gebhart/patrepeval huggingface dataset:
Mechanism of emulsion polymerization (1985)

Abstract Both conventional and inverse emulsion polymerization comprise the emulsification of an immiscible monomer in a continuous medium followed by polymerization with a free radical initiator to give a colloidal sol of polymer particles. Both processes give “emulsion polymerization kinetics,” i.e., a proportionality of both the polymerization rate and polymer molecular weight to the number of particles instead of the inverse relationship between rate and molecular weight observed for mass, solution, and suspension polymerization. The emulsion polymerization process can be divided into particle nucleation and particle growth stages and can be carried out using batch, semicontinuous, or continuous processes. Seeded emulsion polymerization can be used to avoid the particle nucleation stage in all three processes. The many mechanisms proposed for the initiation of emulsion polymerization can be divided into four categories according to the locus of particle initiation: (i) monomer‐swollen micelles; (ii) adsorbed emulsifier layer; (iii) aqueous phase; (iv) monomer droplets. These general principles are applied to: (i) the preparation of monodisperse latexes by seeded emulsion polymerization; (ii) the locus of particle initiation for various monomers and initiators; (iii) emulsion copolymerization; (iv) core‐shell emulsion copolymerization; (v) polymerization in fine monomer droplets; (vi) inverse emulsion polymerization.
Supplementary Figure 5 from EMD 1214063 and EMD 1204831 Constitute a New Class of Potent and Highly Selective c-Met Inhibitors (2023)

&lt;p&gt;PDF file - 74K, Effective inhibition of c-Met phosphorylation in U87MG cells. To assess the pharmacodynamic activity of EMD 1214063 and EMD 1204831 in glioblastoma, U87MG glioblastoma cells were exposed for 2 h to either EMD compound. After lysis, the phosphorylation levels of c-Met Y1234/Y1235 auto-phosphorylation site (A) and of c-Met Y1349 adaptor binding site (B) were assessed and correlated with the levels of total c-Met by a Luminex-based assay. Y1234/Y1235 EC50 values for EMD 1214063 and EMD 1204831 were 0.003 �M and 0.009 �M, respectively. For Y1349, the EC50 values were 0.011 �M and 0.005 �M for EMD 1214063 and EMD 1204831, respectively. While a dose-dependent reduction in the levels of c-Met phosphorylation could be observed upon exposure to both compounds, the levels of total c-Met remained unchanged (C). Data are cumulative of three independent experiments.&lt;/p&gt;
Correction: Conformational features of 4-(N)-squalenoyl-gemcitabine in solution: a combined NMR and molecular dynamics investigation (2015)

Correction for ‘Conformational features of 4-(<italic>N</italic>)-squalenoyl-gemcitabine in solution: a combined NMR and molecular dynamics investigation’ by Ceruti Maurizio <italic>et al.</italic>, <italic>New J. Chem.</italic>, 2015, <bold>39</bold>, 3484–3496.
Holographic Design of Light in the Volume of Photonic Crystals (2014)

We develop holographic methods to generate arbitrarily-shaped light intensity distributions inside photonic crystals slabs, through shaping the electromagnetic field launched at the facets of the crystal. The technique can be generalized to any photonic structure.
Formation and Recognition Properties of Dynamic Combinatorial Libraries (2005)

This chapter contains sections titled: Introduction Covalent Interactions Used in DCC Design Acyl Hydrazone and Imine Exchange Transesterification Disulfides Olefin Metathesis Noncovalent Interactions Used in DCC Design Metal Ligand Coordination Hydrogen Bonding Conformational/Configurational Isomerization Receptor-based Screening, Selection, and Amplification Conclusions Acknowledgment References
PREPARATION AND REACTION OF SEVERAL DELOCALIZED DICARBANIONS. (1982)

The literature on preparation and oxidation of carbanions is reviewed. Attempted preparation of many new carbanions, using Lochmann's base (potassium t-butoxide/n-butyllithium), is described; dianions 59, 76, and 85 were prepared for the first time. Preparation of 85, calculated to have the least delocalization energy of all six-carbon acyclic carbanions, completes the series of six-carbon acyclic dianions. Reaction of these and three other dicarbanions (o-48, m-58, and p-58) with dihalides and oxidizing agents were investigated. The shortest routes to certain {n}- and {n,n}-cyclophanes resulted. Good yields were obtained of {9}- and -metacyclophane. Several {n}-2,6-pyridinophanes were synthesized from dianion 59. {6,6}- and {7,7}-metacyclophane and {5,5}-, {7,7}-, and {9,9}- orthocyclophane were synthesized for the first time.
Advances in vehicular communications networks [Guest Editorial (2010)

