gebhart/patrepeval huggingface dataset:
Elucidating the LiFePO4 air aging mechanism to predict its electrochemical performance (2011)

Although LiFePO4-based chemistry has been extensively studied and developed in the last decade due to its promise for the next generation of Li-ion battery applications, the impact of ambient air exposure and the concomitant aging mechanism is still a controversial matter. In the present study, we describe quantitatively the aging process in terms of the successive phase formation, distribution and iron local environments. Formation and growth of a disordered ferric phosphate phase are directly observed for the first time from the surface of particles toward the core, preceding the crystallization of tavorite LiFePO4(OH) as observed through the combination of amorphous phase quantification by XRD, and by Mössbauer and Electron Energy Loss spectroscopies. Structural and electrochemical characterization prove that the amorphous ferric phosphate formed in the early aging stage exhibits already tavorite composition and structure at the local scale and shed light on a crucial step of the aging mechanism. Based on the correlation we establish here between the amounts of Fe(III) and hydroxyls groups present in aged samples and specific capacity of the corresponding electrodes, we show that the degradation of active material upon storage and the electrochemical performance can be predicted easily through simple TGA measurements.
Dramatic Enhancement of Enone Epoxidation Rates in Nonionic Microemulsions (2006)

The ability of microemulsions to dissolve polar and non-polar components with a huge internal interface can overcome the reagent incompatibilities frequently encountered in organic reactions. We investigated model epoxidation reactions of alpha,beta-unsaturated enones and alkaline hydrogen peroxide in different nonionic microemulsions, both in the presence and absence of a phase-transfer agent (PTA). The obtained reaction profiles were compared with those for the corresponding surfactant-free two-phase systems. In addition, we defined a time constant tau as a measure for the rate of turnover. The epoxidation of trans-chalcone using an n-alkyl-polyoxyethylene surfactant based microemulsion was fastest in the system with the PTA (tau=66 min) and slightly slower without the PTA (tau=77 min). It was still slower in the two-phase system with a PTA (tau=114 min) and extremely sluggish without a phase-transfer agent. With n-alkyl beta-D-glucopyranoside as the surfactant the conversion was twice as fast than in the former microemulsion systems, but the PTA did not accelerate the reaction further (tau=35 and 33 min). The epoxidation of vitamin K(3), the second model system, was extremely accelerated. It proceeded a factor of approximately 35 faster in the microemulsion (tau=1.44 min) than in the corresponding two-phase system (tau=57 min).
Optimization of real conjunctive queries (1993)

The optimization problem for conjunctive queries has been studied extensively. Unfortunately, this research almost invariably assumes set-theoretic semantics (i.e., duplicates are eliminated). In contrast, SQL queries have bag-theoretic semantics (i.e., in general duplicates are not eliminated). In this paper we study the optimization problems for conjunct ive queries under bagtheoretic semantics. We show that optimization techniques from the set-theoretic setting do not carry over to the bag-theoretic setting.
3D Pipe Network Reconstruction Based on Structure from Motion with Incremental Conic Shape Detection and Cylindrical Constraint (2020)

Pipe inspection is a critical task for many industries and infrastructure of a city. The 3D information of a pipe can be used for revealing the deformation of the pipe surface and position of the camera during the inspection. In this paper, we propose a 3D pipe reconstruction system using sequential images captured by a monocular endoscopic camera. Our work extends a state-of-the-art incremental Structure-from-Motion (SfM) method to incorporate prior constraints given by the target shape into bundle adjustment (BA). Using this constraint, we can minimize the scale-drift that is the general problem in SfM. Moreover, our method can reconstruct a pipe network composed of multiple parts including straight pipes, elbows, and tees. In the experiments, we show that the proposed system enables more accurate and robust pipe mapping from a monocular camera in comparison with existing state-of-the-art methods.
Diastereocontrol in Olefin Metathesis: the Development of Z ‐Selective Ruthenium Catalysts (2015)

