gebhart/patrepeval huggingface dataset:
Fragility and temperature dependence of stretched exponential relaxation in glass‐forming systems (2021)

Abstract Relaxation behavior is critically important for nearly all high‐tech applications of glass. It is also known as one of the most difficult unsolved problems in condensed matter physics. The relaxation behavior of glass can be described using the stretched exponential decay function , the shape of which is governed by the dimensionless stretching exponent β . Here, a temperature‐dependent model for β ( T ) is proposed. The model is derived based on the Adam‐Gibbs relationship and insights from the energy landscape description of glass‐forming systems. The model captures previously known limiting values of β ( T ) while also providing a continuous transition between these limits. Additionally, the model captures the effects of fragility and thermal history. The model is validated with experimental data for commercial silicate glasses and a borate glass.
Isolation of Cytotoxic Chondropsins, Macrolide Lactams from the New-Caledonian Marine SpongePsammoclemmaSp. and Electrospray Ion Trap Multiple stage MS study of these Macrolides (2004)

Psammoclemma sp. (Phoriospongiidae) was selected for study through biological screening carried out in New Caledonia. The crude extract of Psammoclemma sp. was highly active on KB cells and its fractionation led to the isolation of two macrolides chondropsin A 1 and 73-deoxychondropsin A 2. The complex structures were elucidated by a combination of spectroscopic methods (NMR, ESI-MS/MS). These known compounds were evaluated for their cytotoxic activity towards several tumor cell lines and exhibited an IC50 of approximately 10(-10) M. Flow-cytometric analysis revealed that chondropsin A 1 and 73-deoxychondropsin A 2 blocked the entry of HL 60 and KB cells into G2/M phase, leading to cell death by apoptosis.
FDC-BASED PARTICLE SWARM OPTIMIZATION (2009)

A new variant of the Particle Swarm Optimization (PSO) algorithm is presented in this paper. It uses a well-known measure of problem hardness, the Fitness-Distance Correlation, to modify the position of the swarm attractors, both global and local to single particles. The goal of the algorithm is to make the fitness landscape between each particle's positions and their attractors as smooth as possible. Experimental results, obtained on 15 out of the 25 test functions belonging to the test suite used in CEC-2005 numerical optimization competition, show that this new PSO version is generally competitive, and in some cases, better than standard PSO.
Ubiquitous Asynchronous Computations for Solving the Acoustic Wave Propagation Equation (2018)

This paper designs and implements an ubiquitous asynchronous computational scheme for solving the acoustic wave propagation equation with Absorbing Boundary Conditions (ABCs) in the context of seismic imaging applications. While the Convolutional Perfectly Matched Layer (CPML) is typically used as ABCs in the oil and gas industry, its formulation further stresses memory accesses and decreases the arithmetic intensity at the physical domain boundaries. The challenges with CPML are twofold: (1) the strong, inherent data dependencies imposed on the explicit time stepping scheme render asynchronous time integration cumbersome and (2) the idle time is further exacerbated by the load imbalance introduced among processing units. In fact, the CPML formulation of the ABCs requires expensive synchronization points, which may hinder parallel performance of the overall asynchronous time integration. In particular, when deployed in conjunction with the Multicore-optimized Wavefront Diamond (MWD) tiling approach for the inner domain points, it results into a major performance slow down. To relax CPML’s synchrony and mitigate the resulting load imbalance, we embed CPML’s calculation into MWD’s inner loop and carry on the time integration with fine-grained computations in an asynchronous, holistic way. This comes at the price of storing transient results to alleviate dependencies from critical data hazards, while maintaining the numerical accuracy of the original scheme. Performance results on various x86 architectures demonstrate the superiority of MWD with CPML against the standard spatial blocking. To our knowledge, this is the first practical study, which highlights the consolidation of CPML ABCs with asynchronous temporal blocking stencil computations.
Characterization of micromixing in a Continuous Oscillatory Baffled Reactor (2018)

International audience
Zur Synthese und Verwendung chiraler ionischer Flüssigkeiten (2011)

