gebhart/patrepeval huggingface dataset:
Polyisobutylene‐containing block polymers by sequential monomer addition. IV. New triblock thermoplastic elastomers comprising high Tg styrenic glassy segments: Synthesis, characterization and physical properties (1992)

Abstract New linear triblock thermoplastic elastomers (TPEs) comprising a rubbery polyisobutylene (PIB) midblock flanked by two glassy endblocks of various styrenic polymers have been synthesized by living carbocationic polymerization by sequential monomer addition. First isobutylene (IB) was polymerized by a bifunctional tert ‐ether (dicumyl methyl ether) initiator in conjunction with TiCl 4 coinitiator in CH 3 Cl/methylcyclohexane (MeCHx) (40/60 v/v) solvent mixtures at −80°C. After the living narrow molecular weight distribution PIB midblock ( $\[\bar M_n\]$ = 1.1–1.2) has reached the desired molecular weight, the styrenic monomers together with an electron pair donor (ED) and a proton trap (di‐ tert ‐butylpyridine, DtBP) were added to start the blocking of the glassy segments from the living ⊕PIB⊕ chain ends. While p ‐methylstyrene (pMeSt), p ‐ t ‐butylstyrene (ptBuSt) and indene (In) gave essentially 100% blocking to the corresponding glassy endblocks, the blocking of 2,4,6‐trimethylstyrene (TMeSt) and α‐methylstyrene (αMeSt) were ineffective. Uncontrolled initiation by protic impurities was prevented by the use of DtBP. In the simultaneous presence of DtBP and the strong ED N , N ‐dimethylacetamide (DMA), TPEs with good mechanical properties (10–20 MPa tensile strength, 300–600% elongation) were prepared. The products exhibit a low and a high temperature T g characteristic of phase separated rubbery and glassy domains. The service temperature of these new TPEs exceeds that of PSt–PIB–PSt triblock copolymers due to the higher T g s (PpMeSt = 108, PptBuSt = 142 and PIn = 220–240°C) of the outer blocks. The T g of the glassy blocks can be regulated by copolymerizing two styrene derivatives; a triblock copolymer with outer blocks of poly( pt ‐butylstyrene‐co‐indene) showed a single glassy transition T g = +165°C, i.e., in between that of PptBuSt and PIn. Virgin TPEs have been repeatedly compression molded without deterioration of physical properties. The high melt flow index obtained with a TPE containing PptBuSt endblocks suggests superior processability relative to those with PSt end‐blocks. The tensile strength retention at 60°C of the former TPE is far superior to that of a PSt–PIB–PSt triblock of similar composition.
Feed Forward Neural Network for Predicting Enantioselectivity of the Asymmetric Negishi Reaction (2023)

Density functional theory (DFT) has become a popular method to model transition state (TS) energies to predict enantioselectivity, but the associated errors present challenges. Machine learning has emerged as a powerful tool to model enantioselectivity but generally requires large datasets for training. Herein, we describe the development of a feed forward neural network for predicting enantioselectivity of the Negishi cross-coupling reaction with Boehringer Ingelheim (BI)-type phosphines. The selectivity predicted from DFT TS energies is upgraded through the neural network based on input features including geometries, electron population, and dispersive interactions. This new approach to modeling enantioselectivity is compared to conventional approaches, including exclusive use of DFT energies, and data science approaches using features from ligands or ground states with simple neural network architectures.
Downregulation of Elovl5 promotes breast cancer metastasis through a lipid-droplet accumulation-mediated induction of TGF-β receptors (2022)

