gebhart/patrepeval huggingface dataset:
Numerical computation of 9-jsymbols (1988)

A formula for the algebraic calculation of a general 9-j symbol is compared numerically with a formula using a summation over the triple products of 6-j symbols. The latter is found to be more advantageous computationally.
Surface Vibrational Spectroscopy of Lubricants Adsorbed at the Iron−Water Interface (1998)

Sum-frequency spectroscopy has been used to obtain the vibrational spectra of two molecules, potassium oleate and sodium octanoate, adsorbed at the iron−water interface. These two molecules reduce the friction of iron−steel contacts: the surface structures inferred from the vibrational spectra indicate how these molecules lubricate iron under aqueous solutions. Potassium oleate causes a reduction in the friction of iron surfaces at 10 mM; the strength and phase of the resonances in the vibrational spectra of oleate indicate that a bilayer was adsorbed at the iron surface at this concentation. Sodium octanoate reduces the friction of iron surfaces under anodic potentials. The vibrational spectra of adsorbed octanoate did not contain any resonances at any applied potential: this observation suggests that a completely disordered film was adsorbed at iron. The comparison between the coefficients of friction suggests that the more ordered films formed by oleate are more effective at lubricating than the disordered octanoate films.
ChemInform Abstract: One‐Pot Method for Regioselective Bromination and Sequential Carbon—Carbon Bond‐Forming Reactions of Allylic Alcohol Derivatives. (2013)

Abstract An efficient one‐pot procedure for the regioselective bromination of allylic alcohol derivatives followed by Sonogashira, Negishi, or Suzuki—Miyaura coupling reactions in the same reaction vessel is developed.
Discrete-Phase Sequence Design for Coexistence of MIMO Radar and MIMO Communications (2019)

We consider the problem of designing discrete-phase transmit waveform for multiple-input-multiple-output (MIMO) radar to enable its coexistence with MIMO communications. The signal reflected from the target is contaminated with noise, clutter, and interfering communications signal from the base station. We jointly design the radar transmit waveform and its corresponding receive filter in order to maximize the signal-to-interference-plus-noise-ratio with the constant communications rate constraint. In general, this design problem is NP-hard, multi-variable, and non-convex. Contrary to prior works, we tackle this by employing coordinate descent at the waveform design stage. Numerical experiments indicate that the proposed method monotonically increases the signal to noise and interference ratio, while designing discrete phase sequences.
Nonlinear optical susceptibilities of high-index glasses (1989)

We report results of degenerate four-wave mixing measurements of nonresonant nonlinearities in a variety of high-index lead and bismuth containing oxide glasses and the chalcogenide As2S3. The third-order nonlinear susceptibilities of the oxide glasses are found to scale with the heavy metal content. A lead-bismuth-gallate glass was identified with a nonresonant χ3 equal to 42±7×10−14 esu, which is approximately three times larger than that of any glass previously reported.
Supplementary Figure 2 from Mutated <i>BCR-ABL</i> Generates Immunogenic T-cell Epitopes in CML Patients (2023)

&lt;p&gt;PDF file, 135K, Analysis of potential peptide binders for common mutations related to dasatinib and nilotinib.&lt;/p&gt;
An Approach Toward the Optimal Semi-Active Suspension (1988)

In this paper, a two-degree-of-freedom model of a semi-actively suspended vehicle is used as a starting point in the design of an optimal suspension. The optimization is performed with respect to a quadratic performance index reflecting suspension design constraints and ride quality requirements. Two closely related mathematical descriptions of the model are given, one leading to a linear and the other to a bilinear system of differential equations, with an additional inequality constraint reflecting the passivity of the semi-active device. Since the resulting stochastic optimization problem does not allow for a closed-form analytical solution, a numerical method is proposed as an approximate solution. The justification for the method is based on a recent existence theorem from stochastic optimal control theory. Illustrative simulation results of the optimization are presented.
Preface for Small-Molecule Activation: Carbon-Containing Fuels (2015)