It was the aim of this work to synthesize and characterize a new class of chiral ionic liquids (CIL) by introducing chiral groups in the backbone of ionic liquids. The interaction of the new ionic liquids with chiral substrates and transition states of asymmetric reactions should be examined to find possibilities of chirality transfer from a chiral solvent to the products of a reaction. To this end, a property-profile for chiral ionic liquids including charge distribution and positioning of stereo centers and functional groups was developed. According to this profile, a suitable CIL for chirality transfer should possess a sterically unshielded, localized charge in close distance to a stereocenter. To examine the chirality transfer from a CIL to an organic reaction product, Diels-Alder reactions, homogeneously and heterogeneously catalyzed hydrogenations of itaconic acid dimethyl ester as well as benzoin reactions were carried out in CIL. In none of those reactions the products show any enantiomeric excess. To make a system in which effective chirality transfer could take place, an ionic liquid was designed that combines a chiral anion with a prochiral cation. It was postulated that in such a system the chiral ion is always in near contact to the prochiral counterion and should therefore influence the outcome of a reaction at the prochiral ion. To this end, keto-functionalized cations were hydrogenated to the corresponding chiral alcohols in the presence of enantiomerically pure camphorsulfonate anions. Since the homogeneously catalyzed hydrogenation failed due to the low reactivity of the ketone, the reaction was carried out with a heterogeneous catalyst. Enantiomeric excesses of up to 80% ee were achieved. The enantiomeric excess was strongly dependant on used cosolvent and the concentration of the ionic liquid in this cosolvent. This behaviour leads to the conclusion that a certain amount of ion aggregation is beneficial for chirality transfer, whereas the formation of even higher ion aggregates lowers the selectivity of the reaction. As a fast method to evaluate the diastereomeric interaction of CIL and substrate, the 19F-NMR-spectroscopy of racemic Mosher´s acid or its salts in solutions of CIL was developed. The 19F-signals of Mosher´s acid are shifted differently due to diastereomeric interactions. The existence of a peak splitting is regarded as a proof of diastereomeric interactions; the amount of splitting is a measure of the strength of this interaction. A 13C-relaxation measurement of a mixture of CIL and a substrate indicated the place of the interaction between the substances. Based on the measured relaxation times it was shown that the interaction took place at the carbonyl-C of Mosher´s acid. For all the other nucleii, the interactions were too weak to result in measurable differences of relaxation times.
Mobil Methanol-to-Gasoline Process (1982)

This paper explains that 2 major concerns in the development of the methanol-to-gasoline (MTG) process are heat removal from the reactor and the formation of durene (1-,2-,4-,5-tetramethylbenzene). Conversion of methanol to gasoline is highly exothermic (about 1510-1740 kJ/kg of methanol converted) and the adiabatic temperature rise would be almost 600C. Within Mobil, 2 types of reactor configurations were adopted for development: an adiabatic fixed-bed and a fluid-bed reactor. The fixed-bed reactor is ready for immediate commercialization and is more suitable for smaller scale operation. The fluid-bed reactor is under development and possesses the following potential advantages over the fixed-bed reactor: reaction heat removal is simplified by using the superior heat transfer characteristics of a fluid bed; when coupled with alkylation, the fluid bed gives a higher gasoline yield than the fixed bed; and constant catalyst activity, gasoline selectivity, and gasoline quality can be maintained with the fluid-bed operation. Fixed-bed is cyclic.
Investigation of Non-Orthogonal Multiple Access Techniques for Future Cellular Networks (2017)

There is an expected explosion in the number of users which will be connected to future wireless networks with the continued expansion of the Internet of Things. New technologies are needed in order to keep up with this connectivity demand. Non-orthogonal multiple access (NOMA) is one technology which seeks to improve spectral efficiency and allow for more connected users. NOMA seeks to overload resources in order to allow more users to access the same time and frequency resource blocks. There have been various proposals on how to realize NOMA in the network, including power domain non-orthogonal multiple access (PD-NOMA), interleave division multiple access(IDMA), and sparse code multiple access (SCMA). This paper investigates these three proposals and simulates them in the uplink setting in order to analyze their performance and compare them. Advantages and disadvantages for each technique are discussed with an emphasis on practical considerations.
Energy-Efficient Mapping of LTE-A PHY Signal Processing Tasks on Microservers (2018)