Metastatic breast cancer cannot be cured, and alteration of fatty acid metabolism contributes to tumor progression and metastasis. Here, we were interested in the elongation of very long-chain fatty acids protein 5 (Elovl5) in breast cancer. We observed that breast cancer tumors had a lower expression of Elovl5 than normal breast tissues. Furthermore, low expression of Elovl5 is associated with a worse prognosis in ER<sup>+</sup> breast cancer patients. In accordance with this finding, decrease of Elovl5 expression was more pronounced in ER<sup>+</sup> breast tumors from patients with metastases in lymph nodes. Although downregulation of Elovl5 expression limited breast cancer cell proliferation and cancer progression, suppression of Elovl5 promoted EMT, cell invasion and lung metastases in murine breast cancer models. The loss of Elovl5 expression induced upregulation of TGF-β receptors mediated by a lipid-droplet accumulation-dependent Smad2 acetylation. As expected, inhibition of TGF-β receptors restored proliferation and dampened invasion in low Elovl5 expressing cancer cells. Interestingly, the abolition of lipid-droplet formation by inhibition of diacylglycerol acyltransferase activity reversed induction of TGF-β receptors, cell invasion, and lung metastasis triggered by Elovl5 knockdown. Altogether, we showed that Elovl5 is involved in metastasis through lipid droplets-regulated TGF-β receptor expression and is a predictive biomarker of metastatic ER<sup>+</sup> breast cancer.
CODEX, a neural network approach to explore signaling dynamics landscapes (2021)

Current studies of cell signaling dynamics that use live cell fluorescent biosensors routinely yield thousands of single-cell, heterogeneous, multi-dimensional trajectories. Typically, the extraction of relevant information from time series data relies on predefined, human-interpretable features. Without a priori knowledge of the system, the predefined features may fail to cover the entire spectrum of dynamics. Here we present CODEX, a data-driven approach based on convolutional neural networks (CNNs) that identifies patterns in time series. It does not require a priori information about the biological system and the insights into the data are built through explanations of the CNNs' predictions. CODEX provides several views of the data: visualization of all the single-cell trajectories in a low-dimensional space, identification of prototypic trajectories, and extraction of distinctive motifs. We demonstrate how CODEX can provide new insights into ERK and Akt signaling in response to various growth factors, and we recapitulate findings in p53 and TGFβ-SMAD2 signaling.
Supplementary Figure 3 from The Dual PI3K/mTOR Pathway Inhibitor GDC-0084 Achieves Antitumor Activity in <i>PIK3CA</i>-Mutant Breast Cancer Brain Metastases (2023)

&lt;p&gt;Photomicrographs illustrating p-MEK1/2 (Ser221) and p-p44/42 MAPK (Erk1/2) (Thr202/Tyr204) expression in mouse brains harboring either JIMT-1 BR-3 or MDA-MB-231 BrM2 intracranial tumors, stratified by treatment with sham or GDC-0084.&lt;/p&gt;
Identification and determination of millimolar C6-C8 alkenes in the corresponding alkanes (1986)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTIdentification and determination of millimolar C6-C8 alkenes in the corresponding alkanesMark J. Burk, Robert H. Crabtree, and Dominic V. McGrathCite this: Anal. Chem. 1986, 58, 4, 977–978Publication Date (Print):April 1, 1986Publication History Published online1 May 2002Published inissue 1 April 1986https://pubs.acs.org/doi/10.1021/ac00295a069https://doi.org/10.1021/ac00295a069research-articleACS PublicationsRequest reuse permissionsArticle Views142Altmetric-Citations7LEARN 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
Attempts to characterize the NBD heterodimer of MRP1: transient complex formation involves Gly771 of the ABC signature sequence but does not enhance the intrinsic ATPase activity (2005)

