add a security extension that consists in an efficient, symmetric key based authentication scheme for control packets. Besides describing the operation of our protocol, we also provide its analysis in terms of security and overhead.
Rapid and Stable Processing for a Low Silver System (2001)

Low silver color paper processing systems incorporating redox amplification are of two types, those with a combined developer/amplifier bath and those with separate developer and amplifier baths, and attempts to achieve a practical system with either have been fraught with difficulty. We were successful, however, in designing a system with separate developer and amplifier baths that employs the selection of processing solution additives and conditions to surmount the difficulties of solution stability and image degradation. In addition, the low silver system made it possible to employ hydrogen peroxide for bleaching agent and sodium sulfite for fixing agent. The system provides robust environmental protection, and delivering high-speed processing.
Biocatalysis as a Profound Tool in the Preparation of Highly Enantiopure β‐Amino Acids (2006)

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, please click on HTML or PDF.
Disposable Condenser Humidifiers in Intensive Care (1981)

Two disposable condenser humidifiers were evaluated in nine ventilated intensive care patients. The Portex "Humid Vent" delivered end-inspired absolute humidities of 22--26.3 g/m3 at end-inspired temperatures of 27--28.3 degrees C. Corresponding humidities and temperatures with the Servo "Humidifier 150" were higher and were constant, at 27.7--29 g/m3 and 29.3--29.7 degrees C respectively. These disposable devices can be used for humidification in intensive care, but only for patients breathing room air, or on a short term basis.
Novel side-chain alternative copolymer combined FRET and DRET with large pseudo-Stokes shift and polarity-sensitive fluorescence behavior (2019)

A novel alternative copolymer incorporating tetraphenylethene (TPE) and naphthalimide (NI) into styrene and maleic anhydride as side chains was designed and synthesized.
LRP1-mediated pH-sensitive polymersomes facilitate combination therapy of glioblastoma in vitro and in vivo (2021)

In summary, a new pH-sensitive drug delivery system was fabricated for the treatment of glioblastoma. The new BBB-traversing drug delivery system potentially represents a novel approach to improve the effects of the treatment of intracranial tumors and provides hope for glioblastoma treatment.
Stacking Structure of Confined 1‐Butanol in SBA‐15 Investigated by Solid‐State NMR Spectroscopy (2009)

Understanding the complex thermodynamic behavior of confined amphiphilic molecules in biological or mesoporous hosts requires detailed knowledge of the stacking structures. Here, we present detailed solid-state NMR spectroscopic investigations on 1-butanol molecules confined in the hydrophilic mesoporous SBA-15 host. A range of NMR spectroscopic measurements comprising of (1)H spin-lattice (T(1)), spin-spin (T(2)) relaxation, (13)C cross-polarization (CP), and (1)H,(1)H two-dimensional nuclear Overhauser enhancement spectroscopy ((1)H,(1)H 2D NOESY) with the magic angle spinning (MAS) technique as well as static wide-line (2)H NMR spectra have been used to investigate the dynamics and to observe the stacking structure of confined 1-butanol in SBA-15. The results suggest that not only the molecular reorientation but also the exchange motions of confined molecules of 1-butanol are extremely restricted in the confined space of the SBA-15 pores. The dynamics of the confined molecules of 1-butanol imply that the (1)H,(1)H 2D NOESY should be an appropriate technique to observe the stacking structure of confined amphiphilc molecules. This study is the first to observe that a significant part of confined 1-butanol molecules are orientated as tilted bilayered structures on the surface of the host SBA-15 pores in a time-average state by solid-state NMR spectroscopy with the (1)H,(1)H 2D NOESY technique.
Flow patterning in Hele-Shaw configurations using non-uniform electro-osmotic slip (2015)

We present an analytical study of electro-osmotic flow in a Hele-Shaw configuration with non-uniform zeta potential distribution. Applying the lubrication approximation and assuming thin electric double layer, we obtain a pair of uncoupled Poisson equations for the pressure and depth-averaged stream function, and show that the inhomogeneous parts in these equations are governed by gradients in zeta potential parallel and perpendicular to the applied electric field, respectively. We obtain a solution for the case of a disk-shaped region with uniform zeta potential and show that the flow field created is an exact dipole, even in the immediate vicinity of the disk. In addition, we study the inverse problem where the desired flow field is known and solve for the zeta potential distribution required in order to establish it. Finally, we demonstrate that such inverse problem solutions can be used to create directional flows confined within narrow regions, without physical walls. Such solutions are equivalent to flow within channels and we show that these can be assembled to create complex microfluidic networks, composed of intersecting channels and turns, which are basic building blocks in microfluidic devices.
Materials Properties Handbook: Titanium Alloys (1994)

Comprehensive datasheets on more than 60 titanium alloys More than 200 pages on metallurgy and fabrication procedures Input from more than 50 contributors from several countries Careful editorial review for accuracy and usefulness. Materials Properties Handbook: Titanium Alloys provides a data base for information on titanium and its alloys, and the selection of specific alloys for specific applications. The most comprehensive titanium data package ever assembled provides extensive information on applications, physical properties, corrosion, mechanical properties (including design allowances where available), fatigue, fracture properties, and elevated temperature properties. The appropriate specifications for each alloy are included. This international effort has provided a broad information base that has been compiled and reviewed by leading experts within the titanium industry, from several countries, encompassing numerous technology areas. Inputs have been obtained from the titanium industry, fabricators, users, government and academia. This up-to-date package covers information from almost the inception of the titanium industry, in the 1950s, to mid-1992. The information, organized by alloy, makes this exhaustive collection an easy-to-use data base at your fingertips, which generally includes all the product forms for each alloy. The 60-plus data sheets supply not only extensive graphical and tabular information on properties, but the datasheets also describe or illustrate important factors which would aid in the selection of the proper alloy or heat treatment. The datasheets are further supplemented with back-ground information on the metallurgy and fabrication characteristics of titanium alloys. An especially extensive coverage of properties, processing and metallurgy is provided in the datasheet for the workhorse of the titanium industry, Ti-6Al-4V. This compendium includes the newest alloys made public. even those still under development. In many cases, key references are included for further information on a given subject. Comprehensive datasheets provide extensive information on: Applications, Specifications, Corrosion, Mechanical Design Properties, Fatigue and Fracture
Directed evolution of an orthogonal nucleoside analog kinase via fluorescence-activated cell sorting (2009)

Nucleoside analogs (NAs) represent an important category of prodrugs for the treatment of viral infections and cancer, yet the biological potency of many analogs is compromised by their inefficient activation through cellular 2'-deoxyribonucleoside kinases (dNKs). We herein report the directed evolution and characterization of an orthogonal NA kinase for 3'-deoxythymidine (ddT), using a new FACS-based screening protocol in combination with a fluorescent analog of ddT. Four rounds of random mutagenesis and DNA shuffling of Drosophila melanogaster 2'-deoxynucleoside kinase, followed by FACS analysis, yielded an orthogonal ddT kinase with a 6-fold higher activity for the NA and a 20-fold k(cat)/K(M) preference for ddT over thymidine, an overall 10,000-fold change in substrate specificity. The contributions of individual amino acid substitutions in the ddT kinase were evaluated by reverse engineering, enabling a detailed structure-function analysis to rationalize the observed changes in performance. Based on our results, kinase engineering with fluorescent NAs and FACS should prove a highly versatile method for evolving selective kinase:NA pairs and for studying fundamental aspects of the structure-function relationship in dNKs.