gebhart/patrepeval huggingface dataset:
Mutational analysis and molecular modeling of the nonapeptide hormone binding domains of the [Arg8]vasotocin receptor. (1996)

To identify determinants that form nonapeptide hormone binding domains of the white sucker Catostomus commersoni [Arg8]vasotocin receptor, chimeric constructs encoding parts of the vasotocin receptor and parts of the isotocin receptor have been analyzed by [(3,5-3H)Tyr2, Arg8]vasotocin binding to membranes of human embryonic kidney cells previously transfected with the different cDNA constructs and by functional expression studies in Xenopus laevis oocytes injected with mutant cRNAs. The results indicate that the N terminus and a region spanning the second extracellular loop and its flanking transmembrane segments, which contains a number of amino acid residues that are conserved throughout the nonapeptide receptor family, contribute to the affinity of the receptor for its ligand. Nonapeptide selectivity, however, is mainly defined by transmembrane region VI and the third extracellular loop. These results are complemented by a molecular model of the vasotocin receptor obtained by aligning its sequence with those of other G-protein coupled receptors as well as that of bacteriorhodopsin. The model indicates that amino acid residues of transmembrane regions II-VII that are located close to the extracellular surface also contribute to the binding of vasotocin.
Microscale Radial-Flow Compressor Impeller Made of Silicon Nitride: Manufacturing and Performance (2004)

A microscale, high-speed compressor impeller (12 mm diameter, 800,000 rpm) was tested for feasibility in regard to aerodynamic performance. The compressor was designed for application in a first-sized gas turbine generator. To survive high stresses at such high temperatures, the rotor was manufactured as a single turbine/compressor/shaft unit in silicon nitride, by the Mold SDM process. Performance testing was conducted in a cold-flow rig at reduced speed of 420,000 rpm. Results from a CFD code compared favorably to measured data at this speed. Extrapolation from test conditions to full design speed was accomplished by application of CFD applied at both speeds.
On the real range-need of electric cars: a telematic-box data-driven analysis (2020)

Electric vehicles represent an effective weapon against pollution and global warming. In the last years, there has been an increasing effort by scientists, carmakers and governments to encourage the use of electric alternatives to conventional cars. Nevertheless, the market share of electric vehicles was still less than 2% in 2017, the main reason being the perception that battery ranges and infrastructures are not yet ready to satisfy the drivers’ needs. In this paper, we exploit a massive dataset of 35M trips for over 60k vehicles in a metropolitan city of Italy, to show instead that electric vehicles are already a feasible solution. Specifically, we show that, even if no public infrastructure is available, only 4% of existing vehicles cannot be turned into an equivalent electric car when considering also high-end vehicles with long battery ranges.
Sign of Gaussian curvature from curve orientation in photometric space (1998)

We compute the sign of Gaussian curvature using a purely geometric definition. Consider a point p on a smooth surface S and a closed curve /spl gamma/ on S which encloses p. The image of /spl gamma/ on the unit normal Gaussian sphere is a new curve /spl beta/. The Gaussian curvature at p is defined as the ratio of the area enclosed by /spl gamma/ over the area enclosed by /spl beta/ as /spl gamma/ contracts to p. The sign of Gaussian curvature at p is determined by the relative orientations of the closed curves /spl gamma/ and /spl beta/. We directly compute the relative orientation of two such curves from intensity data. We employ three unknown illumination conditions to create a photometric scatter plot. This plot is in one-to-one correspondence with the subset of the unit Gaussian sphere containing the mutually illuminated surface normal. This permits direct computation of the sign of Gaussian curvature without the recovery of surface normals. Our method is albedo invariant. We assume diffuse reflectance, but the nature of the diffuse reflectance can be general and unknown. Error analysis on simulated images shows the accuracy of our technique. We also demonstrate the performance of this methodology on empirical data.
Diffusion-Absorption and Flow Processes in Disordered Porous Media (2000)

