gebhart/patrepeval huggingface dataset:
Three new amidophosphoric acid esters with a P(O)[OCH2C(CH3)2CH2O] segment: X-ray diffraction, DFT, AIM and Hirshfeld surface investigations of bi- and tri-furcated (three and four-center) hydrogen bond interactions (2020)

Abstract Structural and packing features of three new amidophosphoric acid esters having a common part X P(O)[OCH 2 C(CH 3 ) 2 CH 2 O], with X = [(CH 3 ) 3 CNH] ( 1 ), [(CH 3 ) 2 HCNH] ( 2 ) and [C 6 H 11 (CH 3 )N] ( 3 ), are investigated by single crystal X-ray diffraction. The results illustrate that the compounds 1 and 3 crystallize with one independent molecule in the asymmetric unit; whereas, for 2 , the compound crystallizes with three independent molecules in the asymmetric unit. The crystal structures are mostly stabilized via tri-furcated hydrogen bond interactions (C–H · · ·) 2 (N–H · · ·)O=P in 1 and (C–H · · ·) 3 O=P in 3 , while the stability is given by bi-furcated hydrogen bond interactions (C–H · · ·)(N–H · · ·)O=P in 2 . For a better understanding of the nature, strength and energetics associated with the formation of the quoted multi-center hydrogen bond interactions, the Natural Bond Order (NBO) method from Density Functional Theory (DFT) and a topological analysis by means of Atoms In Molecules (AIM) and Hirshfeld surface procedures were performed. These studies reveal that the studied multi-center hydrogen bond interactions of the type O · · · H are favoured in the crystal packing displaying enrichment ratios larger than unity. The detailed nature of the different interactions in these multi-center interactions is studied for the first time in such compounds. It is shown that the N–H · · · O interaction is rather non-covalent closed-shell whereas the C–H · · · O interaction is more van der Waals closed-shell. Stronger hydrogen bond interactions are observed for a lower multiple H-atom acceptor oxygen in three-center hydrogen bond interactions (C–H · · ·)(N–H · · ·)O=P of 2 than for four-center interactions in 1 [i.e. (C–H · · ·) 2 (N–H · · ·)O=P] and 3 [i.e. (C–H · · ·) 3 O=P]. The better H-atom acceptability of the O atom of P=O compared with the esteric O atom is explained by the richer s -character of the hybrid orbital of the O atom acceptor of P=O coupled with enhance of the polarization and charge. The obtained results are also confirmed by Molecular Electrostatic Potential (MEP).
NASICON‐Structured Materials for Energy Storage (2017)

The demand for electrical energy storage (EES) is ever increasing, which calls for better batteries. NASICON-structured materials represent a family of important electrodes due to its superior ionic conductivity and stable structures. A wide range of materials have been considered, where both vanadium-based and titanium-based materials are recommended as being of great interest. NASICON-structured materials are suitable for both the cathode and the anode, where the operation potential can be easily tuned by the choice of transition metal and/or polyanion group in the structure. NASICON-structured materials also represent a class of solid electrolytes, which are widely employed in all-solid-state ion batteries, all-solid-state air batteries, and hybrid batteries. NASICON-structured materials are reviewed with a focus on both electrode materials and solid-state electrolytes.
Table S3 from Immune Surveillance in Clinical Regression of Preinvasive Squamous Cell Lung Cancer (2023)

&lt;p&gt;Immune cell deconvolution from molecular data. Relative proportions of immune cell subtypes are predicted from gene expression data using the Danaher method, and from methylation data using methylCIBERSORT. Differences between progressive and regressive groups are reported here.&lt;/p&gt;
DeepABM: Scalable and Efficient Agent-Based Simulations Via Geometric Learning Frameworks - a Case Study For Covid-19 Spread and Interventions (2021)

We introduce DeepABM, a computational framework for agent-based modeling that leverages geometric message passing for simulating action and interactions over large agent populations. Using DeepABM allows scaling simulations to large agent populations in real-time and running them efficiently on GPU architectures. Using the DeepABM framework, we build DeepABM-COVID simulator to provide support for various non-pharmaceutical interventions (quarantine, exposure notification, vaccination, testing) for the COVID-19 pandemic, and can scale to populations of representative size in real-time on a GPU. DeepABM-COVID can model 200 million interactions (over 100,000 agents across 180 time-steps) in 90 seconds, and is made available online to help researchers with modeling and analysis of various interventions. We explain various components of the framework and discuss results from one research study to evaluate the impact of delaying the second dose of the COVID-19 vaccine in collaboration with clinical and public health experts.
The Reaction of Nickel with Dioximes (1963)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe Reaction of Nickel with DioximesMark A. Bambenek and R. T. PflaumCite this: Inorg. Chem. 1963, 2, 2, 289–292Publication Date (Print):April 1, 1963Publication History Published online1 May 2002Published inissue 1 April 1963https://doi.org/10.1021/ic50006a011RIGHTS & PERMISSIONSArticle Views192Altmetric-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 InReddit PDF (491 KB) Get e-Alerts Get e-Alerts
An incentive mechanism for message relaying in unstructured peer-to-peer systems (2007)

