gebhart/patrepeval huggingface dataset:
Flow Photochemical Syntheses of <i>trans‐</i>Cyclooctenes and <i>trans‐</i>Cycloheptenes Driven by Metal Complexation (2019)

<i>trans</i>-Cyclooctenes and <i>trans</i>-cycloheptenes have long been the subject of physical organic study, but the broader application had been limited by synthetic accessibility. This account describes the development of a general, flow photochemical method for the preparative synthesis of <i>trans</i>-cycloalkene derivatives. Here, photoisom erization takes place in a closed-loop flow reactor where the reaction mixture is continuously cycled through Ag(I) on silica gel. Selective complexation of the <i>trans</i>-isomer by Ag(I) during flow drives an otherwise unfavorable isomeric ratio toward the <i>trans</i>-isomer. Analogous photoreactions under batch-conditions are low yielding, and flow chemistry is necessary in order to obtain <i>trans</i>-cycloalkenes in preparatively useful yields. The applications of the method to bioorthogonal chemistry and stereospecific transannulation chemistry are described.
Hybrid Polyion Complex Micelles Formed from Double Hydrophilic Block Copolymers and Multivalent Metal Ions: Size Control and Nanostructure (2012)

Hybrid polyion complex (HPIC) micelles are nanoaggregates obtained by complexation of multivalent metal ions by double hydrophilic block copolymers (DHBC). Solutions of DHBC such as the poly(acrylic acid)-block-poly(acrylamide) (PAA-b-PAM) or poly(acrylic acid)-block-poly(2-hydroxyethylacrylate) (PAA-b-PHEA), constituted of an ionizable complexing block and a neutral stabilizing block, were mixed with solutions of metal ions, which are either monoatomic ions or metal polycations, such as Al(3+), La(3+), or Al(13)(7+). The physicochemical properties of the HPIC micelles were investigated by small angle neutron scattering (SANS) and dynamic light scattering (DLS) as a function of the polymer block lengths and the nature of the cation. Mixtures of metal cations and asymmetric block copolymers with a complexing block smaller than the stabilizing block lead to the formation of stable colloidal HPIC micelles. The hydrodynamic radius of the HPIC micelles varies with the polymer molecular weight as M(0.6). In addition, the variation of R(h) of the HPIC micelle is stronger when the complexing block length is increased than when the neutral block length is increased. R(h) is highly sensitive to the polymer asymmetry degree (block weight ratio), and this is even more true when the polymer asymmetry degree goes down to values close to 3. SANS experiments reveal that HPIC micelles exhibit a well-defined core-corona nanostructure; the core is formed by the insoluble dense poly(acrylate)/metal cation complex, and the diffuse corona is constituted of swollen neutral polymer chains. The scattering curves were modeled by an analytical function of the form factor; the fitting parameters of the Pedersen's model provide information on the core size, the corona thickness, and the aggregation number of the micelles. For a given metal ion, the micelle core radius increases as the PAA block length. The radius of gyration of the micelle is very close to the value of the core radius, while it varies very weakly with the neutral block length. Nevertheless, the radius of gyration of the micelle is highly dependent on the asymmetry degree of the polymer: if the neutral block length increases in a large extent, the micelle radius of gyration decreases due to a decrease of the micelle aggregation number. The variation of the R(g)/R(h) ratio as a function of the polymer block lengths confirms the nanostructure associating a dense spherical core and a diffuse corona. Finally, the high stability of HPIC micelles with increasing concentration is the result of the nature of the coordination complex bonds in the micelle core.
Advanced surface inspection techniques for SOI wafers (1998)

In this paper, it is described that (1) Various type of SOI wafers have each optimum laser illumination mode, (2) Using this optimum laser illumination, 0.1 - 0.3 micrometer particle detection sensitivity has been achieved. (3) By measuring the noise element of scattered light from SOI surface, failure mode can be determined. The performance of the particle detection for each type of wafer and the result of surface roughness failure is also discussed.
Focused Ultrasound-Induced Neurogenesis Requires an Increase in Blood-Brain Barrier Permeability (2016)