The articles in this special issue focus on advances in vehicular communications networks. The first four deal with the refinement of several different important mechanisms in vehicular communication protocols, with the aim of controlling and reducing the overall network offered load, while guaranteeing a good level of accuracy, efficiency, and security. The last article proposes a system architecture, called VISIONS, that makes use of the 3G network to disseminate control information. The control information helps routing protocols improve their route selections.
Development of molecular resists based on Phenyl[4]calixarene derivatives. (2010)

We have developed negative-tone molecular resist based on C-4-cyclohexylphenylcalix[4]resorcinarene(MGR108) and positive-tone molecular resist based on protected C-4-isopropylphenylcalix[4]resorcinarene (MGR104P). Both MGR108 and MGR104P showed high solubility in both conventional resist solvents such as propylene glycol monomethyl ether and conventional alkaline developer of 0.26N TMAHaq. In this paper, we show current performance of resists by EB lithography (EBL) and EUV lithography (EUVL).
Compensation of temporal and spatial dispersion for multi-photon acousto-optic laser-scanning microscopy (2003)

In laser-scanning microscopy, acousto-optic (AO) deflection provides a means to quickly position a laser beam to random locations throughout the field-of-view. Compared to conventional laser-scanning using galvanometer-driven mirrors, this approach increases the frame rate and signal-to-noise ratio, and reduces time spent illuminating sites of no interest. However, random-access AO scanning has not yet been combined with multi-photon microscopy, primarily because the femtosecond laser pulses employed are subject to significant amounts of both spatial and temporal dispersion upon propagation through common AO materials. Left uncompensated, spatial dispersion reduces the microscope's spatial resolution while temporal dispersion reduces the multi-photon excitation efficacy. In previous work, we have demonstrated, 1) the efficacy of a single diffraction grating scheme which reduces the spatial dispersion at least 3-fold throughout the field-of-view, and 2) the use of a novel stacked-prism pre-chirper for compensating the temporal dispersion of a pair of AODs using a shorter mechanical path length (2-4X) than standard prism-pair arrangements. In this work, we demonstrate for the first time the use of these compensation approaches with a custom-made large-area slow-shear TeO2 AOD specifically suited for the development of a high-resolution 2-D random-access AO scanning multi-photon laser-scanning microscope (AO-MPLSM).
Fabrication of inverted planar perovskite solar cells using the iodine/ethanol solution method for copper iodide as a hole transport layer (2023)

Abstract Copper iodide (CuI) is under extensive research due to its low cost, easy fabrication process, and wide bandgap. This research includes the fabrication of perovskite solar cells using the p–i–n structure (inverted structure) with a focus on the hole transport layer (HTL) layer. In this paper, we demonstrate the applicability of using CuI as a HTL in perovskite solar cells using the iodine/ethanol solution method. Using the iodine/ethanol solution for preparing the CuI, a power conversion efficiency of 0.76%, a short-circuit current density of 4.56 mA cm −2 , an open-circuit voltage of 0.494 V as well as a fill factor of 0.34 were obtained. The overall performance of the solar cell still requires much improvement. We have successfully deposited the CuI using RF magnetron sputtering and the iodine/ethanol solution method and understand that the low performance of the device is mainly due to the voids and gaps present within the CuI layer.
Abstract P5-01-07: Fidelity of FDG-PET in breast cancer: Reproducibility at multiple sites (2015)

