gebhart/patrepeval huggingface dataset:
Small-molecule chemisorption in nickel disilicide: implications for heterogeneous catalysts (1983)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSmall-molecule chemisorption in nickel disilicide: implications for heterogeneous catalystsL. H. Dubois and R. G. NuzzoCite this: J. Am. Chem. Soc. 1983, 105, 3, 365–369Publication Date (Print):February 1, 1983Publication History Published online1 May 2002Published inissue 1 February 1983https://pubs.acs.org/doi/10.1021/ja00341a012https://doi.org/10.1021/ja00341a012research-articleACS PublicationsRequest reuse permissionsArticle Views140Altmetric-Citations18LEARN 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
A Population-Based Study of Device Eligibility, Use, and Reasons for Nonimplantation in Patients at Heart Function Clinics (2019)

We found that one-third of patients who met guideline criteria received an ICD and that documentation for nonimplantation was poor.
Molecular‐weight‐dependent redox cycling of humic substances of paddy soils over successive anoxic and oxic alternations (2019)

Abstract Humic substances (HSs) are critical to regulating methane cycling in temporary anoxic systems because their redox‐active functional groups can sustainably shuttle electrons from microorganisms to oxygen (O 2 ) over successive anoxic and oxic alternations. Whether the relative amount of these redox‐active functional groups involved in redox cycles is associated with the overall chemical structures of HS still remains poorly understood. In this study, variations in the reducing capacities (RCs) of HSs extracted from paddy soils were monitored over consecutive cycles of reduction by iron‐reducing microorganisms and oxidation by O 2 . Our results show that about 10–40% of the microbially reduced redox‐active moieties within HS, which were reoxidised by O 2 , cannot restore the same redox state as those before microbial reduction. The restoration extents of RCs of HSs after microbial reduction and O 2 reoxidation were greatly negatively correlated with average molecular weight (AMW). The microbially reduced HSs having large AMWs (&gt;1,000 Da) were more kinetically difficult to restore by O 2 from a reduced state to an oxidised state than were those having small AMWs (&lt;1,000 Da) possibly because the former, which underwent process of microbial reduction and O 2 reoxidation, were more easily sheltered by other parts of HS structures than were the latter. Nevertheless, the unsheltered redox‐active groups that accounted for about 50–85% in HSs can be fully reversible and sustainable to switch between a reduced state and an oxidised state over successive redox cycles. Our results can help to understand the redox dynamics of HSs in biogeochemical cycles in environments.
Finite Element-Based Pelvic Injury Metric Creation and Validation in Lateral Impact for a Human Body Model (2018)

Pelvic fractures are serious injuries resulting in high mortality and morbidity. The objective of this study is to develop and validate local pelvic anatomical, cross section-based injury risk metrics for a finite element (FE) model of the human body. Cross-sectional instrumentation was implemented in the pelvic region of the Global Human Body Models Consortium (GHBMC M50-O) 50th percentile detailed male FE model (v4.3). In total, 25 lateral impact FE simulations were performed using input data from cadaveric lateral impact tests performed by Bouquet et al. The experimental force-time data were scaled using five normalization techniques, which were evaluated using log rank, Wilcoxon rank sum, and correlation and analysis (CORA) testing. Survival analyses with Weibull distribution were performed on the experimental peak force (scaled and unscaled) and the simulation test data to generate injury risk curves (IRCs) for total pelvic injury. Additionally, IRCs were developed for regional injury using cross-sectional forces from the simulation results and injuries documented in the experimental autopsies. These regional IRCs were also evaluated using the receiver operator characteristic (ROC) curve analysis. Based on the results of all the evaluation methods, the equal stress equal velocity (ESEV) and ESEV using effective mass (ESEV-EM) scaling techniques performed best. The simulation IRC shows slight under prediction of injury in comparison to these scaled experimental data curves. However, this difference was determined not to be statistically significant. Additionally, the ROC curve analysis showed moderate predictive power for all regional IRCs.
Spectroscopic and magnetic characterization of the high potential iron-sulfur protein from Chromatium (1974)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSpectroscopic and magnetic characterization of the high potential iron-sulfur protein from ChromatiumMassimo Cerdonio, Run-Han Wang, Jill Rawlings, and Harry B. GrayCite this: J. Am. Chem. Soc. 1974, 96, 20, 6534–6535Publication Date (Print):October 1, 1974Publication History Published online1 May 2002Published inissue 1 October 1974https://pubs.acs.org/doi/10.1021/ja00827a057https://doi.org/10.1021/ja00827a057research-articleACS PublicationsRequest reuse permissionsArticle Views41Altmetric-Citations13LEARN 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
Broad-Spectrum Biosensor Capable of Detecting and Identifying Diverse Bacterial and Candida Species in Blood (2013)

