gebhart/patrepeval huggingface dataset:
Syntheses and X-ray Crystal Structures of α- and β-[XeO2F][SbF6], [XeO2F][AsF6], [FO2XeFXeO2F][AsF6], and [XeF5][SbF6]·XeOF4and Computational Studies of the XeO2F+and FO2XeFXeO2F+Cations and Related Species (2006)

Reactions of XeO2F2 with the strong fluoride ion acceptors, AsF5 and SbF5, in anhydrous HF solvent give rise to alpha- and beta-[XeO2F][SbF6], [XeO2F][AsF6], and [FO2XeFXeO2F][AsF6]. The crystal structures of alpha-[XeO2F][SbF6] and [XeO2F][AsF6] consist of trigonal-pyramidal XeO2F+ cations, which are consistent with an AXY2E VSEPR arrangement, and distorted octahedral MF6- (M = As, Sb) anions. The beta-phase of [XeO2F][SbF6] is a tetramer in which the xenon atoms of four XeO2F+ cations and the antimony atoms of four SbF6- anions are positioned at alternate corners of a cube. The FO2XeFXeO2F+ cations of [FO(2)XeFXeO2F][AsF6] are comprised of two XeO2F units that are bridged by a fluorine atom, providing a bent Xe- - -F- - -Xe arrangement. The angle subtended by the bridging fluorine atom, a xenon atom, and the terminal fluorine atom of the XeO2F group is bent toward the valence electron lone-pair domain on xenon, so that each F- - -XeO2F moiety resembles the AX(2)Y(2)E arrangement and geometry of the parent XeO2F2 molecule. Reaction of XeF6 with [H3O][SbF6] in a 1:2 molar ratio in anhydrous HF predominantly yielded [XeF5][SbF6].XeOF4 as well as [XeO2F][Sb2F11]. The crystal structure of the former salt was also determined. The energy-minimized, gas-phase MP2 geometries for the XeO2F+ and FO2XeFXeO2F+ cations are compared with the experimental and calculated geometries of the related species IO2F, TeO2F-, XeO2(OTeF5)+, XeO2F2, and XeO2(OTeF5)2. The bonding in these species has been described by natural bond orbital and electron localization function analyses. The standard enthalpies and Gibbs free energies for reactions leading to XeO2F+ and FO2XeFXeO2F+ salts from MF5 (M = As, Sb) and XeO2F2 were obtained from Born-Haber cycles and are mildly exothermic and positive, respectively. When the reactions are carried out in anhydrous HF at low temperatures, the salts are readily formed and crystallized from the reaction medium. With the exception of [XeO2F][AsF6], the XeO2F+ and FO2XeFXeO2F+ salts are kinetically stable toward dissociation to XeO2F2 and MF5 at room temperature. The salt, [XeO2F][AsF6], readily dissociates to [FO2XeFXeO2F][AsF6] and AsF5 under dynamic vacuum at 0 degree C. The decompositions of XeO2F+ salts to the corresponding XeF+ salts and O2 are exothermic and spontaneous but slow at room temperature.
ChemInform Abstract: A Combined Neutralization—Reionization Mass Spectrometric and Theoretical Study of Oxyallyl and Other Elusive [C3,H4,O] Neutrals. (1998)

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.
Combined photoacoustic and fluorescence label-free microscopy for the ex-vivo investigation of ocular tissues (2019)

We demonstrate the application of an extended field of view microscope, combining photoacoustic and fluorescence label-free contrast modalities, for the ex vivo investigation of ocular tissues including the ciliary muscle in healthy rabbit eyes and surgical biopsies of benign nevi removed from human eyes. In the case of ciliary muscle samples, the intrinsic photoacoustic and the glutaraldehyde-induced autofluorescence signals were observed to be spatially complementary, offering specific and high resolution morphological information as regards to Pars plana and Pars plicata ciliary body portions, iris, and zonule fiber strands. On the other hand, the biopsy samples presented a remarkable spatial overlap of the two signals in the nevus region, indicating a positive correlation between them. The bimodal microscopy approach presented in this work, has the potential to contribute in the understanding of the physiological function of the eye involving the detailed study of the ocular accommodation system and the elucidation of ageing effects such as presbyopia. Finally, the proposed hybrid diagnostic approach could be employed for the differentiation between benign and malignant intraocular tumors of the uvea in surgical biopsies, simplifying the relevant procedures for this purpose.
Bioprospecção do Sesquiterpeno zerumbona, para o tratamento de infecções cutâneas (2017)