MRP1 (multidrug-resistance-associated protein 1; also known as ABCC1) is a member of the human ABC (ATP-binding cassette) transporter superfamily that confers cell resistance to chemotherapeutic agents. Considering the structural and functional similarities to the other ABC proteins, the interaction between its two NBDs (nucleotide-binding domains), NBD1 (N-terminal NBD) and NBD2 (C-terminal NBD), is proposed to be essential for the regulation of the ATP-binding/ATP-hydrolysis cycle of MRP1. We were interested in the ability of recombinant NBD1 and NBD2 to interact with each other and to influence ATPase activity. We purified NBD1 (Asn642-Ser871) and NBD2 (Ser1286-Val1531) as soluble monomers under native conditions. We measured extremely low intrinsic ATPase activity of NBD1 (10(-5) s(-1)) and NBD2 (6x10(-6) s(-1)) and no increase in the ATP-hydrolysis rate could be detected in an NBD1+NBD2 mixture, with concentrations up to 200 microM. Despite the fact that both monomers bind ATP, no stable NBD1.NBD2 heterodimer could be isolated by gel-filtration chromatography or native-PAGE, but we observed some significant modifications of the heteronuclear single-quantum correlation NMR spectrum of 15N-NBD1 in the presence of NBD2. This apparent NBD1.NBD2 interaction only occurred in the presence of Mg2+ and ATP. Partial sequential assignment of the NBD1 backbone resonances shows that residue Gly771 of the LSGGQ sequence is involved in NBD1.NBD2 complex formation. This is the first NMR observation of a direct interaction between the ABC signature and the opposite NBD. Our study also reveals that the NBD1.NBD2 heterodimer of MRP1 is a transient complex. This labile interaction is not sufficient to induce an ATPase co-operativity of the NBDs and suggests that other structures are required for the ATPase activation mechanism.
Efficient Query Refinement in Multimedia Databases (2005)

ness of query refinement, there exists no work on how to implement query refinement efficiently in a multimedia database system. We explore such approaches in this paper. The proposed approaches are independent of the refinement model used (e.g., QPM or QEX) and hence work for all models. We assume that each feature is indexed using a multidimensional index structure (called the F-index). A similarity query can then be answered by executing a k-NN query on each F-index and merging the individual feature results to obtain the final results. Our first contribution is to generalize the notion of similarity queries and allow multiple query points in a query (referred to as multipoint queries). This generalization is necessary since refined queries cannot be always expressed as single point queries. We develop a k-NN algorithm that can handle multipoint queries and show that it performs significantly better than the naive approach (i.e. execute several single point queries using the ‘single-point’ kNN algorithm and merge results). The second and the main problem we address is how to evaluate refined queries efficiently. A naive approach is to treat a refined query just like a starting query and execute it from scratch. We observe that the refined queries are not modified drastically from one iteration to another. As a result, most of the execution cost can be saved by appropriately exploiting the information generated during the previous iterations of the query. We propose 3 techniques, namely Reuse (RU), Full Reconstruction (FR) and Selective Reconstruction (SR), that cache certain information during the execution of the previous iterations of the query and use that cached information to save the execution cost (both I/O and CPU costs) during the subsequent iterations. We define notions of I/O optimality and CPU optimality and evaluate the three schemes in terms of these criteria. We find that although RU is significantly better than the naive approach, it is not I/O optimal. So we propose FR and show that it is I/O optimal and is significantly more efficient compared to RU. However, FR is not CPU optimal. We finally propose SR and show that SR, like FR, is I/O optimal, and, under certain conditions, also CPU optimal. Even though SR is not always CPU optimal, it is always better than FR in terms of CPU cost and is hence the best technique. Our experiments show that the above techniques speed up the execution of refined queries by several orders of magnitude compared to the naive technique.
ChemInform Abstract: Consecutive Catalytic Hydroformylation‐Acetalization of Glucal Derivatives with Rhodium—Phosphite and Pyridinium Toluene‐p‐sulfonate as Catalysts: The Influence of Protecting Groups. (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.
Narrow-band coherent Rayleigh scattering in a flame (2006)

We report on the application of coherent Rayleigh scattering (CRS) to the measurement of temperature in a flame using narrow bandwidth pump and probe fields. High resolution measurements of the line shape were used to derive flame temperature based on fits to the line shape. An uncertainty in the temperature of 3% was determined utilizing a CRS model that includes scattering from a multicomponent gas for the first time. This model was validated at room temperature for a mixture of atomic and molecular species.
Performances analysis of a 5 GHz rectenna for indoor applications (2013)