The recent development of several Z selective ruthenium (Ru) metathesis catalysts is described in this chapter. Their synthesis, decomposition mechanisms, and the effect of each ligand are all discussed along with selected examples of synthetic applications. In general, these catalysts are capable of quantitative Z selectivity in a variety of reactions including cross-metathesis, ring-closing metathesis, and ring-opening metathesis polymerization.
Polycomb-like 2 (Mtf2/Pcl2) Mediated Epigenetic Regulation of Hematopoiesis and Refractory Leukemia (2018)

The Polycomb Repressive Complex 2 (PRC2) epigenetically regulates gene expression by methylating lysine 27 on histone 3 (H3K27me3). While the role of PRC2 core members during hematopoiesis has been elucidated, the role of PRC2 accessory protein, Mtf2, has not been well characterized outside of mouse embryonic stem cells. To investigate the role of Mtf2 in vivo, we created a gene-targeted knockout mouse model. Using this model, we discovered that Mtf2 was a critical regulator of hematopoiesis and its loss within the hematopoietic cells leads to loss of global H3K27me3 levels at the transcriptional start sites (TSS) therefore leading to the overexpression of multiple signalling networks. These findings presented in the first part of my thesis place Mtf2 as a critical regulator of hematopoiesis and expand the role of Mtf2 beyond a canonical accessory PcG protein. While our murine studies revealed that the loss of Mtf2 did not cause leukemia in mice, our studies of MTF2 in human cells demonstrated that MTF2 deficiency within human Hematopoietic Stem and Progenitor Cells (HSPCs) causes a myelo-proliferative phenotype that is reminiscent of pre-leukemia. Furthermore, when we screened MTF2 expression within leukemic stem cell (LSC) enriched CD34+ CD38- cells isolated from primary Acute Myeloid Leukemia (AML) patient samples at diagnosis, we observed that MTF2 is miss-regulated in AML and its loss predicted refractory AML. Using MTF2 knockdown (KD) transcriptomic and ChIP-seq data, we drafted MTF2-PRC2 Gene Regulatory Network (GRN) in human HSPCs and LSC enriched cells. Finally, using the MTF2-PRC2 GRN, we uncovered a direct mechanism by which MTF2 regulates chemoresistance in AML and show that targeting this mechanism via MDM2 inhibitors sensitizes refractory AML to standard induction therapy. These findings presented in second part of my thesis demonstrate MTF2 as a novel prognostic marker for refractory AML and provide a novel therapy that helps target MTF2 deficient refractory AML.
Breaking of a Paradigm: Geology Can Provide 3D Complex Probability Fieldsfor Stochastic Facies Modelling (1999)

Breaking of a Paradigm: Geology Can Provide 3D Complex Probability Fields for Stochastic Facies Modelling Gerard J. Massonnat Gerard J. Massonnat Elf Exploration Production Search for other works by this author on: This Site Google Scholar Paper presented at the SPE Annual Technical Conference and Exhibition, Houston, Texas, October 1999. Paper Number: SPE-56652-MS https://doi.org/10.2118/56652-MS Published: October 03 1999 Cite View This Citation Add to Citation Manager Share Icon Share Twitter LinkedIn Get Permissions Search Site Citation Massonnat, Gerard J. "Breaking of a Paradigm: Geology Can Provide 3D Complex Probability Fields for Stochastic Facies Modelling." Paper presented at the SPE Annual Technical Conference and Exhibition, Houston, Texas, October 1999. doi: https://doi.org/10.2118/56652-MS Download citation file: Ris (Zotero) Reference Manager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex Search nav search search input Search input auto suggest search filter All ContentAll ProceedingsSociety of Petroleum Engineers (SPE)SPE Annual Technical Conference and Exhibition Search Advanced Search This paper was prepared for presentation at the 1999 SPE Annual Technical Conference and Exhibition held in Houston, Texas, 3–6 October 1999. Keywords: probability field, stratigraphy, artificial intelligence, facies, machine learning, complex probability field, reservoir characterization, system tract, geologic modeling, grid Subjects: Reservoir Characterization, Geologic modeling This content is only available via PDF. 1999. Society of Petroleum Engineers You can access this article if you purchase or spend a download.
Variable Camber Compliant Wing - Design (2015)

