gebhart/patrepeval huggingface dataset:
Microstructure and conductivity of hierarchical laminate composites (1996)

Certain hierarchical laminates with a wide separation of length scales are known theoretically to have optimal transport and mechanical properties. We derive analytical expressions for the $n$-point probability functions that statistically characterize the microstructure for more general hierarchical laminates with an arbitrary number of stages and a finite separation of length scales. Using two-point probability information, we rigorously bound the effective conductivity (or dielectric constant) tensor for macroscopically anisotropic laminates and study how the separation of length scales affects the effective properties.
New algorithms for content-based publication-subscription systems (2004)

This paper introduces new algorithms specifically designed for content-based publication-subscription systems. These algorithms can be used to determine multicast groups with as much commonality as possible, based on the totality of subscribers' interests. The algorithms are based oil concepts borrowed from the literature on spatial databases and clustering. These algorithms perform well in the context of highly heterogeneous subscriptions, and they also scale well. Based on concepts borrowed from the spatial database literature, we develop an algorithm to match publications to subscribers in real-time. We also investigate the benefits of dynamically determining whether to unicast, multicast or broadcast information about the events over the network to the matched subscribers. We call this the distribution method problem. Some of these same concepts can be applied to match publications to subscribers in real-time, and also to determine dynamically whether to unicast, multicast or broadcast information about the events over the network to the matched subscribers. We demonstrate the quality of our algorithms via a number of realistic simulation experiments.
Experimental determination of the shear rate in a stirred tank with a non‐newtonian fluid: Carbopol (2012)

The local shear rate generated in a cylindrical tank equipped with a Rushton turbine was investigated using particle image velocimetry in a shear‐thinning fluid (Carbopol). This non‐Newtonian fluid was used in an attempt to mimic fermentation broths. Three Reynolds numbers corresponding to the transition regime were investigated. The hydrodynamics is analyzed, and the velocity field is decomposed by proper orthogonal decomposition into mean flow, organized motion, and turbulence. Then, the contributions of each flow structure to the total dissipation of kinetic energy are presented. The spatial heterogeneity of shear rate is discussed and a new expression is proposed for shear rate. This work shows that the local shear rate is highly heterogeneous in a tank. Future works will need to focus on other types of stirrer and investigate the effect of scaling up reactors on the shear rate heterogeneity. © 2012 American Institute of Chemical Engineers AIChE J, 59: 2251–2266, 2013
Photonic band gap in isotropic hyperuniform disordered solids with low dielectric contrast (2013)

We report the first experimental demonstration of a TE-polarization photonic band gap (PBG) in a 2D isotropic hyperuniform disordered solid (HUDS) made of dielectric media with a dielectric index contrast of 1.6:1, very low for PBG formation. The solid is composed of a connected network of dielectric walls enclosing air-filled cells. Direct comparison with photonic crystals and quasicrystals permitted us to investigate band-gap properties as a function of increasing rotational isotropy. We present results from numerical simulations proving that the PBG observed experimentally for HUDS at low index contrast has zero density of states. The PBG is associated with the energy difference between complementary resonant modes above and below the gap, with the field predominantly concentrated in the air or in the dielectric. The intrinsic isotropy of HUDS may offer unprecedented flexibilities and freedom in applications (i. e. defect architecture design) not limited by crystalline symmetries.
Susceptibility of human and murine Chlamydia trachomatis serovars to granulocyte‐ and epithelium‐derived antimicrobial peptides (2003)

Four antimicrobial peptides, protegrin-1, RTD-1, cryptdin-4, and indolicidin, were tested for their ability to inhibit the in vitro growth of Chlamydia trachomatis serovars E, L2, and mouse pneumonitis (MoPn). In general, protegrin-1 was found to have the strongest anti-chlamydial activity. Overall, of the three serovars tested, L2 was the most susceptible while MoPn was the most resistant to these peptides.
Investigation of the Mechanism of Colloidal Silicalite‐1 Crystallization by Using DLS, SAXS, and 29Si NMR Spectroscopy (2010)

