gebhart/patrepeval huggingface dataset:
Chiral Fluorous Dialkoxy‐Diamino Zirconium Complexes: Synthesis and Use in Stereospecific Polymerization of 1‐Hexene (2006)

New catalysts for the isospecific polymerization of 1-hexene based on cationic zirconium complexes incorporating the tetradentate fluorous dialkoxy-diamino ligands [OC(CF(3))(2)CH(2)N(Me)(CH(2))(2)N(Me)CH(2)C(CF(3))(2)O](2-) [(ON(2)NO)(2-)] and [OC(CF(3))(2)CH(2)N(Me)(1R,2R-C(6)H(10))N(Me)CH(2)C(CF(3))(2)O](2-) [(ON(Cy)NO)(2-)] have been developed. The chiral fluorous diamino-diol [(ON(Cy)NO)H(2), 2] was prepared by ring-opening of the fluorinated oxirane (CF(3))(2)COCH(2) with (R,R)-N,N'-dimethyl-1,2-cyclohexanediamine. Proligand 2 reacts cleanly with [Zr(CH(2)Ph)(4)] and [Ti(OiPr)(4)] precursors to give the corresponding dialkoxy complexes [Zr(CH(2)Ph)(2)(ON(Cy)NO)] (3) and [Ti(OiPr)(2)(ON(Cy)NO)] (4), respectively. An X-ray diffraction study revealed that 3 crystallizes as a 1:1 mixture of two diastereomers (Lambda-3 and Delta-3), both of which adopt a distorted octahedral structure with trans-O, cis-N, and cis-CH(2)Ph ligands. The two diastereomers Lambda-3 and Delta-3 adopt a C(2)-symmetric structure in toluene solution, as established by NMR spectroscopy. Cationic complexes [Zr(CH(2)Ph)(ON(2)NO)(THF)(n)](+) (n=0, anion=[B(C(6)F(5))(4)](-), 5; n=1, anion=[PhCH(2)B(C(6)F(5))(3)](-), 6) and [Zr(CH(2)Ph)(ON(Cy)NO)(THF)](+)[PhCH(2)B(C(6)F(5))(3)](-) (7) were generated from the neutral parent precursors [Zr(CH(2)Ph)(2)(ON(2)NO)] (H) and [Zr(CH(2)Ph)(2)(ON(Cy)NO)] (3), and their possible structures were determined on the basis of (1)H, (19)F, and (13)C NMR spectroscopy and DFT methods. The neutral zirconium complexes H and 3 (Lambda-3/Delta-3 mixture), when activated with B(C(6)F(5))(3) or [Ph(3)C](+)[B(C(6)F(5))(4)](-), catalyze the polymerization of 1-hexene with overall activities of up to 4500 kg PH mol Zr(-1) h(-1), to yield isotactic-enriched (up to 74 % mmmm) polymers with low-to-moderate molecular weights (M(w)=4800-47 200) and monodisperse molecular-weight distributions (M(w)/M(n)=1.17-1.79).
Lipid bilayer perturbations induced by simple hydrophobic peptides (1987)

Mixtures of tripeptides of the form Ala-X-Ala-O-tert-butyl with 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) bilayers have been used as a model system for studying the influence of hydrophobic peptides on membrane order and dynamic properties by means of deuterium NMR spectroscopy. Tripeptides with X = Ala, Leu, Phe, and Trp have been examined. Lipid 2H NMR spectra of acyl chain perdeuteriated DMPC ([2H54]DMPC) show that the addition of peptide disorders the bilayer lipid acyl chains and that the extent of the perturbation increases as the size of the central residue increases. Moment analyses of the spectra indicate that, while the average acyl chain order parameter decreases with increasing central residue size, the order parameter spread across the bilayer (the mean-squared width of the distribution) increases. Lipid segmental 2H longitudinal relaxation rates, 1/T1(i), exhibit a square-law functional dependence on SCD(i) both with and without the addition of peptide. The addition of peptide causes an increase in the slope of plots of 1/T1(i) vs. (SCD(i))2 with little change in the 1/T1(i) intercept, indicating a complex modulation of the acyl chain motions. 2H NMR spectra of Ala-[2H4]Ala-Ala-O-tert-butyl in DMPC bilayers have both isotropic and powder pattern components that vary as a function of temperature. At 30 degrees C the 2H spin-lattice relaxation times for the labeled Ala residue increase in going from bilayer-incorporated peptide to polycrystalline peptide to polycrystalline Ala.HCl. These experiments provide no information on the location of these peptides in the bilayer.(ABSTRACT TRUNCATED AT 250 WORDS)
Influences of a Shocking News Event on Web Browsing (2014)