This paper describes the design process and design validation of the US Air Force Research Laboratory developed Variable Camber Compliant Wing. The Variable Camber Compliant Wing was designed and fabricated based on compliant mechanisms and advanced manufacturing technologies, enabling a solution that is light weight, requires low power, and is low cost. The Air Force Research Laboratory demonstrates a new capability and technology for an active wing camber change without discrete control surfaces under realistic aerodynamic conditions. In this particular study, the wing was designed to target, but does not exactly resemble airfoil shapes between the NACA 2410 and NACA 8410, but the design is not only limited to these airfoils. The entire skin is seamless and continuous, constructed from a single piece of non-stretchable composite skin. The smooth elastic deformation of the Variable Camber Compliant Wing is obtained through the underlying compliant mechanism. 2D camber change is achieved by linear actuation to control both leading and trailing edge deflection. 3D shape change is also capable through camber variation along the span using a distributed actuation system. Proving the capability of a smooth 2D and 3D shape change would allow aircraft to significantly reduce fuel burn by continuously optimizing the wing L/D throughout the mission, as well as reduce airframe noise caused by holes and gaps existing on a conventional wing. Future aerodynamic applications and testing plans are discussed in this paper.
Studies on clathrasils. IV. Crystal structure of dodecasil 1 H, a synthetic clathrate compound of silica (1984)

Article Studies on clathrasils. IV. Crystal structure of dodecasil 1 H, a synthetic clathrate compound of silica was published on August 1, 1984 in the journal Zeitschrift für Kristallographie - Crystalline Materials (volume 166, issue 1-4).
The Hepatitis C Virus Glycan Shield and Evasion of the Humoral Immune Response (2011)

Despite the induction of effective immune responses, 80% of hepatitis C virus (HCV)-infected individuals progress from acute to chronic hepatitis. In contrast to the cellular immune response, the role of the humoral immune response in HCV clearance is still subject to debate. Indeed, HCV escapes neutralizing antibodies in chronically infected patients and reinfection has been described in human and chimpanzee. Studies of antibody-mediated HCV neutralization have long been hampered by the lack of cell-culture-derived virus and the absence of a small animal model. However, the development of surrogate models and recent progress in HCV propagation in vitro now enable robust neutralization assays to be performed. These advances are beginning to shed some light on the mechanisms of HCV neutralization. This review summarizes the current state of knowledge of the viral targets of anti-HCV-neutralizing antibodies and the mechanisms that enable HCV to evade the humoral immune response. The recent description of the HCV glycan shield that reduces the immunogenicity of envelope proteins and masks conserved neutralizing epitopes at their surface constitutes the major focus of this review.
ChemInform Abstract: Evaluation of the Efficiency of the Macrolactonization Using MNBA in the Synthesis of Erythromycin A Aglycon (2010)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 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.
Asymmetric Synthesis Utilizing Circularly Polarized Light Mediated by the Photoequilibrium of Chiral Olefins in Conjunction with Asymmetric Autocatalysis (2004)

Es werde Licht! Ein asymmetrisches Photogleichgewicht und eine Autokatalyse sind die Quellen der Homochiralität in einer hoch enantioselektiven Synthese von chiralen Alkoholen (siehe Schema). Der Prozess wird durch links- oder rechtszirkular polarisiertes Licht (CPL) ausgelöst. Dabei wird ein Photogleichgewicht zwischen chiralen Olefinsubstraten genutzt, um die entsprechenden (2-Alkinyl-5-pyrimidyl)-substituierten Alkanole zu erhalten. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2001/2004/z54162_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Optical Sectioning by Confocal Fresnel Incoherent Correlation Holography (2014)

Fresnel incoherent correlation holography (FINCH) is a method capable of recording spatially incoherent digital Fresnel holograms. We present a confocal configuration of FINCH that is able to suppress out-of-focus information from the recorded hologram.
Assay of phagocytic cell functions. (1993)