We describe an assay which uses broad-spectrum, conserved-site PCR paired with mass spectrometry analysis of amplicons (PCR/electrospray ionization-mass spectrometry [ESI-MS]) to detect and identify diverse bacterial and Candida species in uncultured specimens. The performance of the assay was characterized using whole-blood samples spiked with low titers of 64 bacterial species and 6 Candida species representing the breadth of coverage of the assay. The assay had an average limit of detection of 100 CFU of bacteria or Candida per milliliter of blood, and all species tested yielded limits of detection between 20 and 500 CFU per milliliter. Over 99% of all detections yielded correct identifications, whether they were obtained at concentrations well above the limit of detection or at the lowest detectable concentrations. This study demonstrates the ability of broad-spectrum PCR/ESI-MS assays to detect and identify diverse organisms in complex natural matrices that contain high levels of background DNA.
Effects of HIV-1 Tat and Methamphetamine on Blood-Brain Barrier Integrity and FunctionIn Vitro (2017)

Human immunodeficiency (HIV) infection results in neurocognitive deficits in about one half of infected individuals. Despite systemic effectiveness, restricted antiretroviral penetration across the blood-brain barrier (BBB) is a major limitation in fighting central nervous system (CNS)-localized infection. Drug abuse exacerbates HIV-induced cognitive and pathological CNS changes. This study's purpose was to investigate the effects of the HIV-1 protein Tat and methamphetamine on factors affecting drug penetration across an <i>in vitro</i> BBB model. Factors affecting paracellular and transcellular flux in the presence of Tat and methamphetamine were examined. Transendothelial electrical resistance, ZO-1 expression, and lucifer yellow (a paracellular tracer) flux were aspects of paracellular processes that were examined. Additionally, effects on P-glycoprotein (P-gp) and multidrug resistance protein 1 (MRP-1) mRNA (via quantitative PCR [qPCR]) and protein (via immunoblotting) expression were measured; Pgp and MRP-1 are drug efflux proteins. Transporter function was examined after exposure of Tat with or without methamphetamine using the P-gp substrate rhodamine 123 and also using the dual P-gp/MRP-1 substrate and protease inhibitor atazanavir. Tat and methamphetamine elicit complex changes affecting transcellular and paracellular transport processes. Neither Tat nor methamphetamine significantly altered P-gp expression. However, Tat plus methamphetamine exposure significantly increased rhodamine 123 accumulation within brain endothelial cells, suggesting that treatment inhibited or impaired P-gp function. Intracellular accumulation of atazanavir was not significantly altered after Tat or methamphetamine exposure. Atazanavir accumulation was, however, significantly increased by simultaneous inhibition of P-gp and MRP. Collectively, our investigations indicate that Tat and methamphetamine alter aspects of BBB integrity without affecting net flux of paracellular compounds. Tat and methamphetamine may also affect several aspects of transcellular transport.
Atomic‐Scale Observation of Electrochemically Reversible Phase Transformations in SnSe2 Single Crystals (2018)

2D materials have shown great promise to advance next-generation lithium-ion battery technology. Specifically, tin-based chalcogenides have attracted widespread attention because lithium insertion can introduce phase transformations via three types of reactions-intercalation, conversion, and alloying-but the corresponding structural changes throughout these processes, and whether they are reversible, are not fully understood. Here, the first real-time and atomic-scale observation of reversible phase transformations is reported during the lithiation and delithiation of SnSe<sub>2</sub> single crystals, using in situ high-resolution transmission electron microscopy complemented by first-principles calculations. Lithiation proceeds sequentially through intercalation, conversion, and alloying reactions (SnSe<sub>2</sub> → Li<sub>x</sub> SnSe<sub>2</sub> → Li<sub>2</sub> Se + Sn → Li<sub>2</sub> Se + Li<sub>17</sub> Sn<sub>4</sub> ) in a manner that maintains structural and crystallographic integrity, whereas delithiation forms numerous well-aligned SnSe<sub>2</sub> nanodomains via a homogeneous deconversion process, but gradually loses the coherent orientation in subsequent cycling. Furthermore, alloying and dealloying reactions cause dramatic structural reorganization and thereby consequently reduce structural stability and electrochemical cyclability, which implies that deep discharge for Sn chalcogenide electrodes should be avoided. Overall, the findings elucidate atomistic lithiation and delithiation mechanisms in SnSe<sub>2</sub> with potential implications for the broader class of 2D metal chalcogenides.
Can compensated networks be an alternate solution to reduce the risk of ground faults causing forest fires? (2021)