For millennia, human transportation was fueled largely through the consumption of biomass (by humans or domestic animals) and to a lesser extent by wind. The 19th century saw a major shift to coal-fueled transportation, with trains and ships powered by steam engines. A second major shift in the fueling of transportation occurred in the 20th century, this time to petroleum. Thus, this transition was not driven by the cost or ease of obtaining energy from oil wells vs. coal mines – indeed, the cost of petroleum has always been higher than coal on a per-unit-energy basis – but rather by the tremendous technical advantages of powering engines with liquids, specifically liquid hydrocarbons.
Phase conjugation method for the compensation of thermal defocusing of the light beams (1979)

Nonlinear distortions of light beams traveling under thermal self-interaction conditions can be compensated by an algorithm for the control of the initial beam profile. In the linear case the proposed algorithm for the optimization of the process of focusing of a light beam by the conditional gradient method is identical with the familiar phase conjugation algorithm. This analogy is used to investigate a number of problems relating to the efficiency of phase-conjugate adaptive optical systems.
Diphenyldifluorosilane (2007)

[312-40-3] C12H10F2Si (MW 220.30) InChI = 1S/C12H10F2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H InChIKey = BOMPXIHODLVNMC-UHFFFAOYSA-N (a moisture insensitive equivalent of diphenyldichlorosilane that is more reactive toward nucleophiles. Source of phenyl group in the Hiyama coupling reaction. More stable to electrophilic aromatic substitution than diphenyldichlorosilane.) Physical Data: bp 246–247 °C, bp 156 °C 50 mmHg, bp 66–70 °C 0.5 mmHg; d 1.155 g cm−1. Solubility: soluble in ether. Form Supplied in: colorless liquid. Preparative Method: commercially available. Readily prepared by oxidation of diphenylsilane with CuF2,1 or by treatment of diphenyldichlorosilane with HF,2 ZnF2,3, 4 NaBF4,5, 6 or (NH4)2SiF6.7 Rate enhancements of the chlorine–fluorine exchange have been achieved with ultrasound and addition of water.8 Diethoxydiphenylsilane and related structures are converted to diphenyldifluorosilane with 48% HF(aq).9, 10 Purification: distillation. Handling, Storage, and Precautions: this substance will etch glass at elevated temperatures. Although it is stable to neutral and acidic aqueous conditions, it is a possible source of hydrofluoric acid (see safety precautions).
Role of endoscopic retrograde cholangiopancreatography after orthotopic liver transplantation. (1992)

We reviewed the records of 20 liver transplant patients who underwent 28 procedures [endoscopic retrograde cholangiopancreatography (ERCP)] to rule out biliary obstruction, treat bile leaks, dilate and/or stent strictures, or remove stones and debris. Three patients (two with abnormal T-tube cholangiograms and one with hyperbilirubinemia) underwent ERCP to rule out obstruction. Therapeutic ERCP (sphincterotomy with balloon dilatation or stone extraction) was successful in 16 of 17 patients, including seven of nine in whom there was resolution of bile leaks without the use of stents or surgery. Mild pancreatitis occurring in one patient was the only complication experienced that was related to ERCP. We conclude that ERCP is a safe and important modality in the medical management of biliary tract complications after orthotopic liver transplantation.
Combined Inhibition of C5 and CD14 Attenuates Systemic Inflammation in a Piglet Model of Meconium Aspiration Syndrome (2018)

Combined inhibition of C5 and CD14 attenuates meconium-induced inflammation in vivo and this could become a future therapeutic regimen for MAS.
Front Cover: Discovery of Molidustat (BAY 85‐3934): A Small‐Molecule Oral HIF‐Prolyl Hydroxylase (HIF‐PH) Inhibitor for the Treatment of Renal Anemia (ChemMedChem 10/2018) (2018)

The Front Cover shows key elements of the pharmacological action of molidustat, a novel small-molecule inhibitor of the hypoxia-inducible factor prolyl hydroxylase (HIF-PH). Inhibition of HIF-PH leads to a restoration of erythropoietin (EPO) production in the kidney by mimicking hypoxia and subsequently to an increased formation of oxygen-carrying red blood cells in the bone marrow. This novel pharmacological concept has the potential to lead to a more physiological treatment of anemia than by parenteral administration of recombinant human erythropoietin (rhEPO), which is the current standard of care. Molidustat was identified at Bayer AG in the course of a multiparameter lead optimization starting from a high-throughput screening hit, and is currently being investigated in phase 3 clinical studies for the treatment of anemia in patient with chronic kidney disease (CKD). More information can be found in the Full Paper by Hartmut Beck, Mario Jeske et al. on page 988 in Issue 10, 2018 (DOI: 10.1002/cmdc.201700783).
Monitoring of thermal therapy based on shear modulus changes: I. shear wave thermometry (2011)