Alterações patológicas cutâneas tais como impetigo, acne, erisipela, celulite e furúnculo são causados por agentes microbianos e afetam mais de 80% da população mundial. A maioria destas patologias é tratada topicamente com medicamentos que não apresentam custo-efetividade satisfatório. O presente estudo tem como objetivo principal avaliar o potencial terapêutico do sesquiterpeno zerumbona, principal princípio ativo do óleo essencial do Zingiber zerumbet (L.) Smith, contra infecções cutâneas. Para a obtenção da Zerumbona, primeiramente o óleo essencial foi submetido a hidrodestilação e seguido pelo processo de recristalização. Na sequência, análises cromatográficas e espectroscópicas foram realizadas para verificação do grau de pureza da Zerumbona obtida. A atividade antimicrobiana da Zerumbona contra os agentes microbianos Staphylococcus aureus, Staphylococcus epidermidis, Propionibacterium acnes e Candida albicans, foi verificada por meio dos métodos de difusão cavidade-placa e microdiluição. Para determinar a atividade bactericida da Zerumbona em relação ao tempo, foi realizada a cinética de morte microbiana. O óleo essencial obtido apresentou um alto teor de Zerumbona (87,95%), que após passar pelo processo de recristalização, o grau de pureza da substância aumentou para 98,79%, apresentando uma excelente atividade antimicrobiana contra S. aureus (CIM ≥250μg/mL e CBM ≥500μg/mL), P. acnes (CIM ≥125μg/mL e CBM ≥250μg/mL) e a levedura C. albicans (CIM ≥100μg/mL e CFM ≥200μg/mL). A substância natural apresentou efeito bactericida entre 6 e 12 horas para S. aureus e em 30 horas para P. acnes. A zerumbona foi capaz de inibir a formação de biofilme (S. aureus) a partir de ≥500μg/mL. O potencial citotóxico e antioxidante foi avaliado através de ensaios in vitro, em cultura de células. A Zerumbona não apresentou efeitos citotóxicos em células eucarióticas normais (VERO). A Capacidade Antioxidante Equivalente ao Trolox (TEAC) apresentou excelente atividade antioxidante (100μg/mL equivalente á 0,65 nM/mL Trolox). Os resultados apresentados no referido trabalho, elucidam o potencial antimicrobinado da Zerumbona, frente aos microrganismos mais frequentes em infecções cutâneas. Tais dados podem auxiliar no desenvolvimento de fitotrerápicos de uso tópico, direcionados a infecções de pele, a partir do princípio biotativo Zerumbona. Isto poderá servir de base para a geração de esquemas terapêuticos mais seguros, eficazes e de baixo custo.
Young's modulus of 2D materials extracted from their nonlinear dynamic response (2017)

Due to their atomic-scale thickness, the resonances of 2D material membranes show signatures of nonlinearities at amplitudes of only a few nanometers. While the linear dynamics of membranes is well understood, the exact relation between the nonlinear response and the resonator's material properties has remained elusive. In this work, we propose a method to determine the Young's modulus of suspended 2D material membranes from their nonlinear dynamic response. The method is demonstrated by interferometric measurements on graphene and MoS2 resonators, which are electrostatically driven into the nonlinear regime at multiple driving forces. It is shown that a set of response curves can be fitted by the solutions of the Duffing equation using only one fit parameter, from which the Young's modulus is extracted using membrane theory. Our method is fast, contactless, and provides a platform for high-frequency characterization of the mechanical properties of 2D materials.
Control of discrete-time systems via online learning and estimation (2006)