Centralized radio access network (C-RAN) is a network architecture that is emerging as a key technology enabler for 5G mobile networks as capacity demands for mobile traffic continue to proliferate. Essentially, C-RAN involves separating the remote radio heads from baseband units to be processed in the cloud. A systematic design of C-RAN involves mapping of individual baseband signal processing tasks to general purpose cloud infrastructures, such as the microserver to reduce the energy footprint. In this paper, we start with mapping the lowest protocol stack, i.e., the physical layer (PHY), which is characterized by strict latency and dynamic data rate. To achieve this, we explore the use of machine intelligence for energyefficient mapping of PHY signal processing on microservers. Fundamental to this approach is: 1) the use of principal component analysis to represent workload from multi-dimensional hardware performance statistics, demonstrating 99.88% correlation with the critical PHY processing latency and 2) the use of deep learning to model latency and predict dynamic workload for on-demand resource allocation, resulting in up to 36% reduction in hardware usage. These principles are built into a cross-layer run-time framework, which adapts resource allocation in response to time-varying data rate, guaranteeing latency, and improving energy efficiency by up to 48% (average 28%).
3D chainmail (1997)

An algorithm is presentedthatenables fast deformation of volumetric objects. Using this algorithm, rigid, defm-rnable,elastic and plastic materialscan be modeled by adjusting deformation limits for individual elements. An interactivesystem thatcombines the deformation algorithm with collision deteetion and an energy minimizing elastic relaxation step is described. Using this system, objects containing up to-125,000 elements have b deformed intem~tivelyon an-SGI Indy.
Abstract 10732: BAY 94-8862 Exerts a Potent Natriuretic Effect in Healthy Male Subjects Pre-treated With Fludrocortisone: Findings From a Proof-of-concept Study (2012)

Background Activation of the mineralocorticoid receptor (MR) by aldosterone is known to promote the retention of sodium by the kidney and has an important role in the pathophysiology of heart failu...
Nucleotide Analogues as Inhibitors of Viral Polymerases (2020)

Summary Coronaviruses such as the newly discovered virus from Wuhan, China, 2019-nCoV, and the viruses that cause SARS and MERS, have resulted in regional and global public health emergencies. Based on our molecular insight that the hepatitis C virus and the coronavirus use a similar viral genome replication mechanism, we reasoned that the FDA-approved drug EPCLUSA (Sofosbuvir/Velpatasvir) for the treatment of hepatitis C will also inhibit the above coronaviruses, including 2019-nCoV. To develop broad spectrum anti-viral agents, we further describe a novel strategy to design and synthesize viral polymerase inhibitors, by combining the ProTide Prodrug approach used in the development of Sofosbuvir with the use of 3’-blocking groups that we have previously built into nucleotide analogues that function as polymerase terminators.
Biodiversity and Classification of Phages Infecting Lactobacillus brevis (2019)

<i>Lactobacillus brevis</i> is a lactic acid bacterium that is known as a food and beverage spoilage organism, and more specifically as a beer-spoiler. Phages of <i>L. brevis</i> have been described, but very limited data is available regarding temperate phages of <i>L. brevis</i>. Temperate phages may exert benefits to the host, while they may also be employed to combat beer spoilage. The current study reports on the incidence of prophage sequences present in nineteen distinct <i>L. brevis</i> genomes. Prophage induction was evaluated using mitomycin C exposure followed by genome targeted-PCR, electron microscopy and structural proteome analysis. The morphological and genome sequence analyses revealed significant diversity among <i>L. brevis</i> prophages, which appear to be dominated by members of the <i>Myoviridae</i> phage family. Based on this analysis, we propose a classification of <i>L. brevis</i> phages into five groups.
Positive surgical margins are a risk factor for significant biochemical recurrence only in intermediate‐risk disease (2012)