Ground faults are the most common type of fault in a distribution network. The current seen by the protection relay during a ground fault event largely depends on the impedance of the fault circuit and applied system grounding principle. Therefore, detecting a ground fault effectively and accurately becomes challenging under certain circumstances. A small percentage of ground faults have a very large impedance. They are comparable to load impedance and consequently have very little fault current. These high-impedance faults do not pose imminent danger to power system equipment. However, they are a substantial threat to human beings and properties; people can touch or get close to conductors carrying large amounts of energy. Such `wire down' faults have resulted in causing wild forest fires in some parts of the world with large scale devastation of vegetation and property. There are various technologies available, which can limit the amount of energy released when a ground fault occurs and thus reduce the risk of fire ignition. This paper studies the properties of resonant grounding, also known as compensated networks, which is the prevailing technology globally to limit ground fault current magnitude. The paper also discusses a unique approach to detect ground faults based on Multifrequency admittance principle (67YN). 67YN provides selective directional ground fault protection for any high-impedance grounded networks, that is, for compensated, ungrounded and high resistance grounded systems. It can be applied for the ground fault protection of overhead lines and underground cables. The operation of 67YN is based on novel multi-frequency neutral admittance measurement utilizing Cumulative Phasor Summing (CPS) technique. This concept provides extremely secure, dependable and selective ground fault protection in compensated networks.
The application to real data of a technique for measuring the plane-wave reflection coefficient of the ocean bottom (1982)

A technique has been described for the measurement of the plane-wave reflection coefficient of a horizontally stratified ocean bottom [G. V. Frisk, A. V. Oppenheim, and D. R. Martinez, J. Acoust. Soc. Am. 68, 602–612 (1980)]. It is based on the exact Hankel transform relationship between the reflection coefficient and the bottom reflected field due to a point source, and was shown to yield excellent results with synthetically generated data for simple bottom examples. We apply the method to real 220-Hz data obtained using a near-bottom experimental geometry. The results of the Hankel transform inversion are compared with those obtained using an iteration of forward models technique. [Work supported by ONR, Johns Hopkins Applied Physics Laboratory, and NORDA.]
Early Experience of the World’s First Single-Room Gantry Mounted Active Scanning Proton Therapy System at an Integrated Cancer Center (2020)

<title>Abstract</title> Introduction Review the early experience with a single-room gantry mounted active scanning proton therapy system implemented in the modern era. Materials and Methods All patients treated with proton beam radiotherapy (PBT) were enrolled in an institutional review board-approved patient registry. Proton beam radiotherapy was delivered with a 250 MeV gantry mounted synchrocyclotron in a single-room integrated facility within the pre-existing cancer center. Demographic data, cancer diagnoses, treatment technique, and geographic patterns were obtained for all patients. Treatment plans were evaluated for mixed modality therapy. Insurance approval data was collected for all patients treated with PBT. Results A total of 132 patients were treated with PBT between March 2018 and June 2019. The most common oncologic subsites treated included the central nervous system (22%), gastrointestinal tract (20%), and genitourinary tract (20%). The most common histologies treated included prostate adenocarcinoma (19%), non-small cell lung cancer (10%), primary CNS gliomas (8%), and esophageal cancer (8%). Rationale for PBT treatment included limitation of dose to adjacent critical organs at risk (67%), reirradiation (19%), and patient comorbidities (11%). Patients received at least one x-ray fraction delivered as prescribed (36%) or less commonly due to unplanned machine downtime (34%). Concurrent systemic therapy was administered to 57 patients (43%). Twenty-six patients (20%) were initially denied insurance coverage and required peer-to-peers (65%), written appeals (12%), secondary insurance approval (12%), and comparison x-ray to proton plans (8%) for subsequent approval. Proton beam radiotherapy approval required a median of 17 days from insurance submission. Conclusion Incorporation of PBT into our existing cancer center allowed for multidisciplinary oncologic treatment of a diverse population of patients. Insurance coverage for PBT presents as a significant hurdle and improvements are needed to provide more timely access to necessary oncologic care.
An Efficient Route to Benzene and Phenol Derivatives via Ring-Closing Olefin Metathesis (2007)

Without the formation of inseparable regioisomers, ­various substituted phenol derivatives 2 and benzene derivatives 4 were prepared through RCM-tautomerization and RCM-dehydration protocols. A new synthetic route to precursors 1 and 3 enabled efficient access to these aromatic compounds.
Tuning the Adsorption Properties of UiO-66 via Ligand Functionalization (2012)