This chapter reviews some rigorous methods to estimate effective properties associated with two different types of processes occurring in random porous media: diffusion-absorption and flow phenomena. In the first problem (that we will generally refer to as the "trapping problem"), our interest is in the trapping constant (or, equivalently, the mean survival time) and diffusion relaxation times. In the second problem, our interest is in the fluid permeability as well as in viscous relaxation times. We will review several topics: (i) microstructure characterization via statistical correlation functions; (ii) derivation of effective properties via homogenization theory; (iii) rigorous bounds on the effective properties in terms of correlation functions; and (iv) cross-property relations that rigorously link diffusion properties to flow properties.
Single-Genome Sequencing of Hepatitis C Virus in Donor-Recipient Pairs Distinguishes Modes and Models of Virus Transmission and Early Diversification (2015)

Despite the recent development of highly effective, interferon-sparing anti-hepatitis C virus (HCV) drugs, the global burden of this pathogen remains immense. Control or eradication of HCV will likely require the broad application of antiviral drugs and the development of an effective vaccine, which could be facilitated by a precise molecular identification of transmitted/founder (T/F) viral genomes and their progeny. We used single-genome sequencing to show that inferred HCV T/F sequences in recipients were identical to viral sequences in their respective donors and that viral genomes generally evolved early in infection according to a simple model of random sequence evolution. Altogether, the findings validate T/F genome inferences and illustrate how T/F sequence identification can illuminate studies of HCV transmission, immunopathogenesis, drug resistance development, and vaccine protection, including sieving effects on breakthrough virus strains.
The discovery of a potent Nav1.3 inhibitor with good oral pharmacokinetics (2017)

In this article, we describe the discovery of an aryl ether series of potent and selective Na<sub>v</sub>1.3 inhibitors. Based on structural analogy to a similar series of compounds we have previously shown bind to the domain IV voltage sensor region of Na<sub>v</sub> channels, we propose this series binds in the same location. We describe the development of this series from a published starting point, highlighting key selectivity and potency data, and several studies designed to validate Na<sub>v</sub>1.3 as a target for pain.
Convergent Access to Ketones, Vinyl Esters and Vinyl Bromides by a Tin‐Free Radical Addition‐Intramolecular Hydrogen Atom Transfer. (2003)

Abstract For Abstract see ChemInform Abstract in Full Text.
Exercise effects on postprandial glucose metabolism in type 1 diabetes: a triple-tracer approach (2015)

To determine the effects of exercise on postprandial glucose metabolism and insulin action in type 1 diabetes (T1D), we applied the triple tracer technique to study 16 T1D subjects on insulin pump therapy before, during, and after 75 min of moderate-intensity exercise (50% V̇o2max) that started 120 min after a mixed meal containing 75 g of labeled glucose. Prandial insulin bolus was administered as per each subject's customary insulin/carbohydrate ratio adjusted for meal time meter glucose and the level of physical activity. Basal insulin infusion rates were not altered. There were no episodes of hypoglycemia during the study. Plasma dopamine and norepinephrine concentrations rose during exercise. During exercise, rates of endogenous glucose production rose rapidly to baseline levels despite high circulating insulin and glucose concentrations. Interestingly, plasma insulin concentrations increased during exercise despite no changes in insulin pump infusion rates, implying increased mobilization of insulin from subcutaneous depots. Glucagon concentrations rose before and during exercise. Therapeutic approaches for T1D management during exercise will need to account for its effects on glucose turnover, insulin mobilization, glucagon, and sympathetic response and possibly other blood-borne feedback and afferent reflex mechanisms to improve both hypoglycemia and hyperglycemia.
Cholecystokinin receptor antagonist induces pancreatic stellate cell plasticity rendering the tumor microenvironment less oncogenic (2023)