Online learning state trajectory control for discrete-time systems is considered herein. An improvement to a method previously developed that learns the control input as a function of the desired states for state trajectory tracking control is investigated. The improved method consists of letting the learned control effort be split into a nominal map and a learned adjustment in addition to online estimation of control parameters such as the system's Jacobian and controllability matrix. The method employs the technique known as block-input state realization to transform the system to one with equal number of states and inputs. A neural network structure called the nodal link perceptron network learns the adjustment of the nominal map as a function of the desired states while the Jacobian matrix and the controllability matrix are estimated online via a modified Broyden method to achieve the overall control input. The proposed controller is explored through three different simulations. The method can successfully deal with the nonlinearities and uncertainties inherent in complex systems. This method serves as a model free alternative for intelligent control of complex and uncertain systems
Combinatorial Protein Chemistry- New Proteins With Selective Binding (2000)

Conference Abstract| October 01 2000 Combinatorial Protein Chemistry- New Proteins With Selective Binding Mathias Uhlén; Mathias Uhlén 1Department of Biotechnology, Royal Institute of Technology (KTH) S-100 44 Stockholm, Sweden Search for other works by this author on: This Site PubMed Google Scholar Per-Åke Nygren Per-Åke Nygren 1Department of Biotechnology, Royal Institute of Technology (KTH) S-100 44 Stockholm, Sweden Search for other works by this author on: This Site PubMed Google Scholar Author and article information Publisher: Portland Press Ltd Online ISSN: 1470-8752 Print ISSN: 0300-5127 © 2000 Biochemical Society2000 Biochem Soc Trans (2000) 28 (5): A125. https://doi.org/10.1042/bst028a125b Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Facebook Twitter LinkedIn Email Cite Icon Cite Get Permissions Citation Mathias Uhlén, Per-Åke Nygren; Combinatorial Protein Chemistry- New Proteins With Selective Binding. Biochem Soc Trans 1 October 2000; 28 (5): A125. doi: https://doi.org/10.1042/bst028a125b Download citation file: Ris (Zotero) Reference Manager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentAll JournalsBiochemical Society Transactions Search Advanced Search This content is only available as a PDF. © 2000 Biochemical Society2000 Article PDF first page preview Close Modal You do not currently have access to this content.
Analytic derivation and evaluation of a state-trajectory control law for DC-to-DC converters (1977)

Mathematical representations of a state-plane switching boundary employed in a state-trajectory control law for dc-to-dc converters are derived. Several levels of approximation to the switching boundary equations are presented, together with an evaluation of the effects of nonidea1 operating characteristics of converter power stage components on the shape and location of the boundary and the behavior of a system controlled by it. Digital computer simulations of dc-to-dc converters operating in conjunction with each of these levels of control are presented and evaluated with respect to changes in transient and steady-state performance.
Identification of selective inhibitors of RET and comparison with current clinical candidates through development and validation of a robust screening cascade (2016)

<ns4:p>RET (REarranged during Transfection) is a receptor tyrosine kinase, which plays pivotal roles in regulating cell survival, differentiation, proliferation, migration and chemotaxis. Activation of RET is a mechanism of oncogenesis in medullary thyroid carcinomas where both germline and sporadic activating somatic mutations are prevalent.</ns4:p> <ns4:p>At present, there are no known specific RET inhibitors in clinical development, although many potent inhibitors of RET have been opportunistically identified through selectivity profiling of compounds initially designed to target other tyrosine kinases. Vandetanib and cabozantinib, both multi-kinase inhibitors with RET activity, are approved for use in medullary thyroid carcinoma, but additional pharmacological activities, most notably inhibition of vascular endothelial growth factor - VEGFR2 (KDR), lead to dose-limiting toxicity. The recent identification of RET fusions present in ~1% of lung adenocarcinoma patients has renewed interest in the identification and development of more selective RET inhibitors lacking the toxicities associated with the current treatments.</ns4:p> <ns4:p> In an earlier publication [Newton <ns4:italic>et al</ns4:italic> , 2016; 1] we reported the discovery of a series of 2-substituted phenol quinazolines as potent and selective RET kinase inhibitors. Here we describe the development of the robust screening cascade which allowed the identification and advancement of this chemical series. Furthermore we have profiled a panel of RET-active clinical compounds both to validate the cascade and to confirm that none display a RET-selective target profile. </ns4:p>
Synergy on Surfaces: Anti-Biofouling Interfaces Using Surface-Attached Antimicrobial Peptides PGLa and Magainin-2 (2018)