Transcranial focused ultrasound technology used to transiently open the blood-brain barrier, is capable of stimulating hippocampal neurogenesis; however, it is not yet known what aspects of the treatment are necessary for enhanced neurogenesis to occur. The present study set out to determine whether the opening of blood-brain barrier, the specific pressure amplitudes of focused ultrasound, and/or the intravenous administration of microbubbles (phospholipid microspheres) are necessary for the enhancement of neurogenesis. Specifically, mice were exposed to burst (10ms, 1Hz burst repetition frequency) focused ultrasound at the frequency of 1.68MHz and with 0.39, 0.78, 1.56 and 3.0MPa pressure amplitudes. These treatments were also conducted with or without microbubbles, at 0.39 + 0.78MPa or 1.56 + 3.0MPa, respectively. Only focused ultrasound at the ~0.78 MPa pressure amplitude with microbubbles promoted hippocampal neurogenesis and was associated with an increase in blood-brain barrier permeability. These results suggest that focused ultrasound -mediated neurogenesis is dependent upon the opening of the blood-brain barrier.
La Vie de Marianne et le pacte de lecture (2015)

status: Published
Comprehensive understanding of magnetic hyperthermia for improving antitumor therapeutic efficacy (2020)

Magnetic hyperthermia (MH) has been introduced clinically as an alternative approach for the focal treatment of tumors. MH utilizes the heat generated by the magnetic nanoparticles (MNPs) when subjected to an alternating magnetic field (AMF). It has become an important topic in the nanomedical field due to their multitudes of advantages towards effective antitumor therapy such as high biosafety, deep tissue penetration, and targeted selective tumor killing. However, in order for MH to progress and to realize its paramount potential as an alternative choice for cancer treatment, tremendous challenges have to be overcome. Thus, the efficiency of MH therapy needs enhancement. In its recent 60-year of history, the field of MH has focused primarily on heating using MNPs for therapeutic applications. Increasing the thermal conversion efficiency of MNPs is the fundamental strategy for improving therapeutic efficacy. Recently, emerging experimental evidence indicates that MNPs-MH produces nano-scale heat effects without macroscopic temperature rise. A deep understanding of the effect of this localized induction heat for the destruction of subcellular/cellular structures further supports the efficacy of MH in improving therapeutic therapy. In this review, the currently available strategies for improving the antitumor therapeutic efficacy of MNPs-MH will be discussed. Firstly, the recent advancements in engineering MNP size, composition, shape, and surface to significantly improve their energy dissipation rates will be explored. Secondly, the latest studies depicting the effect of local induction heat for selectively disrupting cells/intracellular structures will be examined. Thirdly, strategies to enhance the therapeutics by combining MH therapy with chemotherapy, radiotherapy, immunotherapy, photothermal/photodynamic therapy (PDT), and gene therapy will be reviewed. Lastly, the prospect and significant challenges in MH-based antitumor therapy will be discussed. This review is to provide a comprehensive understanding of MH for improving antitumor therapeutic efficacy, which would be of utmost benefit towards guiding the users and for the future development of MNPs-MH towards successful application in medicine.
SEMPA: software engineering for parallel scientific computing (1997)

The Sempa project brings together researchers from computer science, mechanical engineering, and numerical analysis to define software-engineering methods for the parallelization of existing large-scale software packages in scientific computing. The parallel implementation of TfC, an industrial state-of-the-art computational-fluid-dynamics simulation program, serves as the central case study for defining and evaluating these methods. Sempa researchers have successfully implemented and tested a portable parallel version of TfC based on message-passing standards (PVM and MPI). In addition, Sempa researchers have demonstrated the potential of new languages and programming paradigms such as data parallelism and object orientation by reimplementing the algebraic multigrid solver-a key module in TfC-in Fortran 90, HPF, and C++. Networks of workstations have become very attractive as low-cost platforms. Efficiently using their resources for production runs of parallel software requires automated resource management that optimizes resource utilization for parallel batch jobs without impeding interactive use. Therefore, the Sempa project has also implemented a resource manager for batch execution of PVM programs.
Electrical Characteristics of Chronically Implanted Platinum-Irdium Electrodes (1987)