It has been suggested that online search and retrieval contributes to the intellectual isolation of users within their preexisting ideologies, where people’s prior views are strengthened and alternative viewpoints are infrequently encountered. This so-called “filter bubble” phenomenon has been called out as especially detrimental when it comes to dialog among people on controversial, emotionally charged topics, such as the labeling of genetically modified food, the right to bear arms, and online privacy. We seek to identify and study temporal information-seeking behavior and access to alternative versus reinforcing viewpoints following shocking, emotional, and large-scale news events. We choose for a case study to analyze search and browsing on gun control/rights, a strongly polarizing topic for both citizens and leaders of the United States. We study the period of time preceding and following a mass shooting to understand how its occurrence, follow-on discussions, and debate may have been linked to changes in the patterns of searching and browsing. For that purpose, we represent the web search and browsing behavior of the users as a Markov chain and study the transitions of the users between webpages of various views by using mobility indices.
Simultaneous analysis of the gene expression profiles of cancer and stromal cells in endometrial cancer (2014)

To address the role of cancer-stroma interactions, we performed gene expression profiling of both cancer and stroma, using matching samples of endometrial cancer (EC), and analyzed the relationship between the gene expression pattern and prognosis in EC. Sixty EC cases were included in this study (38 nonrecurrent and 22 recurrent). Cancer and stroma were separated by performing laser capture microdissection, and microarray analysis was performed separately on cancer and stromal cells. Genes related with progression-free survival (PFS) in cancer and stroma were analyzed using the Cox regression model, and we established a formula, based on the gene expression pattern of cancer and stroma, to predict recurrence using logistic regression. We estimated the accuracy of the formula using the 0.632 method. All cases were classified based on the 79 selected genes of cancer and stroma related to PFS, based on unsupervised clustering. A total of 143 genes in cancer, and 79 genes in stroma were significantly related with PFS. The estimated area under the curve of receiver operating characteristics curve in cancer and stroma to predict recurrence were 0.800 and 0.758, respectively. Based on the 79 genes of cancer, the 22 recurrent cases were divided into two groups, which generally correlated with the histological grade. In contrast, based on the 79 genes of stroma, the 22 recurrent cases displayed homogeneous gene expression, unrelated to the histological grade. We conclude that gene expression profiles of cancer and stroma can predict the recurrence of EC and stromal that gene expression does not depend on the cancer grade.
Abstract 215: Generation of site-specific DARPin® drug conjugates using EGFR as a model system (2019)

DARPin® molecules are small engineered proteins, derived from natural ankyrin repeat proteins that are selected to bind to specific targets with high affinity. Individual DARPin® molecules can be linked together genetically in order to create multi-specific drug molecules. This versatility of DARPin® molecules makes them an attractive alternative to antibodies for the development of drug conjugates. We have developed DARPin® drug conjugates (DDCs) using a model EGFR multi-specific DARPin® molecule, consisting of four DARPin® domains linked together. DARPin® constructs were conjugated to the indolinobenzodiazepine mono-imine DGN549, a potent DNA alkylating payload. Biophysical characterization showed the DDCs to be well behaved in stability and solubility assays. The in vitro binding and cytotoxicity of these DDCs were evaluated. The DARPin® conjugates displayed in vitro potency in direct cytotoxicity assays across a panel of cell lines expressing EGFR. The impact of conjugation on PK parameters and in vivo efficacy is currently under evaluation. DARPin® drug conjugates combine the potency observed with antibody drug conjugates and the modular design of DARPin® molecules to create designer therapeutics.Citation Format: Laura A. Laviolette, Cynthia J. Guidi, Christian Reichen, Qifeng Qiu, Luke Harris, Patricia Schildknecht, Stefanie Fischer, Zita Arany, Tanja Hospodarsch, Anna Skaletskaya, Megan Fuller, Stephen Abbott, Rebecca McCarthy, Jenny Lee, Katherine Francisco, Kerstin Sinkevicius, Sharlene Adams, Christopher Espelin, Emily Reid, Wei Li, Carla Marashio, Kerry Donahue, Stuart Hicks, Dan Snell. Generation of site-specific DARPin® drug conjugates using EGFR as a model system [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2019; 2019 Mar 29-Apr 3; Atlanta, GA. Philadelphia (PA): AACR; Cancer Res 2019;79(13 Suppl):Abstract nr 215.
Design of a Simple Structure for the D-SMTS Concentrator (2020)