The fundamental role of the immune system is recognition of the self from the non-self; in this way the principal functions of the immune system can be summarized as: resistance against the cells and foreign substances which are potentially damaging the tissues; identification of neoplastic cells to be destroyed. The cells which have this role are essentially lymphocyte, neutrophils and macrophages: extracellular and cellular humoral factors also play their role into the inflammatory process. In fact, we define the normal responses of phagocyte as the capacity of the specific phagocytic cell to respond to various stimuli and to migrate to the location of the damage. This complex cellular defense mechanism comprises several steps that can be summarized as following: opsonization of particles to be ingested, adhesion and aggregation of phagocytes to vascular endothelium, migration of phagocytes through the vessel walls, chemotaxis of phagocytes towards pathogenic agents, recognition of the particles/antigens by the phagocytes which subsequently adhere to their surface, ingestion of the particles with formation of a phagosome. This process is completed with the fusion of the phagosome with cellular granules (lysosomes) and formation of phagolysosomes, degranulation and release of the enzyme laden granules into the phagolysosome, lysis and killing of ingested particles and bacteria. It is clear from this schematic summary, that the response to pathogens can be very complex and each of the processes involved in the above described steps could be deranged leading to various pathological changes. We analyze the most classical and new methods to study the physiopathology of granulocytes, which are important for clinical diagnosis of phagocyte diseases or for phagocytic dysfunction in various syndromes and in neoplastic patients.
Development of a Non-Gating Guardrail Terminal (2021)

Guardrail terminals have evolved to the point where they absorb energy while utilizing tension in the rail to countermand the compression. However, non-gating terminals have yet to be developed. In the present study, the possibility of a non-gating guardrail terminal was investigated. Specifically, the combination of lateral and longitudinal forces that produce non-gating performance were determined from computer simulation. Next, a prototype terminal was crash tested at the research team’s laboratory. A terminal head was designed to deform the guardrail, and its internal structure was adjustable to control the longitudinal force. Posts were designed to control lateral forces by modifying their section modulus. This controlled the force at which the posts buckled in response to a collision. A prototype was subjected to two 15° crash tests using an SUV and a small car. In both tests, the kinetic energy of the test vehicle was fully absorbed and the Manual for Assessing Safety Hardware (MASH) criteria would have been met. Neither vehicle passed beyond the terminal head, making these test results the first of their kind.
Gate Bias Effects on SiC MOSFET Terrestrial-Neutron Single-Event Burnout (2022)

Power devices are susceptible to failure by terrestrial neutron single-event burnout (SEB) while in the high-voltage blocking state and above a V DS threshold for that device. Typically, the SEB failure rate is measured at a high blocking voltage, with the source and gate at ground potential. Here the effect of a negative gate bias, commonly applied during MOSFET switching to the blocking state, on the SEB failure rate is examined. It is observed that the SEB failure rate is only weakly dependent on the negative gate bias, because it does not significantly affect the peak field in the drift region where avalanche breakdown is initiated. A negative gate bias of -8V GS in the device blocking state at 1100V DS only results in a 6% increase in the MOSFET SEB failure rate.
Parametric study on the use of magneto-dielectric materials for antenna miniaturization (2010)

In this paper results of a parametric study showing the advantages of using magneto-dielectric materials, in comparison with pure dielectrics, as substrate support for miniature printed antenna, are presented. Further to the reported widening of the frequency bandwidth [1] [2], it is shown that for a given antenna size and resonant frequency, almost fixed by the refractive index n √H <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">r</inf> Π <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">r</inf> of the material, increasing the relative permeability of the material improves the efficiency of the antenna. Obtained results for resonant patch and slot antennas using “theoretical” magneto-dielectric materials with various ratio of wave impedance z <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">w</inf> √Π <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">r</inf> |H <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">r</inf> , having realistic magnetic and dielectric loss tangents corresponding to practical substrates, are presented. They show that effect of the magneto dielectric on the performances of printed antennas depends significantly on the chosen antenna structure.
Synthesis and Studies of Mononucleoside Glucosyl Phosphotriester Derivatives (1997)