The electrical characteristics of platinum 30 percent-iridium microelectrodes implanted in the cruciate gyrus of cats were monitored during pulsing with charge-balanced, symmetric, cathodicfirst, controlled-current pulse pairs. The amplitude of the pulses spanned the range shown in other studies to be effective as neuronal stimuli, but not to induce histologic or physiologic damage in brain tissue adjacent to the microelectrode tips (10-80 μA). Two inflections on the cathodic and anodic charging transients induced by the controlled-current pulses were identified as being due to evolution of molecular hydrogen and the adsorption of oxygen, respectively. Despite the pH dependence of the equilibrium potential of these faradaic reactions, the electrode potentials at the inflections were shown to be independent of stimulus current over most of the useful range of stimulus intensities (20-80/μA, 200-800 μC/cm2, and 1-4 A/cm2). Hence, these inflections are valid markers of the true electrode potential, independent of accurate computation of access impedance or a stable reference electrode potential. The implications for monitoring the performance of chronically implanted microelectrodes and for the selection of stimulus parameters is discussed.
How, When, and Where Relic DNA Affects Microbial Diversity (2018)

Extracellular or "relic" DNA is one of the largest pools of nucleic acids in the biosphere. Relic DNA can influence a number of important ecological and evolutionary processes, but it may also affect estimates of microbial abundance and diversity, which has implications for understanding environmental, engineered, and host-associated ecosystems. We developed models capturing the fundamental processes that regulate the size and composition of the relic DNA pools to identify scenarios leading to biased estimates of biodiversity. Our models predict that bias increases with relic DNA pool size, but only when the species abundance distributions (SADs) of relic and intact DNA are distinct from one another. We evaluated our model predictions by quantifying relic DNA and assessing its contribution to bacterial diversity using 16S rRNA gene sequences collected from different ecosystem types, including soil, sediment, water, and the mammalian gut. On average, relic DNA made up 33% of the total bacterial DNA pool but exceeded 80% in some samples. Despite its abundance, relic DNA had a minimal effect on estimates of taxonomic and phylogenetic diversity, even in ecosystems where processes such as the physical protection of relic DNA are common and predicted by our models to generate bias. Our findings are consistent with the expectation that relic DNA from different taxa degrades at a constant and equal rate, suggesting that it may not fundamentally alter estimates of microbial diversity.<b>IMPORTANCE</b> The ability to rapidly obtain millions of gene sequences and transcripts from a range of environments has greatly advanced understanding of the processes that regulate microbial communities. However, nucleic acids extracted from complex samples do not come only from viable microorganisms. Dead microorganisms can generate large pools of relic DNA that distort insight into the ecology and evolution of microbial systems. Here, we develop a conceptual and quantitative framework for understanding how relic DNA influences the structure of microbiomes. Our theoretical models and empirical results demonstrate that a large relic DNA pool does not automatically lead to biased estimates of microbial diversity. Rather, relic DNA effects emerge in combination with microscale processes that alter the commonness and rarity of sequences found in heterogeneous DNA pools.
Automatic Web site classification in a large repository under information filtering and retrieval techniques (2003)

Nowadays, there is a huge volume of information on the Web, which is disseminated to the users in a chaotic way. In order to be easily accessed, the information must be clustered and classified in appropriate knowledge areas. Thus, many heavily visited sites or portals try to unify the access to multiple information sources, providing by this way classification of information. This paper proposes a system, aiming to classify e-commerce sites according their Web-content. This system can be implemented for automatic knowledge segmentation in a portal or in a search engine repository. The system performance reached 96% in the first test sets, after the learning phase. However, the performance significantly increases (up to 98%) as the number of the test sets increases.
<i>In Vitro</i>Antiretroviral Properties of S/GSK1349572, a Next-Generation HIV Integrase Inhibitor (2010)