UiO-66 is one of the few known water-stable MOFs that are readily amenable to direct ligand substitution. In this work, UiO-66 has been synthesized with amino-, nitro-, methoxy-, and naphthyl-substituted ligands to impart polar, basic, and hydrophobic characteristics. Pure-component CO(2), CH(4), N(2), and water vapor adsorption isotherms were measured in the materials to study the effect of the functional group on the adsorption behavior. Heats of adsorption were calculated for each pure gas on each material. The results indicate that the amino-functionalized material possesses the best adsorption properties for each pure gas due to a combination of polarity and small functional group size. The naphthyl-functionalized material exhibits a good combination of inhibited water vapor adsorption and high selectivity for CO(2) over CH(4) and N(2).
Optical Nanofibers for Probing Cold Atoms (2009)

We present a novel technique for measuring the characteristics of a cloud of cold atoms by monitoring the spontaneous emission coupled into the guided mode of a nanofiber. We show that the fiber is very sensitive to the atoms close to its surface.
Accelerating drug development for neuroblastoma - New Drug Development Strategy: an Innovative Therapies for Children with Cancer, European Network for Cancer Research in Children and Adolescents and International Society of Paediatric Oncology Europe Neuroblastoma project (2017)

Neuroblastoma, the commonest paediatric extra-cranial tumour, remains a leading cause of death from cancer in children. There is an urgent need to develop new drugs to improve cure rates and reduce long-term toxicity and to incorporate molecularly targeted therapies into treatment. Many potential drugs are becoming available, but have to be prioritised for clinical trials due to the relatively small numbers of patients. Areas covered: The current drug development model has been slow, associated with significant attrition, and few new drugs have been developed for neuroblastoma. The Neuroblastoma New Drug Development Strategy (NDDS) has: 1) established a group with expertise in drug development; 2) prioritised targets and drugs according to tumour biology (target expression, dependency, pre-clinical data; potential combinations; biomarkers), identifying as priority targets ALK, MEK, CDK4/6, MDM2, MYCN (druggable by BET bromodomain, aurora kinase, mTORC1/2) BIRC5 and checkpoint kinase 1; 3) promoted clinical trials with target-prioritised drugs. Drugs showing activity can be rapidly transitioned via parallel randomised trials into front-line studies. Expert opinion: The Neuroblastoma NDDS is based on the premise that optimal drug development is reliant on knowledge of tumour biology and prioritisation. This approach will accelerate neuroblastoma drug development and other poor prognosis childhood malignancies.
Variational Justification of Cycle Spinning for Wavelet-Based Solutions of Inverse Problems (2014)

Cycle spinning is a widely used approach for improving the performance of wavelet-based methods that solve linear inverse problems. Extensive numerical experiments have shown that it significantly improves the quality of the recovered signal without increasing the computational cost. In this letter, we provide the first theoretical convergence result for cycle spinning for solving general linear inverse problems. We prove that the sequence of reconstructed signals is guaranteed to converge to the minimizer of some global cost function that incorporates all wavelet shifts.
Differential in vitro inhibitory activity against HIV-1 of alpha-(1-3)- and alpha-(1-6)-D-mannose specific plant lectins : Implication for microbicide development (2007)

These observations demonstrate higher inhibitory activities of the lectin plant HHA by comparison to GNA, on HIV adsorption to HEC-1A cell line, HIV transcytosis through HEC-1A cell line monolayer, HIV adsorption to MDDC and HIV transfer from MDDC to T cells, highlighting the potential interest of HHA as effective microbicide against HIV.
Intramolecular Photoaddition of Vinylogous Amides with Allenes: A Novel Approach to the Synthesis of Pyrroles. (2006)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Passive multivariable temperature and conductivity RFID sensors for single‐use biopharmaceutical manufacturing components (2011)

Abstract Single‐use biopharmaceutical manufacturing requires monitoring of critical manufacturing parameters. We have developed an approach for passive radio‐frequency identification (RFID)‐based sensing that converts ubiquitous passive 13.56 MHz RFID tags into inductively coupled sensors. We combine several measured parameters from the resonant sensor antenna with multivariate data analysis and deliver unique capability of multiparameter sensing and rejection of environmental interferences with a single sensor. We demonstrate here the integration of these RFID sensors into single‐use biopharmaceutical manufacturing components. We have tested these sensors for over 500 h for measurements of temperature and solution conductivity with the accuracy of 0.1°C (32–48°C range) and accuracy of 0.3–2.9 mS/cm (0.5–230 mS/cm range). We further demonstrate simultaneous temperature and conductivity measurements with an individual RFID sensor with the accuracy of 0.2°C (5–60°C range) and accuracy of 0.9 mS/cm (0.5–183 mS/cm range). Developed RFID sensors provide several important features previously unavailable from other single‐use sensing technologies such as the same sensor platform for measurements of physical, chemical, and biological parameters; multi‐parameter monitoring with individual sensors; and simultaneous digital identification. © 2011 American Institute of Chemical Engineers Biotechnol. Prog., 2011