Distributed message relaying is an important function of a peer-to-peer system to discover service providers. Existing search protocols in unstructured peer-to-peer systems either create huge burden on communications or cause long response time. Moreover, these systems are also vulnerable to the free riding problem. In this paper we present an incentive mechanism that not only mitigates the free riding problem, but also achieves good system efficiency in message relaying for peer discovery. In this mechanism promised rewards are passed along the message propagation process. A peer is rewarded if a service provider is found via a relaying path that includes this peer. We provide some analytic insights to the symmetric Nash equilibrium strategies of this game, and an approximate approach to calculate this equilibrium. Experiments show that this incentive mechanism brings a system utility generally higher than breadth-first search and random walks, based on both the estimated utility from our approximate equilibrium and the utility generated from learning in the incentive mechanism.
The Synthesis, Properties and Dehydrohalogenation of Some α-Phenoxy and 2,4-Dichlorophenoxy Substituted Acid Chlorides (1951)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe Synthesis, Properties and Dehydrohalogenation of Some α-Phenoxy and 2,4-Dichlorophenoxy Substituted Acid ChloridesCarl M. Hill, Helen I. Schofield, Alfred S. Spriggs, and Mary E. HillCite this: J. Am. Chem. Soc. 1951, 73, 4, 1660–1662Publication Date (Print):April 1, 1951Publication History Published online1 May 2002Published inissue 1 April 1951https://pubs.acs.org/doi/10.1021/ja01148a073https://doi.org/10.1021/ja01148a073research-articleACS PublicationsRequest reuse permissionsArticle Views57Altmetric-Citations2LEARN 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
GRO Alpha and Interleukin-8 in Pneumocystis Carinii or Bacterial Pneumonia and Adult Respiratory Distress Syndrome (1995)

Polymorphonuclear leukocytes (PMN) are the predominant inflammatory cells recruited in acute lung injury. This study compares the concentration of interleukin-8 (IL-8) to those of GRO alpha, both of which are CXC chemokines, in bronchoalveolar lavage fluid (BALF) in three acute pathologic states: bacterial pneumonia (BPN); adult respiratory distress syndrome (ARDS); and Pneumocystis carinii pneumonia (PCP). Levels of both IL-8 and GRO alpha were below 5 pg/ml in 16 nonsmoking volunteers who served as controls. Despite more than twice as many neutrophils in the BALF of the BPN group (n = 12) than in the group with ARDS (n = 13), both groups had similar levels of IL-8, of 569 +/- 120 pg/ml and 507 +/- 96 pg/ml, respectively. The GRO alpha concentrations in the BPN and ARDS patients were respectively 3.3 and 3.4 times those of IL-8, reaching 1,870 +/- 314 pg/ml for the BPN and 1,699 +/- 377 for the ARDS patients. In the PCP group (n = 48, 45 human immunodeficiency virus [HIV]-positive, 3 HIV-negative), GRO alpha levels (897 +/- 172 pg/ml) were sevenfold higher than IL-8 levels (123 +/- 40 pg/ml). In all pathologic states there was a good correlation between GRO alpha and IL-8 (r = 0.53, p = 0.0001). GRO alpha or IL-8 both correlate with the absolute neutrophil number/ml when all groups were studied together (r = 0.52, p = 0.0001). Only in the PCP and ARDS groups did IL-8 correlate with the PMN number.(ABSTRACT TRUNCATED AT 250 WORDS)
Modified hydroxyethylmethacrylate hydrogels as a modelling tool for the study of cell-substratum interactions (1989)

The interactions between cells and their extracellular substratum environment are complex and difficult to study. Defined, synthetic substrata are valuable tools for experimentally determining the role of ionic and receptor-specific interactions between cells and their substrata. Hydrogels have been modified to contain stoichiometrically defined quantities of both positive and negative charge as well as specific proteins. These synthetic surfaces are water-rich matrices that possess hydroxyl groups, positive and negative ionized charges and native proteins, and can be considered as models of extracellular matrices on which an assessment of charge contribution and macromolecular content and specificity can be addressed with respect to cell-matrix interactions. This study shows that simple gels made of polyhydroxyethylmethacrylate do not support the spreading of cells but that the generation of copolymers by the addition of monomers that contain ionizable functional groups, will permit cell spreading. These simple modifications do not lead to cellular proliferation, yet when collagen is entrapped in the hydrogel substratum, proliferation occurs. The proliferative rate of cells grown on collagen-containing surfaces may be modified by altering the stoichiometry of the ionizable polymers used to make the surface. This study describes a synthetic, definable model for the study of cell-substratum interactions and control.
Comparison of Planar to Columnar Transformation of PtSi Layers on Si(001) and Si(111) Substrates in the Si Capping Layer Growth Process (1995)