S/GSK1349572 is a next-generation HIV integrase (IN) inhibitor designed to deliver potent antiviral activity with a low-milligram once-daily dose requiring no pharmacokinetic (PK) booster. In addition, S/GSK1349572 demonstrates activity against clinically relevant IN mutant viruses and has potential for a high genetic barrier to resistance. S/GSK1349572 is a two-metal-binding HIV integrase strand transfer inhibitor whose mechanism of action was established through in vitro integrase enzyme assays, resistance passage experiments, activity against viral strains resistant to other classes of anti-HIV agents, and mechanistic cellular assays. In a variety of cellular antiviral assays, S/GSK1349572 inhibited HIV replication with low-nanomolar or subnanomolar potency and with a selectivity index of 9,400. The protein-adjusted half-maximal effective concentration (PA-EC(50)) extrapolated to 100% human serum was 38 nM. When virus was passaged in the presence of S/GSK1349572, highly resistant mutants were not selected, but mutations that effected a low fold change (FC) in the EC(50) (up to 4.1 fold) were identified in the vicinity of the integrase active site. S/GSK1349572 demonstrated activity against site-directed molecular clones containing the raltegravir-resistant signature mutations Y143R, Q148K, N155H, and G140S/Q148H (FCs, 1.4, 1.1, 1.2, and 2.6, respectively), while these mutants led to a high FC in the EC(50) of raltegravir (11- to >130-fold). Either additive or synergistic effects were observed when S/GSK1349572 was tested in combination with representative approved antiretroviral agents; no antagonistic effects were seen. These findings demonstrate that S/GSK1349572 would be classified as a next-generation drug in the integrase inhibitor class, with a resistance profile markedly different from that of first-generation integrase inhibitors.
[Testicular dysgenesis syndrome: an update]. (2010)

Researches on the testicular dysgenesis syndrome (TDS) have flourished in the recent decade, and a widely accepted view on its pathogenesis is that environmental endocrine disrupting chemicals (EDCs) act on Leydig cells and/or testicular Sertoli cells, resulting in abnormal development of the testis and leading to the symptoms of TDS. Molecular biological studies suggest a correlation of TDS etiology with insulin-like factor 3 (INSL-3), androgen receptor (AR), P27kip, WT-1 and Müllerian inhibiting substance (MIS). This review focuses on the progress in current researches on the etiology and mechanism of TDS.
Influence of Lactic Acid on the Formation of Aqueous Two-Phase Systems Containing Poly(ethylene glycol) and Phosphates (2008)

In this paper, which forms part of a study on aqueous two-phase systems (ATPS) for separation of low-molar-mass organic acids in the biotechnology industry, we present experimental results on the phase equilibria of ATPS containing poly(ethylene glycol) (PEG) and either K2HPO4 or KH2PO4 or a fixed mixture of the two phosphates. The measurements were made at a temperature of 298.15 K and a pressure of 1 bar. The PEG had a mass-average molar mass of either 10 000 g·mol−1 or 20 000 g·mol−1 and a polydispersity index of 1.05. The influence of 2-hydroxy-propanoic acid (lactic acid) on the formation of the ATPS was studied, and the partition coefficient for this compound between the coexisting phases was found to be close to unity.
Preparation of a new ligand containing disulfide and imidazole donor groups. Structure of dibromo[5-(1,2,5-dithiazepan-5-ylmethylene)-4-methyl-2-ethylimidazole]cadmium(II). Cadmium-113 and carbon-13 NMR studies of complex formation (1984)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPreparation of a new ligand containing disulfide and imidazole donor groups. Structure of dibromo[5-(1,2,5-dithiazepan-5-ylmethylene)-4-methyl-2-ethylimidazole]cadmium(II). Cadmium-113 and carbon-13 NMR studies of complex formationGwendalyn C. Baumann, Michael F. Summers, John P. Hutchinson, Jon Zubieta, and Luigi G. MarzilliCite this: Inorg. Chem. 1984, 23, 20, 3104–3108Publication Date (Print):September 1, 1984Publication History Published online1 May 2002Published inissue 1 September 1984https://pubs.acs.org/doi/10.1021/ic00188a016https://doi.org/10.1021/ic00188a016research-articleACS PublicationsRequest reuse permissionsArticle Views139Altmetric-Citations16LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
THE EFFECTS OF DISULFIRAM ON EQUINE HEPATIC ALCOHOL DEHYDROGENASE AND ITS EFFICIENCY AGAINST ALCOHOLISM: VINEGAR EFFECT (1996)