Colloidal silicalite-1 zeolite was crystallized from a concentrated clear sol prepared from tetraethylorthosilicate (TEOS) and aqueous tetrapropylammonium hydroxide (TPAOH) solution at 95 degrees C. The silicate speciation was monitored by using dynamic light scattering (DLS), synchrotron small-angle X-ray scattering (SAXS), and quantitative liquid-state (29)Si NMR spectroscopy. The silicon atoms were present in dissolved oligomers, two discrete nanoparticle populations approximately 2 and 6 nm in size, and crystals. On the basis of new insight into the evolution of the different nanoparticle populations and of the silicate connectivity in the nanoparticles, a refined crystallization mechanism was derived. Upon combining the reagents, different types of nanoparticles (ca. 2 nm) are formed. A fraction of these nanoparticles with the least condensed silicate structure does not participate in the crystallization process. After completion of the crystallization, they represent the residual silicon atoms. Nanoparticles with a more condensed silicate network grow until approximately 6 nm and evolve into building blocks for nucleation and growth of the silicalite-1 crystals. The silicate network connectivity of nanoparticles suitable for nucleation and growth increasingly resembles that of the final zeolite. This new insight into the two classes of nanoparticles will be useful to tune the syntheses of silicalite-1 for maximum yield.
Supplementary Data from Targeting CD73 with AB680 (Quemliclustat), a Novel and Potent Small-Molecule CD73 Inhibitor, Restores Immune Functionality and Facilitates Antitumor Immunity (2023)

Supplementary Data from Targeting CD73 with AB680 (Quemliclustat), a Novel and Potent Small-Molecule CD73 Inhibitor, Restores Immune Functionality and Facilitates Antitumor Immunity
Reduction of the Nonspecific Animal Toxicity of Anti-Tac(Fv)-PE38 by Mutations in the Framework Regions of the Fv Which Lower the Isoelectric Point (1999)

Anti-Tac(Fv)-PE38, also called LMB-2, is a very active recombinant immunotoxin that has produced eight responses, including a durable clinical complete remission in a recently completed phase I trial of leukemias and lymphomas. Dose escalation was limited by liver toxicity. We have noted that the Fv of anti-Tac has an isoelectric point (pI) of 10.2. We hypothesize that the overall positive charge on the Fv portion of anti-Tac(Fv)-PE38 contributes to nonspecific binding to liver cells and results in dose-limiting liver toxicity. We have used a mouse model to investigate the basis of this toxicity and found that lowering the pI of the Fv of anti-Tac from 10.2 to 6. 82 by selective mutation of surface residues causes a 3-fold decrease in animal toxicity and hepatic necrosis. This change in pI did not significantly alter the CD25 binding affinity, the cytotoxic activity toward target cells, or antitumor activity, resulting in a 3-fold improvement in the therapeutic index. If this decreased toxicity occurs in humans, it should greatly increase the clinical utility of this immunotoxin.
Human CD30: Structural implications from epitope mapping and modeling studies (2003)

The human CD30 molecule is expressed transiently at very low levels on intrafollicular and perifollicular T and B cell blasts in lymphoid tissues, but is specifically upregulated on certain tumor cells, e.g. Hodgkin and Reed-Sternberg (H-RS) cells. With its specific expression pattern and easy accessibility on the surface of H-RS cells CD30 is a valuable diagnostic marker and holds considerable promise as a target for in vivo immunotherapy. Knowledge of epitopes on the CD30 molecule is expected to facilitate the design of novel non-immunogenic anti-CD30 reagents. Therefore, we have mapped the epitopes of several monoclonal antibodies (mAb) applying a peptide array of overlapping CD30-derived peptides. For the mAb Ber-H2, two linear epitopes with identical sequence were found, while the mAb Ki-2 and the single chain Fv fragment R4-4 each recognized a single linear antigenic determinant, respectively. On the other hand, the mAb Ki-1 bound to a discontinuous epitope composed of two regions, one located near the N-terminus and the other near the membrane-spanning region of CD30. Using molecular modeling, it was possible to visualize the location of the epitopes on exposed loop regions of the molecule within the N-terminal domain. Finally, the results obtained with the mAb Ki-1 imply that the ends of the N- and C-terminal parts of the extracellular portion of CD30 are in close vicinity of each other, suggesting a flower-like structure for the membrane-bound homotrimeric CD30 molecule.
ChemInform Abstract: Nanoskiving: A New Method to Produce Arrays of Nanostructures (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.
Intrathecal delivery of a palmitoylated peptide targeting Y382-384 within the P2X7 receptor alleviates neuropathic pain (2018)