This paper describes the design and analysis of a rectifier-antenna for indoor applications. In the proposed work, first a pentagonal patch antenna is designed at centre frequency 5 GHz and simulated using Ansoft HFSS and found that the antenna resonates at three frequency 5 GHz, 10.7 GHz and 14.2 GHz. In the next step a low pass filter cornered around 5 GHz is designed and integrated with a pentagonal patch antenna. Analysis of obtained structure shows only one resonance at 5 GHz with a return loss of around 15 dB hence eliminates two harmonics of 10.7 GHz and 14.2 GHz. Then for rectification purpose, a Schottky diode is characterized at 5 GHz as well as the proposed antenna structure is matched to the optimal complex impedance, consequently the RF-DC conversion efficiency of the rectenna is found to be 54%.
ChemInform Abstract: First Synthesis of (‐)‐Neplanocin C. (2000)

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.
Wave monitor for glitch detection and skew adjusting in high-speed DAC (2015)

In this paper, a high-speed current steering DAC with wave monitor circuit is proposed. Comparator-based wave monitor circuit makes it possible to detect a glitch and adjust the skew of each bit digital signal. Fabricated test chip in 40nm-CMOS demonstrates the performance improvement by glitch detection and skew adjusting. At 1GS/sec, the fabricated DAC achieved ENOB of 5.17 bit and power consumption of 2.38mW.
N-fingers: a finger-based interaction technique for wearable computers (2001)

Abstract With wearable computers, using the computer is usually just an occasional, secondary task. The user may operate the computer while walking in the street or sitting in a bus. Hence, efficient and natural methods for controlling the user interface while still being able to interact with the environment are needed. We present a way to navigate and control the wearable computer user interface with fingers. Our approach, called N-Fingers, replaces the conventional desktop pointing devices and the metaphors associated with them, and allows the user to control the user interface in an easy, natural way by using the thumb to push ‘buttons’ located in the other fingers. An initial qualitative usability evaluation showed N-Fingers to be a promising interaction technique for wearable computers. It is intuitive to use and easy to learn. It can also be used without looking at the hand. The subsequent quantitative evaluation proved that N-Fingers is a fast, accurate technique that can be learned very quickly. N-Fingers enables the wearable computer user interface designers to develop interfaces that are efficient to use yet unobtrusive.
Wristband identification error reporting in 712 hospitals. A College of American Pathologists' Q-Probes study of quality issues in transfusion practice. (1993)

The correct wristband identification of patients is essential to prevent acute, hemolytic transfusion reactions from incompatible transfusion. We compared wristband identification errors for 712 hospitals. Phlebotomists checked patient wristbands on 2,463,727 occasions, finding 67,289 errors; in 33,308 instances, patient wristbands were missing entirely. The median total error rate was 2.2%; 10% of participants had error rates of 10.9% or greater. Absent wristbands represented 49.5% of errors; multiple wristbands with different information, 8.3%; wristbands with incomplete data, 7.5%; erroneous data, 8.6%; illegible data, 5.7%; and patients wearing wristbands with another patient's identifying information, 0.5%. The monitoring for errors by phlebotomy staff was the most important policy associated with lower error rates. Initial placement of wristbands by nursing staff was the only policy associated with increased error rates. We conclude that wristband identification error rates depend on differences in hospital policy and procedure and should be responsive to quality improvement efforts.
Deep Brain Stimulation: Patient Selection in Parkinson's Disease, Other Movement Disorders, and Neuropsychiatric Disorders (2008)

Selecting the appropriate candidate for deep brain stimulation (DBS) may be the most important factor to determine the success of surgery (1–4). The proc ess of patient selection appears to vary widely among DBS centers in different regions of the world. The majority of large centers prefer a multidisciplinary approach involving a neurologist, a neurosurgeon, a psychologist, a psychia trist, and a nurse specialist (5) This chapter focuses on reviewing the factors involved in selecting appropriate DBS candidates for Parkinson's disease (PD) as well as other movement and neuropsychiatric disorders.
A measurement framework for pin-pointing routing changes (2004)