The clinical applicability of high-intensity focused ultrasound (HIFU) for noninvasive therapy is today hampered by the lack of robust and real-time monitoring of tissue damage during treatment. The goal of this study is to show that the estimation of local tissue elasticity from shear wave imaging (SWI) can lead to the 2-D mapping of temperature changes during HIFU treatments. This new concept of shear wave thermometry is experimentally implemented here using conventional ultrasonic imaging probes. HIFU treatment and monitoring were, respectively, performed using a confocal setup consisting of a 2.5-MHz single-element transducer focused at 30 mm on ex vivo samples and an 8-MHz ultrasound diagnostic probe. Thermocouple measurements and ultrasound-based thermometry were used as a gold standard technique and were combined with SWI on the same device. The SWI sequences consisted of 2 successive shear waves induced at different lateral positions. Each wave was created using 100-μs pushing beams at 3 depths. The shear wave propagation was acquired at 17,000 frames/s, from which the elasticity map was recovered. HIFU sonications were interleaved with fast imaging acquisitions, allowing a duty cycle of more than 90%. Elasticity and temperature mapping was achieved every 3 s, leading to realtime monitoring of the treatment. Tissue stiffness was found to decrease in the focal zone for temperatures up to 43°C. Ultrasound-based temperature estimation was highly correlated to stiffness variation maps (r² = 0.91 to 0.97). A reversible calibration phase of the changes of elasticity with temperature can be made locally using sighting shots. This calibration process allows for the derivation of temperature maps from shear wave imaging. Compared with conventional ultrasound-based approaches, shear wave thermometry is found to be much more robust to motion artifacts.
Abstract 2334: Discovery of selective inhibitors of carbamoyl phosphate synthetase I (CPS1) to modulate cancer relevant metabolic pathways (2021)

Abstract Carbamoyl Phosphate Synthetase 1 (CPS1) catalyzes the first and rate-limiting step in ammonia detoxification through the urea cycle, generating carbamoyl phosphate from ammonia, bicarbonate and ATP. CPS1 is overexpressed in several cancers, including LKB1-deficient non-small cell lung carcinoma (NSCLC), where its activity has been proposed to support tumor growth by generating carbamoyl phosphate for use in pyrimidine synthesis. In other cancers, CPS1 has been reported to remove toxic ammonia from growing tumors to allow for sustained growth. Currently, no small molecule inhibitors of CPS1 have been identified, limiting researcher's ability to dissect the involvement of CPS1 function in cancer biology. We describe here the discovery of the first known small molecule inhibitors of CPS1. From a high throughput screen, we identify two chemical series, which achieve inhibition of CPS1 by blocking bicarbonate phosphorylation in the first step of carbamoyl phosphate synthesis. Biochemical experiments reveal inhibition of bicarbonate phosphorylation occurs through competition between inhibitor and ATP. High-resolution co-crystal structures demonstrate that these novel inhibitors bind to a previously unidentified allosteric pocket located between the integrating domain and carbamate synthetase domain of CPS1. This allosteric mechanism of action allows for highly selective CPS1 inhibition, with no inhibition of CPS2 observed. Analogs with increased potency were developed, which are able to inhibit CPS1 cellular activity, blocking both urea production and the CPS1-mediated pyrimidine biosynthetic pathway in cultured cells. These novel CPS1 inhibitors are valuable, first-in-class tools for probing CPS1 biology. We will also discuss the opportunity to utilize these novel inhibitors of CPS1, along with genetic approaches, to probe the functional roles of CPS1 in LKB1-deficient NSCLC. Citation Format: Shihua Yao, Tuong-Vi Nguyen, Alan Rolfe, Anant A. Agrawal, Jiyuan Ke, Shouyong Peng, Federico Colombo, Sean Yu, Patricia Bouchard, Jiayi Wu, Kuan-Chun Huang, Xingfeng Bao, Kiyoyuki Omoto, Anand Selvaraj, Lihua Yu, Stephanos Ioannidis, Frédéric H. Vaillancourt, Ping Zhu, Nicholas A. Larsen, David M. Bolduc. Discovery of selective inhibitors of carbamoyl phosphate synthetase I (CPS1) to modulate cancer relevant metabolic pathways [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2021; 2021 Apr 10-15 and May 17-21. Philadelphia (PA): AACR; Cancer Res 2021;81(13_Suppl):Abstract nr 2334.
Use of Human Mesenchymal Stem Cells as Alternative Source of Smooth Muscle Cells in Vessel Engineering (2011)