CCK receptors are expressed on pancreatic cancer epithelial cells and blockade with receptor antagonists decreases tumor growth. Activated pancreatic stellate cells or myofibroblasts have also been described to express CCK receptors, but the contribution of this novel pathway in fibrosis of the pancreatic cancer microenvironment has not been studied. We examined the effects of the CCK peptide agonist and CCK receptor antagonists on activation, proliferation, collagen deposition, and migration in both murine and human PSCs. CCK receptor expression and subtype was examined by qRT-PCR and western analysis. Collagen production by activated PSCs was analyzed by mass spectroscopy and western blot. Mouse and human PSCs expressed both CCK-A and CCK-B receptors by qRT-PCR. Migration of activated PSCs was prevented in vitro by proglumide and the CCK-B receptor antagonist, L365,260, but not by the CCK-A receptor antagonist L365,718. Proglumide effectively decreased the expression of fibrosis-associated genes and collagen-associated proteins. Components of fibrosis, including hydroxyproline and proline levels were significantly reduced in PSC treated with proglumide compared to controls. CCK peptide stimulated mouse and human PSC proliferation and this effect was blocked by proglumide. These investigations demonstrate that targeting the CCK-B receptor signaling pathway with proglumide may alter plasticity of PSC rendering them more quiescent and leading to a decrease in fibrosis in the pancreatic cancer microenvironment.
The early stages of taxol biosynthesis: An interim report on the synthesis and identification of early pathway metabolites (2012)

The biosynthesis of the anti-cancer drug taxol (paclitaxel) has required the collaborative efforts of several research groups to tackle the synthesis and labeling of putative biosynthetic intermediates, in concert with the identification, cloning and functional expression of the biosynthetic genes responsible for the construction of this complex natural product. Based on a combination of precursor labeling and incorporation experiments, and metabolite isolation from Taxus spp., a picture of the complex matrix of pathway oxygenation reactions following formation of the first committed intermediate, taxa-4(5),11(12)-diene, is beginning to emerge. An overview of the current state of knowledge on the early-stages of taxol biosynthesis is presented.
ChemInform Abstract: SYNTHESIS AND PHARMACOLOGICAL ACTIVITY OF MODIFIED LEU‐ENKEPHALIN DERIVATIVES. III (1981)

The synthesis and pharmacological activity of Leu-enkephalins carrying a free or substituted carboxymethyl group at glycine-2-nitrogen are described.
Real Time Digital Signal Processing (2018)

In common with many other fields of electrical and electronic engineering, real-time digital signal processing (DSP) has revolutionized the processing of datastreams from phased arrays. As will be appreciated from the discussions in this book, modern radio telescopes such as LOFAR and MWA include beamformed stations (comprising individual elements) which are then correlated with each other to form the interferometric array; similarly, the ASKAP and APERTIF designs have PAF feeds on dishes, which again are correlated. In this chapter, we consider several threads of real-time DSP for correlation, beamforming and frequency channelizing.
Integrated High Speed Tunable Filter based on Super Compact Grating (2007)

We present an integrated high-speed tunable filter based on super compact grating on InP platform. The fabricated 4-channels filter demonstrates less than 500 nanosecond tuning speed with 200GHz pass band and ~3mm2 chip size.
ChemInform Abstract: Unexpected Polymeric String Formation Between Ag(I) and a Homoleptic Thioether Cage: Synthesis and Crystal Structure of [R,R′‐S6tricosane] and {[Ag(R,R′‐S6hexacosane)]TsO}∞. (1999)

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.
Iron/copper promoted fragmentation reactions of .alpha.-alkoxy hydroperoxides. The conversion of octalins into fourteen-membered ring macrolides (1985)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTIron/copper promoted fragmentation reactions of .alpha.-alkoxy hydroperoxides. The conversion of octalins into fourteen-membered ring macrolidesStuart L. Schreiber and Waifong LiewCite this: J. Am. Chem. Soc. 1985, 107, 10, 2980–2982Publication Date (Print):May 1, 1985Publication History Published online1 May 2002Published inissue 1 May 1985https://pubs.acs.org/doi/10.1021/ja00296a029https://doi.org/10.1021/ja00296a029research-articleACS PublicationsRequest reuse permissionsArticle Views1170Altmetric-Citations36LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Detection of Local Cu-to-Cu Bonding Defects in Wafer-to-Wafer Hybrid Bonding Using GHz-SAM (2018)