Highly oriented PtSi layers were grown on both (001) and (111) Si substrates heated to 500° C by codeposition of Pt and Si with a stoichiometric ratio (Pt/Si=1/1) in an ultrahigh vacuum (UHV). On Si(001) substrates, the PtSi layer consists of two types of grains, PtSi(110)łSi(001) with azimuthal orientation of PtSi[001]łSi&lt;110&gt;, whereas it consists of three types of grains on Si(111) substrates, PtSi(010)łSi(111) with PtSi[001]łSi&lt;1\bar10&gt;. When Si was subsequently grown on the PtSi layer at temperatures lower than 400° C for Si(001) and lower than 500° C for Si(111), Si/PtSi/Si double heterostructures were obtained. However, above these temperatures, each grain forming the PtSi layer transformed into a columnar shape in the process of Si growth so as to minimize the contact area between PtSi and Si, and the space between the PtSi columns was filled epitaxially by Si.
Induction of CD4+CD25+regulatory T cells by copolymer-I through activation of transcription factor Foxp3 (2005)

Copolymer-I (COP-I) has unique immune regulatory properties and is a treatment option for multiple sclerosis (MS). This study revealed that COP-I induced the conversion of peripheral CD4+CD25- to CD4+CD25+ regulatory T cells through the activation of transcription factor Foxp3. COP-I treatment led to a significant increase in Foxp3 expression in CD4+ T cells in MS patients whose Foxp3 expression was reduced at baseline. CD4+CD25+ T cell lines generated by COP-I expressed high levels of Foxp3 that correlated with an increased regulatory potential. Furthermore, we demonstrated that the induction of Foxp3 in CD4+ T cells by COP-I was mediated through its ability to produce IFN-gamma and, to a lesser degree, TGF-beta1, as shown by antibody blocking and direct cytokine induction of Foxp3 expression in T cells. It was evident that in vitro treatment and administration with COP-I significantly raised the level of Foxp3 expression in CD4+ T cells and promoted conversion of CD4+CD25+ regulatory T cells in wild-type B6 mice but not in IFN-gamma knockout mice. This study provides evidence for the role and mechanism of action of COP-I in the induction of CD4+CD25+ regulatory T cells in general and its relevance to the treatment of MS.
Contribution of binaural masking release to improved speech intelligibility for different masker types (2018)

In situations with competing talkers or in the presence of masking noise, speech intelligibility can be improved by spatially separating the target speaker from the interferers. This advantage is generally referred to as spatial release from masking, and different mechanisms have been suggested to explain it. One proposed mechanism to benefit from spatial cues is the binaural masking release, which is purely stimulus-driven. According to this mechanism, the spatial benefit results from differences in the binaural cues of target and masker, which need to appear simultaneously in time and frequency to improve the signal detection. In an alternative proposed mechanism, the differences in the interaural cues improve the segregation of auditory streams, a process, which involves top-down processing rather than being purely stimulus-driven. Other than the cues that produce binaural masking release, the interaural cue differences between target and interferer required to improve stream segregation do not have to appear simultaneously in time and frequency. This study is concerned with the contribution of binaural masking release to spatial release from masking for three masker types that differ with respect to the amount of energetic masking they exert. Speech intelligibility was measured, employing a stimulus manipulation that inhibits binaural masking release and analysed with a metric to account for the number of better-ear glimpses. Results indicate that the contribution of the stimulus-driven binaural masking release plays a minor role while binaural stream segregation and the availability of glimpses in the better ear had a stronger influence on improving the speech intelligibility.
Maximizing outcomes in genitourinary cancers across the treatment continuum (2011)