Abstract Introduction Breast cancer is a common, treatable malignancy, with frequent metastasis to bone. Patients with bone-dominant disease are often excluded from clinical trials due to a lack of RECIST "measurable" disease. FDG-PET can help quantitatively measure multiple tumor sites, and assay disease activity in bone. However, the reproducibility of FDG-PET at multiple sites is unproven. We sought to pilot alignment of clinical protocols prior to imaging, phantom testing and then repeat patient scans, in patients undergoing clinical FDG-PET to test the fidelity of quantitative FDG-PET imaging. Methods After determination and alignment of clinical protocols, and serial successful phantom imaging, ten female patients with metastatic breast cancer underwent paired FDG-PET/CT test-retest studies with no more than 15 days between scans and without interim change in treatment. Seven patients were studied in the same scanner and 3 patients were studied in 2 different scanners in our clinical network. Each PET/CT scanner’s quantitative performance was monitored with NIST-traceable reference sources to ensure proper calibration. Images were interpreted and SUV metrics were estimated at a central lab. Linear mixed models with a random intercept were fitted to compare test-retest differences in multiple lesions per patient. Results SUVmax was assessed in a total of 68 lesions (52 bone, 16 other sites). Average SUVmax ranged from 2.3 to 18.2 (mean±SD = 5.7±2.6) per patient. The median SUVmax difference was 0.25 (5%) for 35 lesions imaged twice in the same scanner, and was 0.01 (0.2%) for 33 lesions imaged in two different scanners. In a linear mixed-effects model with random patient effects, there was no difference in average percentage SUV difference for the same scanner versus different scanners (p=0.70). In the same model, the absolute percentage difference in SUVmax for bone lesions was estimated as 6 percentage points lower than for other sites (p=0.002, 95% confidence interval 2%-10%). Conclusions If PET/CT systems are carefully calibrated, and imaging protocols are consistent, then variability associated with FDG SUVmax between scans is similar to prior test-retest studies. Bone lesions appear to have tighter reproducibility than soft tissue lesions. Clinical trials that utilize quantitative PET/CT imaging throughout a network of calibrated PET/CT scanners could increase patient recruitment and improve confidence in trial results. Accrual is ongoing and results will be updated. Research support Supported by NIH grant U01-CA148131 and NCI-SAIC Contract 24XS036-004. Citation Format: Hannah M Linden, Jennifer Specht, Lanell Peterson, Brenda Kurland, Andrew Shields, Darrin Byrd, Alena Novakova, Rebecca Christofel, Mark Muzi, David Mankoff, Kinahan Paul. Fidelity of FDG-PET in breast cancer: Reproducibility at multiple sites [abstract]. In: Proceedings of the Thirty-Seventh Annual CTRC-AACR San Antonio Breast Cancer Symposium: 2014 Dec 9-13; San Antonio, TX. Philadelphia (PA): AACR; Cancer Res 2015;75(9 Suppl):Abstract nr P5-01-07.
On a Deep Q-Network-based Approach for Active Queue Management (2021)

Reinforcement learning has gone through an enormous evolution in the past ten years. It's practical applicability has been demonstrated through several use cases in various fields from robotics to process automation. In this paper, we examine how the tools of deep Q-learning can be used in an AQM algorithm to reduce queuing delay and ensure good link utilization at the same time. The proposed method called RL-AQM has the advantage that it is less prone to the good parameterization and can automatically adapt to new network conditions. The prototype implementation based on OpenAI Gym and NS-3 network simulator has thoroughly been evaluated under various settings focusing on three aspects: the convergence time of learning process, the performance of pre-trained models compared to PIE AQM and generalization ability. We have demonstrated that RL-AQM achieves comparable utilization to PIE AQM but results in much smaller queueing delays. Finally, the pre-trained models have good generalization abilities, enabling to use a pre-trained model in network settings that differ in bandwidth and/or RTT from the one used during the pre-training phase.
Direct measurements of the stabilization of single-stranded DNA under tension by single-stranded binding proteins (2007)

The unzipping and rezipping of a double-stranded DNA molecule is carried out in the presence of two single-stranded binding proteins T4 gp32 and E. Coli SSB protein to determine the effect of the proteins on the stability of single- and double-stranded DNA. The proteins do not have a significant effect on unzipping, indicating that the two proteins do not destabilize the double-stranded DNA; however, both proteins inhibit rezipping. At protein concentrations where the rezipping force response is saturated, E. Coli SSB protein reduces the rezipping force to 5.5+/-1.5 pN , while T4 gp32 completely blocks rezipping on the time scale of the experiment.
Engineered biosynthesis of novel polyketides: influence of a downstream enzyme on the catalytic specificity of a minimal aromatic polyketide synthase. (1994)