Pain hypersensitivity resulting from peripheral nerve injury depends on pathological microglial activation in the dorsal horn of the spinal cord. This microglial activity is critically modulated by P2X7 receptors (P2X7R) and ATP stimulation of these receptors produces mechanical allodynia, a defining feature of neuropathic pain. Peripheral nerve injury increases P2X7R expression and potentiates its cation channel function in spinal microglia. Here, we report a means to preferentially block the potentiation of P2X7R function by delivering a membrane permeant small interfering peptide that targets Y<sub>382-384</sub>, a putative tyrosine phosphorylation site within the P2X7R intracellular C-terminal domain. Intrathecal administration of this palmitoylated peptide (P2X7R<sub>379-389</sub>) transiently reversed mechanical allodynia caused by peripheral nerve injury in both male and female rats. Furthermore, targeting Y<sub>382-384</sub> suppressed P2X7R-mediated release of cytokine tumor necrosis factor alpha and blocked the adoptive transfer of mechanical allodynia caused by intrathecal injection of P2X7R-stimulated microglia. Thus, Y<sub>382-384</sub> site-specific modulation of P2X7R is an important microglial mechanism in neuropathic pain.
Rational Design of an Iron‐Based Catalyst for Suzuki–Miyaura Cross‐Couplings Involving Heteroaromatic Boronic Esters and Tertiary Alkyl Electrophiles (2020)

Suzuki-Miyaura cross-coupling reactions between a variety of alkyl halides and unactivated aryl boronic esters using a rationally designed iron-based catalyst supported by β-diketiminate ligands are described. High catalyst activity resulted in a broad substrate scope that included tertiary alkyl halides and heteroaromatic boronic esters. Mechanistic experiments revealed that the iron-based catalyst benefited from the propensity for β-diketiminate ligands to support low-coordinate and highly reducing iron amide intermediates, which are very efficient for effecting the transmetalation step required for the Suzuki-Miyaura cross-coupling reaction.
Serological Surveillance of Influenza D Virus in Ruminants and Swine in West and East Africa, 2017–2020 (2021)

Influenza D virus (IDV) was first isolated in 2011 in Oklahoma, USA from pigs presenting with influenza-like symptoms. IDV is known to mainly circulate in ruminants, especially cattle. In Africa, there is limited information on the epidemiology of IDV, although the virus has likely circulated in the region since 2012. In the present study, we investigated the seropositivity of IDV among domestic ruminants and swine in West and East Africa from 2017 to 2020. Serum samples were analyzed using the hemagglutination inhibition (HI) assay. Our study demonstrated that IDV is still circulating in Africa, with variations in seropositivity among countries and species. The highest seropositivity was detected in cattle (3.9 to 20.9%). Our data highlights a need for extensive surveillance of IDV in Africa in order to better understand the epidemiology of the virus in the region.
Perspective: Daniela Novick, cytokines and their receptors (2023)

This Perspective highlights the work of Dr. Daniela Novick in the field of cytokine biology. Using affinity chromatography to characterize cytokine-binding proteins, she identified soluble forms of the receptors as well as binding proteins for several cytokines, including tumor necrosis factor, interleukin (IL) 6, IL-18 and IL-32. Importantly, her work has been key in the development of monoclonal antibodies against interferons and cytokines. This Perspective discusses her contribution to the field and highlights her recent review on this topic.
Synthesis and Characterization of New Donor-Acceptor Type Copolymers Based on Fluorene Derivatives for Photovoltaic Solar Cells (2012)