The synergistic effect of antimicrobial compounds is an important phenomenon that can increase the potency of treatment and might be useful against the formation of biofilms on surfaces. A strong inhibition of microbial viability on surfaces can potentially delay the development of biofilms on treated surfaces, thereby enhancing the performance of water-purification technologies and medical devices, for example, to prevent hospital-acquired infections. However, the synergistic effects of surface-immobilized antimicrobial peptides (AMPs) have not yet been reported. Here, we demonstrate the synergistic antimicrobial effects of the AMPs PGLa and magainin-2 on modified reverse-osmosis (RO) membranes. These AMPs are known to act synergistically in the free state, but their antimicrobial synergistic effects have not yet been reported in a surface-immobilized state. The AMPs were functionalized with alkyne linkers and covalently attached to RO membranes modified with azides, using a click chemistry reaction. The resulting RO membranes showed reduced contact angles, indicating increased wettability. X-ray photoelectron spectroscopy confirmed the presence of the two peptides on the membranes via changes in the amounts of carbon, oxygen, and sulfur, which led to an increased S/C ratio, probably because of the sulfur present in the methionine residue of the peptides. The synergistic activity was measured with the free peptides in solution and covalently bound on RO membrane surfaces by observing increased leakage of 5(6)-carboxyfluorescein from large unilamellar vesicles. The synergistic antimicrobial activity against Pseudomonas aeruginosa was observed using surface-activity assays, where the AMP-modified RO membranes showed an effective inhibition of P. aeruginosa biofilm growth, as compared with unmodified membranes. An enhanced activity of antimicrobials on surfaces might lead to potent antimicrobial surfaces, which could result in more fouling-resistant water-treatment membranes.
The Cdc42 GTPase-associated proteins Gic1 and Gic2 are required for polarized cell growth in Saccharomyces cerevisiae (1997)

BEM2 of Saccharomyces cerevisiae encodes a Rho-type GTPase-activating protein that is required for proper bud site selection at 26 degrees C and for bud emergence at elevated temperatures. We show here that the temperature-sensitive growth phenotype of bem2 mutant cells can be suppressed by increased dosage of the GIC1 gene. The Gic1 protein, together with its structural homolog Gic2, are required for cell size and shape control, bud site selection, bud emergence, actin cytoskeletal organization, mitotic spindle orientation/positioning, and mating projection formation in response to mating pheromone. Each protein contains a CRIB (Cdc42/Rac-interactive binding) motif and each interacts in the two-hybrid assay with the GTP-bound form of the Rho-type Cdc42 GTPase, a key regulator of polarized growth in yeast. The CRIB motif of Gic1 and the effector domain of Cdc42 are required for this association. Genetic experiments indicate that Gic1 and Gic2 play positive roles in the Cdc42 signal transduction pathway, probably as effectors of Cdc42. Subcellular localization studies with a functional green fluorescent protein-Gic1 fusion protein indicate that this protein is concentrated at the incipient bud site of unbudded cells, at the bud tip and mother-bud neck of budded cells, and at cortical sites on large-budded cells that may delimit future bud sites in the two progeny cells. The ability of Gic1 to associate with Cdc42 is important for its function but is apparently not essential for its subcellular localization.
Thyroid Function in Patients with Chronic Renal Failure Submitted to Hemofiltration (1984)

Serum total and free T4 and T3, TSH and TBG were measured in 9 patients with chronic renal failure before, during and after a single hemofiltration (HF) treatment. No significant changes of their serum concentrations were observed. Significant amounts of TSH, free T4 and free T3 were detected in hemofiltrate, while total thyroid hormones and TBG were undetectable. These data indicate that free thyroid hormones and TSH can cross the membranes used for HF treatment, although no significant changes on their serum concentrations occur during a single HF. Nevertheless, it is suggested that evaluation of pituitary-thyroid function is needed in patients submitted to long-term HF therapy.
Optimization of Field Assisted Sintering Technique in Fabrication of Nanostructured BaTiO3. (2013)