To identify the minimum set of polyketide synthase (PKS) components required for in vivo biosynthesis of aromatic polyketides, combinations of genes encoding subunits of three different aromatic PKSs--act from Streptomyces coelicolor A3(2) (an actinorhodin producer), fren from Streptomyces roseofulvus (a frenolicin and nanaomycin producer), and tcm from Streptomyces glaucescens (a tetracenomycin producer)--were expressed in a recently developed Streptomyces host-vector system. The "minimal" components (ketosynthase/putative acyltransferase, chain length-determining factor, and acyl carrier protein) were produced with and without a functional polyketide ketoreductase and/or cyclase, and the polyketide products of these recombinant strains were structurally characterized. Several previously identified polyketides were isolated in addition to two previously unidentified polyketides, dehydromutactin and SEK 15b, described here. The results proved that the act cyclase is not required for the biosynthesis of several aberrantly cyclized products that have been previously reported. They are also consistent with earlier conclusions that the minimal PKS controls chain length as well as the regiospecificity of the first cyclization and that it can do so in the absence of both a ketoreductase and a cyclase. However, the ability of the minimal tcm PKS to synthesize two different singly cyclized intermediates suggests that it is unable to accurately control the course of this reaction by itself. In the presence of a downstream enzyme, the flux through one branch of the cyclization pathway increases relative to the other. We propose that these alternative specificities may be due to the ability of downstream enzymes to associate with the minimal PKS and to selectively inhibit a particular branch of the cyclization pathway.
Organic low molecular weight aerogel formed in supercritical fluids (2000)

Aerogels of 2,3-didecyloxyanthracene (DDOA) are prepared from supercritical fluids in two different ways. In the first, the gel is formed by mixing DDOA and ethanol, and dried by flushing with supercritical CO2. This process produces a white, light and friable aerogel (density of 6×10−3 g cm−3), constituted of fibers with diameters ranging from 100 to 200 nm. In the second, DDOA is solubilized in supercritical CO2 to give a gel which is dried under the same experimental conditions. The resulting very low density aerogel (2×10−3 g cm−3), has a specific surface equal to 10 m2 g−1, and constitutes a network of long fibers with diameters varying from 100 to 200 nm.
Police executives’ and managers’ perspectives on Compstat* (2016)

Developed and implemented by the New York City Police Department, Compstat is a managerial accountability system developed to identify and solve crime problems. It has been adopted police departments throughout the world. This manuscript compares the attitudes of police chiefs with those of other ranks of police administrators through the use of a survey conducted by the Police Executive Research Forum. We replicated the study and surveyed graduates of the Administrative Officer’s Course at the Southern Police Institute. The findings suggest that the views of PERF chiefs and AOC graduates are diverse and that some of the fundamental Compstat practices could be changed to better accomplish their purpose. While the AOC graduates were in agreement with the PERF chiefs with the basic principles of Compstat such as purpose, meeting formats, diagnosis of crime issues, and the operational responses, conflicting views were identified pertaining to communications, a demeaning atmosphere in the Compstat briefings, accountability, and a focus primarily aimed at short term solutions.
Nanoscale Architecture of Endoplasmic Reticulum Export Sites and of Golgi Membranes as Determined by (2008)

Modern architecture is guided by the axiom ‘‘form follows function,’’ which emphasizes the need for the shape of a building or an object to reflect its intended function or purpose. Biologists tend to prefer the phrase ‘‘form begets function,’’ because in living organisms, form not only reflects on function but also defines many functional attributes. This relationship between biological structure and function explains why one of the central goals of 21st century cell biologists is to provide a seamless link of structural understanding between the macroscopic level of tissue organization to the molecular and even atomic level organization of the building blocks of cells and tissues. In turn, this structural knowledge provides architectural constraints for developing testable hypotheses for how macromolecular complexes, organelles, cells, and organs operate on a functional level. The goal of this Update is to summarize new information on the three-dimensional (3D) architecture of the membrane systems of the secretory pathway of plant cells produced by dual-axis electron tomography of cells preserved by high-pressure freezing/freeze-substitution techniques. These studies have redefined our understanding of the nanoscale organization of the membranes of endoplasmic reticulum (ER) export sites, Golgi stacks, trans-Golgi network (TGN) cisternae, and associated vesicles and scaffolds, and by doing so have led to many new insights into the functional organization of these membrane systems. In addition, these studies have created a bridge between live cell imaging by confocal microscopy on one hand and biochemical and molecular investigations on the other.
Bismuth Enhances the Stability of CH3NH3PbI3 (MAPI) Perovskite under High Humidity (2018)