The effects of disulfiram, its metabolite diethyldithiocarbamate and dithiodipyridine on alcohol metabolism of equine hepatic alcohol dehydrogenase (EC.1.1.1.1.) have been investigated. They were found to form enzyme-NAD(+)-inhibitor complexes which were competitive inhibitors of alcohol metabolism with dissociation constants (KEO,I) at pH 7.0 of 50 microM, 1.3 mM, and 260 microM, respectively. Acetate and vinegar behaved similarly in forming an inhibitory enzyme-NAD(+)-acetate ternary complex competitive with ethanol, with at pH 7.0 essentially identical dissociation constants of 4.0 mM and 3.8 mM, respectively. Disulfiram, diethyldithiocarbamate and dithiodipyridine were also found to exhibit affinity-labelling kinetics with liver alcohol dehydrogenase. The liver enzyme is chemically modified and inactivated in a similar manner by all three reagents via binary enzyme complexes with dissociation constants of 30 microM, 200 microM and 50 microM, respectively. Used as a protector against enzyme inactivation by DL-alpha-bromo-beta-(5-imidazolyl)-propionic acid, disulfiram, diethyl-dithiocarbamate and dithiodipyridine were found to form competitive binary enzyme complexes by binding to the active zinc site with KE,I values of 30 microM, 170 microM and 50 microM, respectively. The disulfiram and acetate binding to zinc results in the formation of binary and ternary complexes which inhibit alcohol metabolism at the enzyme level. Due to many unwanted side-effect), and the easy removal of its anti-drinking effects by drinking vinegar (vinegar effect), disulfiram may still be questioned as an effective drug against alcoholism.
Theta Coordinated Error-Driven Learning in the Hippocampus (2013)

The learning mechanism in the hippocampus has almost universally been assumed to be Hebbian in nature, where individual neurons in an engram join together with synaptic weight increases to support facilitated recall of memories later. However, it is also widely known that Hebbian learning mechanisms impose significant capacity constraints, and are generally less computationally powerful than learning mechanisms that take advantage of error signals. We show that the differential phase relationships of hippocampal subfields within the overall theta rhythm enable a powerful form of error-driven learning, which results in significantly greater capacity, as shown in computer simulations. In one phase of the theta cycle, the bidirectional connectivity between CA1 and entorhinal cortex can be trained in an error-driven fashion to learn to effectively encode the cortical inputs in a compact and sparse form over CA1. In a subsequent portion of the theta cycle, the system attempts to recall an existing memory, via the pathway from entorhinal cortex to CA3 and CA1. Finally the full theta cycle completes when a strong target encoding representation of the current input is imposed onto the CA1 via direct projections from entorhinal cortex. The difference between this target encoding and the attempted recall of the same representation on CA1 constitutes an error signal that can drive the learning of CA3 to CA1 synapses. This CA3 to CA1 pathway is critical for enabling full reinstatement of recalled hippocampal memories out in cortex. Taken together, these new learning dynamics enable a much more robust, high-capacity model of hippocampal learning than was available previously under the classical Hebbian model.
ARC-SAFE: Accelerated Response Semiconducting Contactors and Surge Attenuation for DC Electrical Systems Quarterly Review June 2021. (2022)

Abstract not provided.