Adult stem cell-derived smooth muscle cells (SMC) may be a promising source of cells for applications in regenerative medicine, including cardiovascular tissue engineering. Primary SMC from native vessels may have limited proliferative capacity and reduced collagen production when sourced from elderly donors, who are the patients in need of vascular grafts due to coronary disease or peripheral arterial disease. Our recent work showed that the ability of human bone marrow-derived mesenchymal stem cells (hMSCs) to differentiate into SMC was modulated by various growth factors, matrix proteins, and mechanical forces. In addition, the components of the culture medium play a very important role in SMC differentiation from hMSCs. In this chapter, we will summarize our experience with the impact of various factors on SMC differentiation from hMSCs. Based upon our findings regarding growth factors, cyclic strain and matrix proteins, a two-phase vessel regeneration culture protocol including a 4-week proliferation phase and a 4-week differentiation phase was developed to optimize proliferation and SMC differentiation of hMSCs consecutively.
Hydroboration. 83. Synthesis and hydroboration of 2-ethylapopinene. Comparison of monoisopinocampheylborane and its 2-ethyl analog for the chiral hydroboration of representative alkenes (1988)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHydroboration. 83. Synthesis and hydroboration of 2-ethylapopinene. Comparison of monoisopinocampheylborane and its 2-ethyl analog for the chiral hydroboration of representative alkenesHerbert C. Brown, Ramnarayan S. Randad, Krishna S. Bhat, Marek Zaidlewicz, Steven A. Weissman, Prabhakar K. Jadhav, and P. T. PerumalCite this: J. Org. Chem. 1988, 53, 23, 5513–5518Publication Date (Print):November 1, 1988Publication History Published online1 May 2002Published inissue 1 November 1988https://pubs.acs.org/doi/10.1021/jo00258a021https://doi.org/10.1021/jo00258a021research-articleACS PublicationsRequest reuse permissionsArticle Views510Altmetric-Citations28LEARN 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
Role of Chloride Transport in the Development of the Rat Blastocyst1 (1993)

Preimplantation mammalian development culminates in the generation of a fluid-filled cavity, the blastocoel, which requires the vectorial transport of ions across the trophectoderm, followed by the movement of water. Experiments were carried out to establish the role of Cl- transport in blastocoel formation in the rat. These included investigations of the effect of Cl- substitution and the Cl- transport inhibitors 4,4'-diisothiocyanatostilbene-2,2'-disulfonic acid, furosemide, and anthracene-9-carboxylic acid, on the development of morulae into blastocysts in culture, and on the rate at which blastocoel fluid is accumulated. In addition, a novel technique was developed in which the Cl(-)-sensitive fluorescent dye 6-methoxy-N-(3-sulfopropyl) quinolium (SPQ) was loaded into the blastocoel cavity, in order to characterize the pathways of transtrophectodermal Cl- transport. We established that 1) blastocoel formation in the rat requires the external presence of Cl- ions; 2) transport across the trophectoderm appears to be via a transcellular pathway, since rates of blastocyst development, fluid accumulation, and SPQ-monitored Cl- efflux are all reduced in the presence of Cl- transport inhibitors; and 3) Cl- transport occurs via Cl-/HCO3- exchange.
Moving Target Detection and Imaging Using a Single-Channel SAR (2019)