Abstract not provided.
Emergency and Prolonged Use of Intravenous Etomidate to Control Hypercortisolemia in a Patient with Cushing’s Syndrome and Peritonitis (1998)

We report the emergency and prolonged use of etomidate to control circulating cortisol levels in a patient with Cushing's syndrome secondary to ectopic ACTH production from a pancreatic islet cell tumor. Duodenal perforation and peritonitis complicated an episode of salmonella septicemia, precluding the use of conventional oral medical adrenolytic therapy. Endogenous cortisol secretion was abolished by parenteral etomidate, allowing serum cortisol levels to be controlled with an iv infusion of hydrocortisone over an 8-week period in intensive care before definitive pancreatic surgery.
Clad periodic permanent magnet structures for electron-beam guidance (1986)

Permanent magnet structures are described in which the longitudinally oriented flux supply magnets of a conventional periodic structure are clad with radially oriented toroidal magnets shaped to confine the flux to the working space of the stack bore. Such cladding increases the useful magnetic field in the working space and eliminates potentially deleterious stray fields outside of the structure. Alternatively, cladding can be used to reduce the mass and bulk of the magnet stack without a reduction in field strength. Similar cladding techniques can be used for constant field sources, as well as for other periodic structures such as wigglers. These are compared with their conventional counterparts with regard to field-produced per unit structural mass.
A Heuristic Algorithm and Simulation Approach to Relative Location of Facilities (1963)

This paper presents a new methodology for determining suboptimum relative location patterns for physical facilities. It presents a computer program governed by an algorithm which determines how relative location patterns should be altered to obtain sequentially the most improved pattern with each change, commands their alteration, evaluates the results of alterations, and identifies the sub-optimum relative location patterns. 3 The computer output yields a block diagramatic layout of the facility areas, and the areas need not be equal. 4 A manufacturing plant layout example is used because the methodology is well illustrated by reference to some kind of example, and this one is commonly known. The methodology itself, however, is general in nature and not restricted to such applications.
Anionic phosphorus as a nucleophile. An anion chain Arbuzov mechanism (1987)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAnionic phosphorus as a nucleophile. An anion chain Arbuzov mechanismL. Gene Spears Jr., Andrew Liao, David Minsek, and Edward S. LewisCite this: J. Org. Chem. 1987, 52, 1, 61–64Publication Date (Print):January 1, 1987Publication History Published online1 May 2002Published inissue 1 January 1987https://pubs.acs.org/doi/10.1021/jo00377a009https://doi.org/10.1021/jo00377a009research-articleACS PublicationsRequest reuse permissionsArticle Views570Altmetric-Citations12LEARN 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-Alertsclose Get e-Alerts
Using adult mosquitoes to transfer insecticides to Aedes aegypti larval habitats (2009)

Vector control is a key means of combating mosquito-borne diseases and the only tool available for tackling the transmission of dengue, a disease for which no vaccine, prophylaxis, or therapeutant currently exists. The most effective mosquito control methods include a variety of insecticidal tools that target adults or juveniles. Their successful implementation depends on impacting the largest proportion of the vector population possible. We demonstrate a control strategy that dramatically improves the efficiency with which high coverage of aquatic mosquito habitats can be achieved. The method exploits adult mosquitoes as vehicles of insecticide transfer by harnessing their fundamental behaviors to disseminate a juvenile hormone analogue (JHA) between resting and oviposition sites. A series of field trials undertaken in an Amazon city (Iquitos, Peru) showed that the placement of JHA dissemination stations in just 3-5% of the available resting area resulted in almost complete coverage of sentinel aquatic habitats. More than control mortality occurred in 95-100% of the larval cohorts of Aedes aegypti developing at those sites. Overall reductions in adult emergence of 42-98% were achieved during the trials. A deterministic simulation model predicts amplifications in coverage consistent with our observations and highlights the importance of the residual activity of the insecticide for this technique.