This work addresses the designing of both the structure and the heat sinks of the D-SMTS photovoltaic concentrator, aiming simplicity and lightness. This mirror-based linear system offers a noticeable increased acceptance angle with respect to classical line-focus solutions for the same concentration level. Accuracy is then feasible to be relaxed at some assorted levels, owing to this high acceptance angle. The design of a novel light structure that, for instance, uses heat sinks as supporting beams and mirrors as heat sink fins has been carried out. After a brief review of the D-SMTS main features, sections 2 and 3 are devoted to the design of the heat sinks and the structural analysis, respectively, of an approximately 3×3 meters array with four D-SMTS of geometrical concentration 30x. The calculation of the yearly-averaged optical efficiency predicted for this system is showed in section 4 and conclusions will be highlighted in section 5.
What you can't feel won't hurt you: Evaluating haptic hardware using a haptic contrast sensitivity function (2011)

In this paper, we extend the concept of the contrast sensitivity function - used to evaluate video projectors - to the evaluation of haptic devices. We propose using human observers to determine if vibrations rendered using a given haptic device are accompanied by artifacts detectable to humans. This determination produces a performance measure that carries particular relevance to applications involving texture rendering. For cases in which a device produces detectable artifacts, we have developed a protocol that localizes deficiencies in device design and/or hardware implementation. In this paper, we present results from human vibration detection experiments carried out using three commercial haptic devices and one high performance voice coil motor. We found that all three commercial devices produced perceptible artifacts when rendering vibrations near human detection thresholds. Our protocol allowed us to pinpoint the deficiencies, however, and we were able to show that minor modifications to the haptic hardware were sufficient to make these devices well suited for rendering vibrations, and by extension, the vibratory components of textures. We generalize our findings to provide quantitative design guidelines that ensure the ability of haptic devices to proficiently render the vibratory components of textures.
Protecting groups for 193-nm photoresists (1996)

Two versions of 193-nm single layer resists based on acrylic polymer chemistry have been described previously. The version 1 resist is a tool-testing version and is based on a methacrylate terpolymer structure. Its etch resistance analogue (version 2 resist) contains alicyclic compounds attached to the acrylic backbone. Key to enabling the performance of version 2 resist are the use of steroid additives which behave principally as thermomechanical modifiers to improve the mechanical properties of these rigid polymers through plasticization. We used the tertiary-butyl ester protecting group in these resists for thermal stability and other considerations. This paper describes an investigation of the impact of acid-cleavable protecting group structure on the properties of a series of model acrylic polymers. In this investigation, factors such as thermochemical stability, reactivity to photogenerated acid, and dissolution properties of exposed films as a function of dose were examined. A new highly reactive protecting group is introduced in this study, the tetrahydrofuranyl ester (THF) of methacrylic acid. Additionally, we introduce a new polymer family (polynorbornenes) with superior etch resistance, significantly broadening the polymer chemistry available for the construction of new 193-nm photoresists.
Efficiency improvement of peptide identification for an organism without complete genome sequence, using expressed sequence tag database and tandem mass spectral data (2003)

We compared peptide identification by database (DB) search methods with de novo sequencing results for proteomics study in an organism without genome sequence information. When the former was done by searching the Expressed Sequence Tag (EST) DB of the sample organism or the NCBI nonredundant (nr) protein DB of green plants using either the MASCOT or SEQUEST software program, it was confirmed that the former is as accurate as the latter. Peptides identified from EST DB were twice as many as those from the nr protein DB, in spite of the fact that the EST DB has less data (26 222 EST) than the NCBI nr protein DB (224 238). This study demonstrates that EST DB with tandem mass spectra can be used reliably for high-throughput proteomics studies in an organism without genome information.
Front Matter: Volume 8933 (2014)