Key controversies concerning the management of genitourinary cancers across the treatment continua were discussed at the second annual Interactive Genitourinary Cancer Conference (IGUCC) held in February 2010 in Athens, Greece. Prostate cancer is the most common form of cancer among western men and prevention strategies are needed. Trials evaluating 5α-reductase inhibitors have reported beneficial and clinically meaningful results, but uptake remains low for primary prostate cancer prevention. Prostate cancer detection programmes are also important as curative treatments for advanced disease are unavailable. Two large landmark randomized controlled trials reported conflicting results concerning screening efficacy and uncovered high levels of over-diagnosis and potential over-treatment. Tailored management strategies after diagnosis are important and predictive markers that distinguish between aggressive and indolent tumours are needed. The majority of newly diagnosed cases of prostate cancer are clinically localized. Active surveillance of favourable risk patients may be beneficial in the intermediate term, while an integrated approach of multi-modality therapy in patients with adverse features is recommended. The benefits of new technologies such as high-intensity focused ultrasound (HIFU) and robotic prostatectomy have not been established in prospective randomized trials vs current standards of care. A multidisciplinary approach is essential to evolving the management of advanced prostate cancer into a chronic disease paradigm. Docetaxel plus prednisone is the standard first-line chemotherapy for patients with metastatic castration-resistant prostate cancer (mCRPC), but the optimal timing of chemotherapy initiation has not been addressed in randomized clinical trials. Retrospective analyses suggest that asymptomatic patients with adverse prognostic factors for survival may also benefit from receiving chemotherapy. Bladder cancer is a common malignancy and the most expensive cancer per patient. Non-muscle-invasive bladder cancer is a heterogenous disease that requires dynamic multidisciplinary management. Aggressive early intervention may be beneficial in some cases. Platinum-based therapies represent the first-line standard of care for advanced bladder cancer, but the maximum benefit may have been reached for conventional chemotherapies and new strategies are needed. Several ongoing clinical trials are assessing combination chemotherapy and targeted therapy.
Accurate, scalable in-network identification of p2p traffic using application signatures (2004)

The ability to accurately identify the network traffic associated with different P2P applications is important to a broad range of network operations including application-specific traffic engineering, capacity planning, provisioning, service differentiation,etc. However, traditional traffic to higher-level application mapping techniques such as default server TCP or UDP network-port baseddisambiguation is highly inaccurate for some P2P applications.In this paper, we provide an efficient approach for identifying the P2P application traffic through application level signatures. We firstidentify the application level signatures by examining some available documentations, and packet-level traces. We then utilize the identified signatures to develop online filters that can efficiently and accurately track the P2P traffic even on high-speed network links.We examine the performance of our application-level identification approach using five popular P2P protocols. Our measurements show thatour technique achieves less than 5% false positive and false negative ratios in most cases. We also show that our approach only requires the examination of the very first few packets (less than 10packets) to identify a P2P connection, which makes our approach highly scalable. Our technique can significantly improve the P2P traffic volume estimates over what pure network port based approaches provide. For instance, we were able to identify 3 times as much traffic for the popular Kazaa P2P protocol, compared to the traditional port-based approach.
Accurate and Adaptive in Situ Fabrication of an Undulated Wall Using an on-Board Visual Sensing System (2018)

In this paper we present a system for the in situ <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">33</sup> In the context of building construction, “in situ” means that fabrication takes place at the structure's final location directly on the building site. fabrication of a full-scale, load-bearing, and doubly-curved steel reinforced concrete wall. Two complementary vision-based sensing systems provide the feedback necessary to build a 12 meter long steel wire mesh as part of a novel digital building process. The sensing systems provide estimates of the robot pose, referenced to the CAD model of the building site, as well as feedback on the accuracy of the built structure over the course of construction. This second piece of information is used to adapt the building plan to compensate for system inaccuracies and material deformations which occur during buildup. In this way, the structure was successfully built with 98% of the total geometry within 2 centimeters of the designed position. To the best of our knowledge, this is the largest structure which has been built by a mobile robot using solely vision-based sensing.
Platinum Resistance Determined by Cell Culture Drug Resistance Testing (CCDRT) Predicts for Patient Survival in Ovarian Cancer (2003)

Background: We examined the relationship between long-term patient survival in ovarian cancer and the results of cell culture drug resistance testing (CCDRT). Methods: The in vitro activity of cisplatin and carboplatin was determined through the concurrent application of two different cell death endpoints (cell membrane dye exclusion/ DISC assay and mitochondrial metabolism/ MTT assay) following 96 hour culture of 3 dimensional microclusters of tumor cells. Sensitive / Intermediate / Resistant cut-offs were defined by calculating means and standard deviations of training set assays performed on a wide variety of human tumors (including non-ovarian tumors) and were reported prospectively. These cut-offs were also recalculated retrospectively, based only on the datasets of ovarian cancer assays. Results: Specimens from previously-treated patients were significantly more resistant to platinums than were specimens from untreated patients, and this difference was most pronounced in the case of poorly-differentiated tumors. Well-differentiated tumors had significantly greater platinum resistance than poorly-differentiated tumors. In untreated patients (n = 115) resistance to cisplatin and (separately) to carboplatin correlated significantly with long-term survival, as reported prospectively. This relationship was strongest in