The synthesis and stability studies in several aqueous media of mononucleoside glucosyl phosphotriester derivatives of 3'-azido-3'-deoxythymidine are reported herein. Such neutral mononucleotides, which incorporate beta-glucopyranosidyl moieties associated to a thioethyl linker as phosphate protecting groups were designed to act as "pronucleotides", giving rise to the corresponding 5'-mononucleotide through a glucosidase-mediated activation mechanism.
White OLEDs: Color in the Corners: ITO‐Free White OLEDs with Angular Color Stability (Adv. Mater. 29/2013) (2013)

High-efficiency white organic light-emitting diodes (OLEDs) are fabricated by Whitney Gaynor and co-workers (see page 4006), using transparent electrodes composed of silver nanowires embedded in a transparent polymer. In addition to having a performance suitable for large-area devices, these solution-processed electrodes scatter light to enhance the Lambertian emission profile of the OLEDs as well as stabilize the emission color over all viewing angles.
Entrapment of Enzymes and Carbon Nanotubes in Biologically Synthesized Silica: Glucose Oxidase‐Catalyzed Direct Electron Transfer (2008)

This work demonstrates a new approach for building bioinorganic interfaces by integrating biologically derived silica with single-walled carbon nanotubes to create a conductive matrix for immobilization of enzymes. Such a strategy not only allows simple integration into biodevices but presents an opportunity to intimately interface an enzyme and manifest direct electron transfer features. Biologically synthesized silica/carbon nanotube/enzyme composites are evaluated electrochemically and characterized by means of X-ray photoelectron spectroscopy. Voltammetry of the composites displayed stable oxidation and reduction peaks at an optimal potential close to that of the FAD/FADH(2) cofactor of immobilized glucose oxidase. The immobilized enzyme is stable for a period of one month and retains catalytic activity for the oxidation of glucose. It is demonstrated that the resulting composite can be successfully integrated into functional bioelectrodes for biosensor and biofuel cell applications.
Erythropoietin Requirements Increase following Hospitalization in End-Stage Renal Disease Patients (2001)

This study points out that hemodialysis patients experience a significant and prolonged decrease in Hgb levels after hospitalization, even despite a moderate increase in Epo dosing.
Visualization of Droplet Diameter on Drop-wise Condensation (2009)

Cooling System) is one of decay heat removal systems run automatically after nuclear reactor core flooding case of LOCA (Loss of Coolant Accident).
High Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Non-Covalent Inhibitor (2021)

Despite the recent availability of vaccines against the acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the search for inhibitory therapeutic agents has assumed importance especially in the context of emerging new viral variants. In this paper, we describe the discovery of a novel non-covalent small-molecule inhibitor, MCULE-5948770040, that binds to and inhibits the SARS-Cov-2 main protease (M pro ) by employing a scalable high throughput virtual screening (HTVS) framework and a targeted compound library of over 6.5 million molecules that could be readily ordered and purchased. Our HTVS framework leverages the U.S. supercomputing infrastructure achieving nearly 91% resource utilization and nearly 126 million docking calculations per hour. Downstream biochemical assays validate this M pro inhibitor with an inhibition constant ( K i ) of 2.9 µ M [95% CI 2.2, 4.0]. Further, using room-temperature X-ray crystallography, we show that MCULE-5948770040 binds to a cleft in the primary binding site of M pro forming stable hydrogen bond and hydrophobic interactions. We then used multiple µ s-timescale molecular dynamics (MD) simulations, and machine learning (ML) techniques to elucidate how the bound ligand alters the conformational states accessed by M pro , involving motions both proximal and distal to the binding site. Together, our results demonstrate how MCULE-5948770040 inhibits M pro and offers a springboard for further therapeutic design. Significance Statement The ongoing novel coronavirus pandemic (COVID-19) has prompted a global race towards finding effective therapeutics that can target the various viral proteins. Despite many virtual screening campaigns in development, the discovery of validated inhibitors for SARS-CoV-2 protein targets has been limited. We discover a novel inhibitor against the SARS-CoV-2 main protease. Our integrated platform applies downstream biochemical assays, X-ray crystallography, and atomistic simulations to obtain a comprehensive characterization of its inhibitory mechanism. Inhibiting M pro can lead to significant biomedical advances in targeting SARS-CoV-2 treatment, as it plays a crucial role in viral replication.