In this paper, we demonstrated the successful synthesis of newly designed copolymers, C1 and C2, with donor-acceptor type structure. Both C1 and C2 copolymers contained 9,9-dioctylfluorene-2,7-bis(trimethyleneboronate) as one constructional unit to improve the solubility in common organic solvents. The other constructional unit was 2,3-bis(5-bromothiophen-2-yl)acrylonitrile (DTDBAL) for C1, while 4,7-dibromobenzo[c][1,2,5]thiadiazole unit, 5,5'-dibromo-2,2'-bithiophene unit and N1, N1-bis(4-bromophenyl)-N4,N4-bis(4-(2-phenylpropan-2-yl)phenyl)benzene-1,4-diamine are for C2. We fabricated photovoltaic devices based on the C1 and the C2 copolymers with Poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) layer, PC70BM layer, TiOx layer, and aluminum (Al) electrode. The bulk heterojuntion photovoltaic devices using these copolymers as electron donor and PC70BM as the acceptor exhibited good device performances when measured at 100 mW cm-2. The power conversion efficiency (PCE) of the C1 device reached 0.45% with Voc, Jsc and FF of 0.51, 2.50 and 35%, respectively. The PCE of the C2 device reached 0.34% with Voc, Jsc, and FF of 0.56, 2.01 and 30%, respectively.
Structure of tris(2,4,6-trimethoxyphenyl)phosphine. Resolution of space-group ambiguity by solid-state NMR (1992)

C 27 H 33 O 9 P, Pn, a=8.0903, b=24.865, c=13.442 A, β=96.79°, R=0.036. There are two molecules in the asymmetric unit, which have the characteristic propeller shape of triarylphosphines
Investigating the Complex Chemistry of Functional Energy Storage Systems: The Need for an Integrative, Multiscale (Molecular to Mesoscale) Perspective (2016)

Electric energy storage systems such as batteries can significantly impact society in a variety of ways, including facilitating the widespread deployment of portable electronic devices, enabling the use of renewable energy generation for local off grid situations and providing the basis of highly efficient power grids integrated with energy production, large stationary batteries, and the excess capacity from electric vehicles. A critical challenge for electric energy storage is understanding the basic science associated with the gap between the usable output of energy storage systems and their theoretical energy contents. The goal of overcoming this inefficiency is to achieve more useful work (w) and minimize the generation of waste heat (q). Minimization of inefficiency can be approached at the macro level, where bulk parameters are identified and manipulated, with optimization as an ultimate goal. However, such a strategy may not provide insight toward the complexities of electric energy storage, especially the inherent heterogeneity of ion and electron flux contributing to the local resistances at numerous interfaces found at several scale lengths within a battery. Thus, the ability to predict and ultimately tune these complex systems to specific applications, both current and future, demands not just parametrization at the bulk scale but rather specific experimentation and understanding over multiple length scales within the same battery system, from the molecular scale to the mesoscale. Herein, we provide a case study examining the insights and implications from multiscale investigations of a prospective battery material, Fe3O4.
Exploiting locality in a TMS (1990)

This paper presents a new approach for exploiting Truth Maintenance Systems(TMSs) which makes them simpler to use without necessarily incurring a substantial performance penalty. The basic intuition behind this approach is to convey the locality of the knowledge representation of the problem solver to the TMS. The TMS then uses this locality information to control and restrict its inferences. The new TMSs accept arbitrary propositional formulae as input and use general Boolean Constraint Propagation(BCP) to answer queries about whether a particular literal follows from the formulae. Our TMS exploits the observation that if the set of propositional formulae are converted to their prime implicates, then BCP is both efficient and logically complete. This observation allows the problem solver to influence the degree of completeness of the TMS by controlling how many implicates are constructed. This control is exerted by using the locality in the original task to guide which combinations of formulae should be reduced to their prime implicates. This approach has been implemented and tested both within Assumption-Based Truth Maintenance Systems and Logic-Based Truth Maintenance Systems.
On the infinite width limit of neural networks with a standard\n parameterization (2020)

There are currently two parameterizations used to derive fixed kernels\ncorresponding to infinite width neural networks, the NTK (Neural Tangent\nKernel) parameterization and the naive standard parameterization. However, the\nextrapolation of both of these parameterizations to infinite width is\nproblematic. The standard parameterization leads to a divergent neural tangent\nkernel while the NTK parameterization fails to capture crucial aspects of\nfinite width networks such as: the dependence of training dynamics on relative\nlayer widths, the relative training dynamics of weights and biases, and overall\nlearning rate scale. Here we propose an improved extrapolation of the standard\nparameterization that preserves all of these properties as width is taken to\ninfinity and yields a well-defined neural tangent kernel. We show\nexperimentally that the resulting kernels typically achieve similar accuracy to\nthose resulting from an NTK parameterization, but with better correspondence to\nthe parameterization of typical finite width networks. Additionally, with\ncareful tuning of width parameters, the improved standard parameterization\nkernels can outperform those stemming from an NTK parameterization. We release\ncode implementing this improved standard parameterization as part of the Neural\nTangents library at https://github.com/google/neural-tangents.\n
Carba-Hantzsch Synthesis of Cyclohexadiene- and Biphenylcarboxylic Esters (1998)