PSM is a risk factor for significant biochemical recurrence only in intermediate risk disease.
Modeling continuous glucose monitoring (CGM) data during sleep (2020)

We introduce a multilevel functional Beta model to quantify the blood glucose levels measured by continuous glucose monitors for multiple days in study participants with type 2 diabetes mellitus. The model estimates the subject-specific marginal quantiles, quantifies the within- and between-subject variability, and produces interpretable parameters of blood glucose dynamics as a function of time from the actigraphy-estimated sleep onset. Results are validated via simulations and by studying the association between the estimated model parameters and hemoglobin A1c, the gold standard for assessing glucose control in diabetes.
A General Approach for Partitioning Web Page Content Based on Geometric and Style Information (2007)

In this paper, we describe a general-purpose approach for partitioning Web page content. The novelty of our ap- proach lies in the use of detailed layout information from a Web page renderer to determine spatial locality and identify visual separators, and the use of relaxed matching over pre- sentation style information to determine presentation style similarity. We present several examples to illustrate the gen- erality of our approach.
Nutrition in Acute Pulmonary Disease (2009)

Acutely stressed patients with chronic pulmonary disease have a particular need for accurate nutritional assessment and appropriate nutritional therapy. Loss of skeletal muscle, often extensive, can be paralleled by dramatic alterations in cellular function; inadvertent provision of excessive calories or of individual substrates may produce more harm than benefit. In the absence of a single "gold standard" for nutritional assessment and monitoring, no single value should take precedence over the entire clinical picture, which should be thoughtfully assessed and reassessed, with both the patient's nutritional needs and the consequences of their provision kept in mind. In the future, assessments of the impact of nutritional intervention will probably rely more heavily on functional tests of specific organs and of the immune system. Intervention will be based not only on provision of calories, individual substrates, vitamins, and minerals, but also on control of the inflammatory response in order that the nutrients may be properly utilized.
Counterfactual Reasoning and Learning Systems (2012)

This work shows how to leverage causal inference to understand the behavior of complex learning systems interacting with their environment and predict the consequences of changes to the system. Such predictions allow both humans and algorithms to select the changes that would have improved the system performance. This work is illustrated by experiments carried out on the ad placement system associated with the Bing search engine.
Electrical Resistivity of Carbon Micro Coil Measured by a Multi-Probe Unit Installed in a Scanning Electron Microscope (2005)

We have done four-terminal resistance measurement of a carbon micro-coil (CMC) using a multi-probe unit installed in a scanning electron microscope (SEM). With minimizing a charging effect of specimens for SEM observation, we have kept sufficient electrical insulation between the sample and the substrate. CMC shows an ohmic conduction and has a resistivity value of about 1.5×10 -4 Ω m at room temperature. This resistivity measurement method will be applicable to other micro-scale samples.
Engineered Biosynthesis of Regioselectively Modified Aromatic Polyketides Using Bimodular Polyketide Synthases (2004)

Bacterial aromatic polyketides such as tetracycline and doxorubicin are a medicinally important class of natural products produced as secondary metabolites by actinomyces bacteria. Their backbones are derived from malonyl-CoA units by polyketide synthases (PKSs). The nascent polyketide chain is synthesized by the minimal PKS, a module consisting of four dissociated enzymes. Although the biosynthesis of most aromatic polyketide backbones is initiated through decarboxylation of a malonyl building block (which results in an acetate group), some polyketides, such as the estrogen receptor antagonist R1128, are derived from nonacetate primers. Understanding the mechanism of nonacetate priming can lead to biosynthesis of novel polyketides that have improved pharmacological properties. Recent biochemical analysis has shown that nonacetate priming is the result of stepwise activity of two dissociated PKS modules with orthogonal molecular recognition features. In these PKSs, an initiation module that synthesizes a starter unit is present in addition to the minimal PKS module. Here we describe a general method for the engineered biosynthesis of regioselectively modified aromatic polyketides. When coexpressed with the R1128 initiation module, the actinorhodin minimal PKS produced novel hexaketides with propionyl and isobutyryl primer units. Analogous octaketides could be synthesized by combining the tetracenomycin minimal PKS with the R1128 initiation module. Tailoring enzymes such as ketoreductases and cyclases were able to process the unnatural polyketides efficiently. Based upon these findings, hybrid PKSs were engineered to synthesize new anthraquinone antibiotics with predictable functional group modifications. Our results demonstrate that (i) bimodular aromatic PKSs present a general mechanism for priming aromatic polyketide backbones with nonacetate precursors; (ii) the minimal PKS controls polyketide chain length by counting the number of atoms incorporated into the backbone rather than the number of elongation cycles; and (iii) in contrast, auxiliary PKS enzymes such as ketoreductases, aromatases, and cyclases recognize specific functional groups in the backbone rather than overall chain length. Among the anthracyclines engineered in this study were compounds with (i) more superior activity than R1128 against the breast cancer cell line MCF-7 and (ii) inhibitory activity against glucose-6-phosphate translocase, an attractive target for the treatment of Type II diabetes.
Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture (2020)