Methylammonium lead iodide (CH3NH3PbI3, MAPI) is a high-performance solar cell material but lacks stability in the presence of humidity. Addition of a few percent bismuth (Bi) as a trivalent cation substitute for Pb (i.e., MAP(Bi)I) leads to enhanced stability under high (90%) relative humidity (RH). At moderate humidity (60% RH), however, MAP(Bi)I degrades more rapidly than MAPI. Bi incorporation into MAPI either stabilizes or destabilizes the two hydration products, MAPI·H2O and PbI2, depending on the amount of humidity in the environment.
The Heterogeneous Reaction of Ozone on Carbonaceous Surfaces (1986)

Abstract Ozone, O 3 , reacts with a carbon sample at room temperature. Clean carbon samples show a half to one and a half order of magnitude increased initial rate constant ( k 0 ) for O 3 loss relative to repetitively exposed carbon samples. The ozone loss rate and therefore the rate constant reaches steady state ( k ss ) on the time scale of tens of minutes, upon exposure to a characteristic dose of 8 × 10 17 molecules for a 30‐mg carbon sample independent of the flow rate. This characteristic dose closely corresponds to a monolayer of adsorbed ozone molecules on the carbon sample. Both k 0 and k ss decrease with increasing flow rate of O 3 into the reactor, and the loss rate is found to depend on [O 3 ]. When the loss rate is plotted against the steady state concentration of O 3 , a saturation plot results which is proportional to the surface coverage, θ, at a given [O 3 ].This interpretation rests upon a Langmuir type kinetics model with an assumed first‐order dependence of the loss rate constant. The “sticking coefficients” track the rate constants and are on the order of 10 −3 to 10 −5 depending on the carbon sample, dose, and flow rate. Furthermore, k o depends on the length of the dark period (absence of O 3 exposure) and is larger the longer time the sample has had to recuperate from previous O 3 exposures up to a period of 150 s. This surface relaxation is thought of as a time‐dependent change in surface coverage taking place in the dark period and is therefore an indication of a slow surface diffusion/reaction that can be separated from the adsorption‐desorption kinetics. The mass balance shows that for every ozone molecule that is lost on the surface, an oxygen molecule is found. This adsorbed odd oxygen is then responsible for product formation, which comprises the volatile components CO and CO 2 to an extent of 20 to 40% of the odd oxygen deposited on the surface. The difference is thought to be in a preoxidized state on the carbon sample, which evolves CO and CO 2 upon heat treatment.
Midinfrared FT-IR as a Tool for Monitoring Herbaceous Biomass Composition and Its Conversion to Furfural (2015)

A semiquantitative analysis by means of midinfrared FT-IR spectroscopy was tuned for the simultaneous determination of cellulose, hemicellulose, and lignin in industrial crops such as giant reed ( Arundo donax L.) and switchgrass ( Panicum virgatum L.). Ternary mixtures of pure cellulose, hemicellulose, and lignin were prepared and a direct correlation area/concentration was achieved for cellulose and lignin, whereas indirect correlations were found for hemicellulose quantification. Good correspondences between the values derived from our model and those reported in the literature or obtained according to the official Van Soest method were ascertained. Average contents of 40–45% of cellulose, 20–25% of hemicellulose, and 20–25% of lignin were obtained for different samples of giant reed species. In the case of switchgrass, a content of 36% of cellulose, 28% of hemicellulose, and 26% of lignin was achieved. This analysis was also carried out on giant reed and switchgrass residues after a mild hydrolysis step carried out with dilute hydrochloric acid for the production of furfural with good yield. Reasonable compositional data were obtained, thus allowing an indirect monitoring which helps the optimization of the hydrothermal pretreatment for furfural production from hemicellulose fractions.