This PDF file contains the front matter associated with SPIE Proceedings Volume 8933, including the Title Page, Copyright information, Table of Contents, Invited Panel Discussion, and Conference Committee listing.
Solar Mobility: Two Years of Practical Experience Charging Ten Cars With Solar Energy (2012)

International audience
Specificity of the ModA11, ModA12 and ModD1 epigenetic regulator N6-adenine DNA methyltransferases of Neisseria meningitidis (2015)

Phase variation (random ON/OFF switching) of gene expression is a common feature of host-adapted pathogenic bacteria. Phase variably expressed N(6)-adenine DNA methyltransferases (Mod) alter global methylation patterns resulting in changes in gene expression. These systems constitute phase variable regulons called phasevarions. Neisseria meningitidis phasevarions regulate genes including virulence factors and vaccine candidates, and alter phenotypes including antibiotic resistance. The target site recognized by these Type III N(6)-adenine DNA methyltransferases is not known. Single molecule, real-time (SMRT) methylome analysis was used to identify the recognition site for three key N. meningitidis methyltransferases: ModA11 (exemplified by M.NmeMC58I) (5'-CGY M6A: G-3'), ModA12 (exemplified by M.Nme77I, M.Nme18I and M.Nme579II) (5'-AC M6A: CC-3') and ModD1 (exemplified by M.Nme579I) (5'-CC M6A: GC-3'). Restriction inhibition assays and mutagenesis confirmed the SMRT methylome analysis. The ModA11 site is complex and atypical and is dependent on the type of pyrimidine at the central position, in combination with the bases flanking the core recognition sequence 5'-CGY M6A: G-3'. The observed efficiency of methylation in the modA11 strain (MC58) genome ranged from 4.6% at 5'-GCGC M6A: GG-3' sites, to 100% at 5'-ACGT M6A: GG-3' sites. Analysis of the distribution of modified sites in the respective genomes shows many cases of association with intergenic regions of genes with altered expression due to phasevarion switching.
Oscillating diffusion‐encoding with a high gradient‐amplitude and high slew‐rate head‐only gradient for human brain imaging (2020)

The high gradient amplitude, high slew rate, and high peripheral nerve stimulation thresholds of the MAGNUS head-gradient enables OGSE acquisition for in vivo human brain imaging.
On supporting containment queries in relational database management systems (2001)

Virtually all proposals for querying XML include a class of query we term “containment queries”. It is also clear that in the foreseeable future, a substantial amount of XML data will be stored in relational database systems. This raises the question of how to support these containment queries. The inverted list technology that underlies much of Information Retrieval is well-suited to these queries, but should we implement this technology (a) in a separate loosely-coupled IR engine, or (b) using the native tables and query execution machinery of the RDBMS? With option (b), more than twenty years of work on RDBMS query optimization, query execution, scalability, and concurrency control and recovery immediately extend to the queries and structures that implement these new operations. But all this will be irrelevant if the performance of option (b) lags that of (a) by too much. In this paper, we explore some performance implications of both options using native implementations in two commercial relational database systems and in a special purpose inverted list engine. Our performance study shows that while RDBMSs are generally poorly suited for such queries, under conditions they can outperform an inverted list engine. Our analysis further identifies two significant causes that differentiate the performance of the IR and RDBMS implementations: the join algorithms employed and the hardware cache utilization. Our results suggest that contrary to most expectations, with some modifications, a native implementations in an RDBMS can support this class of query much more efficiently.
rac-[Methylene(3-tert-butyl-1-indenyl)2]ZrCl2:  A Simple, High-Performance Zirconocene Catalyst for Isotactic Polypropene (2000)