Increasing crop productivity is our major challenge if we are to meet global needs for food, fodder and fuel. Controlling the content of the plant hormone cytokinin is a method of improving plant productivity. Cytokinin oxidase/dehydrogenase (CKO/CKX) is a major target in this regard because it degrades cytokinins. Here, we describe the synthesis and biological activities of new CKX inhibitors derived mainly from diphenylurea. They were tested on four CKX isoforms from maize and Arabidopsis, where the best compounds showed IC50 values in the 10-8 M concentration range. The binding mode of the most efficient inhibitors was characterized from high-resolution crystal complexed structures. Although these compounds do not possess intrinsic cytokinin activity, we have demonstrated their tremendous potential for use in the plant tissue culture industry as well as in agriculture. We have identified a key substance, compound 19, which not only increases stress resistance and seed yield in Arabidopsis, but also improves the yield of wheat, barley and rapeseed grains under field conditions. Our findings reveal that modulation of cytokinin levels via CKX inhibition can positively affect plant growth, development and yield, and prove that CKX inhibitors can be an attractive target in plant biotechnology and agriculture.
Cryoelectrolysis - electrolytic processes in a frozen physiological saline medium (2016)

Background: Cryoelectrolysis is a new minimally invasive tissue ablation surgical technique that combines the processes of electrolysis and solid/liquid phase transformation (freezing). Method: Performing a typical cryoelectrolytic ablation protocol in a tissue simulant made of physiological saline gel with a pH dye, we observed several new physical and electrochemical phenomena of relevance to tissue ablation. Results: We found that electrolysis can occur simultaneously with phase transformation, at high subzero freezing temperatures, above the eutectic temperature of the frozen salt solution. Another interesting finding is that electro-osmotic flows affect the process of cryoelectrolysis at the anode and cathode, in different ways. Discussion: The observations are consistent with a mechanism involving ionic movement through the concentrated saline solution channels between ice crystals, at subfreezing temperatures above the eutectic. The findings in this paper may become the scientific basis for designing future cryoelectrolytic ablation surgery protocols.
Bioresorbable Electrospun Fibers for Immobilization of Thiol‐Containing Compounds (2010)

For the reconstruction of functional tissue, biodegradable scaffolds providing specific surface functionality and a three-dimensional structure matching that of the damaged tissue are needed. Fibers capable of controlling cell-fiber interaction were produced by electrospinning of PDLLA-block-PEG with thiol-reactive end groups from a solvent mixture. The hydrophilic fibers uniquely combine minimized non-specific protein adsorption and well-defined surface reactivity allowing controlled immobilization of peptides and proteins. Human dermal fibroblasts show adherence and proliferation on the surface of RGDC-functionalized electrospun PDLLA-block-PEG fibers.
One-pot aerosol synthesis of ordered hierarchical mesoporous core–shell silica nanoparticles (2004)

A mixed surfactant approach has been successfully employed in an aerosol-based synthesis of spherical silica particles exhibiting a new core-shell structure where the shell and the core exhibit different ordered mesoporosity and pore sizes.