biphenyls - isoelectronic analogs - Michael/Wittig tandem reaction - carba-Hantzsch - cyclohexadienes
3D Angiography (1999)

To evaluate the interest of 3D angiography in the diagnosis, treatment and follow-up of aneurysms with special regard with endovascular GDC treatment. Spin angiography with 44 subtracted views (512×512 image matrix) is first acquired with a rotation of a C-arm through 200 degrees at 40° per second in an angiographic room prototype LCV+ single plane (GEMS). 3D reconstruction ART (Algebraic Reconstruction Technique) is automatically applied and interactive visualisation of the 3D angiography is available on a workstation (UltraSparc 2, Sun microsystems) 10 minutes after the spin angiography acquisition. 3D angiography is displayed in MIP, surface rendering and endovascular views (virtual angioscopy). 52 2D and 3D angiographies were performed in 40 patients with 49 intracranial aneurysms whith the same protocol of acquisition (AP, lateral and spin angiography). Each 3D angiography (MIP and surface rendering) was analysed by 2 senior radiologists and compared with the corresponding 2D angiographies (AP, lateral and spin views). Artefacts due to GDC were present in 24 cases, but bothering in only 12 cases. Analysis of the aneurysm was better in MIP than in 2D in 32 cases, equivalent in 18 and worse in 2 due to patient movements during acquisition. Surface rendering gave additional information in 29 cases. The impact was judged important for decision making or choice of treatment in 25 cases. 3D angiography improves the analysis of the aneurysms, gives crucial information to make the decision for treatment and is now routinely used in our institution for the diagnosis of intracranial aneurysms and follow-up after GDC treatment.
Quasiperiodicity and the nanoscopic morphology of some polyurethanes (2015)

When straining polyurethane elastomers (PUEs), it is often observed that the long-period peak of the small-angle X-ray scattering (SAXS) does not shift normally. An explanation is indicated for some PUEs in the real-space chord distribution. It exhibits a sequence of constant long-period bands. The band positions form a Fibonacci sequence. This relates to the underlying chemical synthesis by polyaddition of hard and soft modules, indicating a nearly quasiperiodic setup in sequences of stringed hard domains. These sequences appear to be the probes provided by SAXS for the study of morphology evolution in such PUEs. Should a regular-as-possible arrangement of physical crosslinks optimize a property of the material, then in the synthesis the mole fraction n H of hard modules should be chosen to be n H = τ/(1 + τ) ≃ 0.62, where τ is the golden ratio.
Improved imaging through human tissue using compensated transillumination (1998)

Summary form only given. A simple and robust approach to improving image uniformity for transillumination is to surround the imaged tissue with a medium of matching scattering and absorption properties. In this manner, a uniform transillumination image is obtained and the maximum dynamic range is available to examine variations a thin the tissue. When the match between the tissue and immersion medium is good, the human tissue will almost disappear, and the image will only show contrast due to small variations within the tissue. Thus the image shows contrast due to internal variations, which is what one wants, rather than due to tissue contours. A mixture of Ropaque and methylene blue dye are used as a matching immersion medium. Ropaque consists of a suspension of hollow polymer spheres in water. A frequency domain technique is used to measure the absorption and scattering properties of a human hand in vivo and to match the properties of the medium to the hand. With this method, one can independently determine the amount mismatch in absorption and scatter coefficients between the medium and tissue. When the match is good, there is very little difference in optical transmission between tissue and the matching medium; the authors found an RF amplitude decrease of 4% and a phase variation of -0.4 degrees when a fingertip was inserted between the optical fiber bundles in the matching medium. Details of determining the match are reported elsewhere.