Changes in the end-to-end path between two hosts can lead to sudden changes in the round-trip time and available bandwidth, or even the complete loss of connectivity. Determining the reason for the routing change is crucial for diagnosing and fixing the problem, and for holding a particular domain accountable for the disruption. Active measurement tools like traceroute can infer the current path between two end-points, but not where and why the path changed. Analyzing BGP data from multiple vantage points seems like a promising way to infer the root cause of routing changes. In this paper, we explain the inherent limitations of using BGP data alone and argue for a distributed approach to troubleshooting routing problems. We propose a solution where each AS continuously maintains a view of routing changes in its own network, without requiring additional support from the underlying routers. Then, we describe how to query the measurement servers along the AS-level forwarding path from the source to the destination to uncover the location and the reason for the routing change.
X-ray Photoelectron Spectroscopic and Atomic Force Microscopic Studies of Pyrolytically Coated Graphite and Highly Oriented Pyrolytic Graphite Used for Electrothermal Vaporization (1997)

The interaction between solid or liquid samples on the one hand and pyrolytically coated graphite or highly oriented pyrolytic graphite (HOPG) sample holders on the other hand during electrothermal vaporization was studied. For the characterisation of the micrometer scale topographical changes occurring on these graphite surfaces as a result of solid sample evaporation, atomic force microscopy (AFM) was used. The migration of Cd(NO 3 ) 2 and Na 2 HAsO 4 deposited as solutions on the surface of the HOPG was studied by depth resolved X-ray photoelectron spectroscopy (XPS) using argon ion sputter etching. It was found that the investigated compounds migrate into the graphite to a depth of at least 1–1.5 µm. XPS data suggest that the migration involves either the hydrated metal ions or the molecules.
The relationship of B7H3 expression to androgen and prostate cancer outcomes in a large natural history cohort of men undergoing prostatectomy. (2016)

256 Background: B7-H3 (CD276), part of the B7 superfamily, has been shown to play an immunomodulatory role, however its regulation, receptor and mechanism of action remain unclear. Protein levels of B7-H3 have been previously shown to relate to prostate cancer outcomes and currently, humanized monoclonal antibodies are being developed for clinical use (MGA271, Macrogenics). Here we use genomic expression data to examine the relationship of B7-H3 to prostate cancer outcomes and molecular subtypes. Methods: Prostatectomy tissue from 905 patients were profiled using the Affymetrix HuEx 1.0 ST microarray. Kruskal-Wallis tests were used to identify significant associations of B7-H3 expression with clinico-pathologic variables, and survival analysis were used to evaluate the prognostic value of B7-H3. Pearson’s correlation analyses were also performed to assess the relationship of B7-H3 expression with molecular subtypes and individual transcripts. Androgen receptor (AR) occupancy of promoter regions was derived in silico from chromosomal immune-precipitation (ChIP) data. Results: B7-H3 expression was positively associated with Gleason score (p &lt; 0.01) and tumor stage (p &lt; 0.01). High B7-H3 expression also correlated with the development of metastasis and prostate cancer specific mortality (HR of 3.4 and 2.4 respectively, p &lt; 0.05 for both), but this was not significant on multi-variable analysis. B7-H3 was positively associated with ERG+ disease (n = 670, r = 0.85, p &lt; 0.05) and AR expression (n = 670, r = 0.46, p &lt; 0.001). B7-H3 was found to be one of the most correlated genes with AR (95th percentile) and ChIP analysis revealed AR binding upstream of B7-H3, suggesting potential androgen dependent regulation. Conclusions: B7-H3 expression correlates with high Gleason grade and advanced prostate cancer stage with higher quartiles of expression portending poor oncologic outcomes in two independent prostatectomy cohorts. B7-H3 expression appears to relate to the androgen receptor.
Severe hyperkalemia requiring hospitalization: predictors of mortality (2012)

Severe hyperkalemia occurs in various medical conditions; the precipitating factors are similarly diverse. The mortality rate is especially high in patients with severe underlying disease, coexisting medical conditions, and those with normal baseline renal function.