A single-channel SAR algorithm, which detects moving targets, finds their velocity vectors, and forms their focused images is proposed. To find both the range and cross- range velocities, a circular data collection path is considered, thus providing the flexibility to control the azimuthal angle vs. slow time variation over the synthetic aperture. The back- projection approach is adapted for the task of accurate imaging of moving targets. A highly efficient back-projection algorithm is developed using multilevel interpolation and aggregation of coarse images based on partial data sets.
Mutational analysis of U1 function in Schizosaccharomyces pombe: pre-mRNAs differ in the extent and nature of their requirements for this snRNA in vivo. (1996)

The U1 snRNP is known to play a critical role in spliceosome assembly, at least in part through base pairing of its RNA moiety to the substrate, but many details remain to be elucidated. To further dissect U1 snRNA function, we have analyzed 14 single point mutations in the six nucleotides complementary to the 5' splice site for their effects on growth and splicing in the fission yeast Schizosaccharomyces pombe. Three of the four alleles previously found to support growth of Saccharomyces cerevisiae are lethal in S. pombe, implying a more critical role for the 5' end of U1 in fission yeast. Furthermore, a comparison of phenotypes for individual nucleotide substitutions suggests that the two yeasts use different strategies to modulate the extent of pairing between U1 and the 5' splice site. The importance of U1 function in S. pombe is further underscored by the lethality of several single point mutants not examined previously in S. cerevisiae. In total, only three alleles complement the U1 gene disruption, and these strains are temperature-sensitive for growth. Each viable mutant was tested for impaired splicing of three different S. pombe introns. Among these, only the second intron of the cdc2 gene (cdc2-I2) showed dramatic accumulation of linear precursor. Notably, cdc2-I2 is spliced inefficiently even in cells containing wild-type U1, at least in part due to the presence of a stable hairpin encompassing its 5' splice site. Although point mutations at the 5' end of U1 have no discernible effect on splicing of pre-U6, significant accumulation of unspliced RNA is observed in a metabolic depletion experiment. Taken together, these observations indicate that the repertoire of U1 activities is used to varying extents for splicing of different pre-mRNAs in fission yeast.
Antimicrobial Activity of Citric, Lactic, Malic, or Tartaric Acids and Nisin‐incorporated Soy Protein Film Against Listeria monocytogenes, Escherichia coli O157:H7, and Salmonella gaminara (2004)

ABSTRACT: We studied the effectiveness of partial replacement of glycerol with citric, lactic, malic, and tartaric acids on the antimicrobial activities of nisin (205 IU/g protein)‐incorporated soy protein film against Listeria monocytogenes, Escherichia coli O157:H7, and Salmonella gaminara. S. gaminara inoculated into 2.6% malic acid‐incorporated films and lactic acid‐incorporated films with nisin (5.7 and 3.4 log number colony‐forming units (CFU)/mL, respectively) and without nisin (3.2 and 3.0 log number CFU/mL, respectively) had fewer survivors than HCl‐incorporated film with and without nisin (8.6 and 7.9 log number CFU/mL, respectively). Malic acid (2.6%)‐incorporated soy protein film had the fewest survivors of L. monocytogenes, S. gaminara , and E. coli O157:H7 (5.5, 3.0, and 6.8 log number CFU/mL, respectively) and has the potential to inhibit a wide spectrum of microbes in product application.
Coupled resonator optical waveguides based on silicon-on-insulator photonic wires (2006)

Coupled resonator optical waveguides (CROWs) comprised of up to 16 racetrack resonators based on silicon-on-insulator (SOI) photonic wires were fabricated and characterized. The optical properties of the CROWs were simulated using measured single resonator parameters based on a matrix approach. The group delay property of CROWs was also analyzed. The SOI based CROWs consisting of multiple resonators have extremely small footprints and can find applications in optical filtering, dispersion compensation, and optical buffering. Moreover, such CROW structure is a promising candidate for exploration of low light level nonlinear optics due to its resonant nature and compact mode size (∼0.1μm2) in photonic wire.
400-G coherent receiver using silica-based heterogeneously-integrated PLC with newly developed waveplate type PBS (2014)

We report a one-chip 400-G coherent receiver that employs a heterogeneously integrated silica-based PLC with low-loss three-branched spot size converters, an extinction ratio tunable PBS and 16 InP-PDs. 32-Gbaud DP-16QAM signal demodulation was successfully demonstrated.