The synthesis and propene polymerization performance of the novel rac-[CH2(3-tert-butyl-1-indenyl)2]ZrCl2 (2) and rac-[CH2(3-tert-butyl-1-indenyl)2]ZrMe2 (2-Me2) are described. The ligand precursor, bis(1-tert-butyl-3-indenyl)methane (L2), is obtained in ca. 80% conversion from the condensation of 3-tert-butylindene and formaldehyde in DMF at room temperature and is isolated as a yellow powder by washing with pentane. Red 2 is obtained in 50−60% yield and free from its meso stereoisomer by reacting an Et2O solution of the ligand dianion, (L2)Li2(Et2O)x, with a slurry of ZrCl4 in either pentane or toluene. Yellow 2-Me2 is prepared in 90% yield by reaction of 2 with excess MeMgCl in toluene. Alternatively, 2-Me2 (contaminated with about 5% of its meso isomer) can be obtained directly from the ligand L2, by reacting L2 in Et2O with 4 equiv of MeLi and then 1 equiv of ZrCl4 in toluene. Both 2 and 2-Me2 are remarkably soluble in pentane (2, ca. 1.7 g/L; 2-Me2, ca. 13 g/L) and toluene (2, ca. 50 g/L). 2/MAO and 2-Me2/MAO polymerize liquid propene with good activities to highly isotactic (mmmm = 95−98%), fully regioregular polypropene with medium-high molecular weights (M̄w = 70 000−780 000) and high melting points (Tm = 154−163 °C) in the Tp range 30−70 °C. The behavior of 2 is compared to that of the prototypical Montell zirconocene rac-[Me2C(3-t-Bu-Ind)2]ZrCl2 (1). 2 is the first example of a highly efficient and at the same time simple and inexpensive zirconocene catalyst for isotactic polypropene. The molecular structures of 2 and its Hf analogue (Hf-2) have been determined and compared to that of 1.
ChemInform Abstract: Synthesis of a Pentasaccharide Fragment of Polysaccharide II of Mycobacterium tuberculosis. (1996)

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.
Market Stability: Backward-Bending Supply in a Laboratory Experimental Market (2001)

This outstanding collection spanning three decades comprises a superb selection of Charles R. Plott’s work in experimental economics. Market Institutions and Price Discovery contains papers which define problems, create laboratory methodology and produce the first results in many areas of experimental economics.
Use of polymeric catalysts in the pore-size-specific functionalization of porous polymers (1993)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTUse of polymeric catalysts in the pore-size-specific functionalization of porous polymersVladimir Smigol, Frantisek Svec, and Jean M. J. FrechetCite this: Macromolecules 1993, 26, 21, 5615–5620Publication Date (Print):October 1, 1993Publication History Published online1 May 2002Published inissue 1 October 1993https://pubs.acs.org/doi/10.1021/ma00073a013https://doi.org/10.1021/ma00073a013research-articleACS PublicationsRequest reuse permissionsArticle Views353Altmetric-Citations46LEARN 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
CYP11B1 variants influence skeletal maturation via alternative splicing (2021)

We performed genome-wide association study meta-analysis to identify genetic determinants of skeletal age (SA) deviating in multiple growth disorders. The joint meta-analysis (N = 4557) in two multiethnic cohorts of school-aged children identified one locus, CYP11B1 (expression confined to the adrenal gland), robustly associated with SA (rs6471570-A; β = 0.14; P = 6.2 × 10<sup>-12</sup>). rs6410 (a synonymous variant in the first exon of CYP11B1 in high LD with rs6471570), was prioritized for functional follow-up being second most significant and the one closest to the first intron-exon boundary. In 208 adrenal RNA-seq samples from GTEx, C-allele of rs6410 was associated with intron 3 retention (P = 8.11 × 10<sup>-40</sup>), exon 4 inclusion (P = 4.29 × 10<sup>-34</sup>), and decreased exon 3 and 5 splicing (P = 7.85 × 10<sup>-43</sup>), replicated using RT-PCR in 15 adrenal samples. As CYP11B1 encodes 11-β-hydroxylase, involved in adrenal glucocorticoid and mineralocorticoid biosynthesis, our findings highlight the role of adrenal steroidogenesis in SA in healthy children, suggesting alternative splicing as a likely underlying mechanism.
Embracing synthetic lethality of novel anticancer therapies (2015)

Most of the currently used chemotherapeutic agents will destroy cells irrespective of whether they are cancer cells or fast growing normal cells; but SL is one of the approaches being developed with potential as a selective cancer therapy. PARP inhibitors, such as olaparib, are useful in BRCA mutated cancer cells and are also used in combination with other drug to enhance their efficacy. Research on PARP inhibitors is progressing at a good pace but there are still some significant challenges that must be addressed.