Abstract This paper demonstrates the application of GHz-SAM for the detection of local non-bonded regions between micron-sized Cu-pads in a wafer-to-wafer hybrid bonded sample. GHz-SAM is currently the only available non-destructive failure analysis technique that can offer this information on wafer level scale, with such high resolution.
Integration Capacity of Human Induced Pluripotent Stem Cell-Derived Cartilage (2018)

Cartilage particles derived from human induced pluripotent stem cells (hiPS-Carts) are one candidate source for transplants for treatment of articular cartilage damage. This study shows that hiPS-Carts integrate with each other in an <i>in vitro</i> model and analyzed the course of the integration. The integration starts at the perichondrium-like membrane at around 1 week and then progresses to the central cartilage within 4-8 weeks. The results indicate that FGF18 secreted from the perichondrium-like membrane accelerates the initial step of integration. The findings contribute to understanding how hiPS-Carts form repair tissue and provide clue to accelerate healing after transplantation.
X‐ray Diffraction and Theoretical Studies for the Quantitative Assessment of Intermolecular Arene–Perfluoroarene Stacking Interactions (2006)

The arene-perfluoroarene stacking interaction was studied by experimental and theoretical methods. A series of compounds with different possibilities for formation of this recognition motif in the solid state were synthesized, and their crystal structures determined by single-crystal X-ray diffraction. The crystal packing of these compounds, as well as the packing of related compounds retrieved from crystallographic databases, were analyzed with quantitative crystal potentials: total lattice energies and the cohesive energies of closest molecular pairs in the crystals were calculated. The arene-perfluoroarene recognition motif emerges as a dominant interaction in the non-hydrogen-bonding compounds studied here, to the point that asymmetric dimers formed over the stacking motif carry over to asymmetric units made of two molecules in the crystal both for pure compounds and for molecular complexes; however, inter-ring distances and angles range from 3.70 to 4.85 A and from 5 to 21 degrees , respectively. Pixel energy partitioning reveals that whenever aromatic rings stack, the largest cohesive energy contribution comes from dispersion, which roughly amounts to 20 kJ mol(-1) per phenyl ring, while the coulombic term is minor but significant enough to make a difference between the arene-arene or perfluoroarene-perfluoroarene interactions on the one hand, and arene-perfluoroarene interactions on the other, whereby the latter are favored by about 10 kJ mol(-1) per phenyl ring. No evidence of special interaction which can be attributed to HF confrontation was recognizable.
On Lieb-Robinson Bounds for the Double Bracket Flow (2022)

We consider the possibility of developing a Lieb-Robinson bound for the double bracket flow. This is a differential equation $$\partial_B H(B)=[[V,H(B)],H(B)]$$ which may be used to diagonalize Hamiltonians. Here, $V$ is fixed and $H(0)=H$. We argue (but do not prove) that $H(B)$ need not converge to a limit for nonzero real $B$ in the infinite volume limit, even assuming several conditions on $H(0)$. However, we prove Lieb-Robinson bounds for all $B$ for the double-bracket flow for free fermion systems, but the range increases \emph{exponentially} with the control parameter $B$.
STA-4783 induces apoptosis and enhances the anticancer activity of paclitaxel through induction of oxidative stress (2007)

B274 Background: STA-4783 is a novel small molecule that induces oxidative stress in cancer cells. It is being evaluated in metastatic melanoma with a Phase 3 trial beginning in 2007. In a Phase 2b double-blind, randomized, controlled trial in patients with Stage IV metastatic melanoma, treatment with STA-4783 plus paclitaxel achieved the primary endpoint of increasing progression-free survival relative to treatment with paclitaxel alone (median PFS: 112 days vs. 56 days, respectively; p= 0.035, log-rank). This presentation will describe the mechanism of action of STA-4783. Methods: Transcriptional profiling was performed on human melanoma cell lines treated with STA-4783.The induction of Hsp70 RNA was monitored by QPCR. Reactive oxygen species (ROS) were measured using the Carboxy-H2DCFDA probe. Apoptosis was assayed by flow cytometry using an Annexin V specific probe. The antioxidants N-Acetyl Cysteine (NAC) and Tiron were used to assess the role of ROS. Results: STA-4783 treatment induced the generation of ROS and the expression of ROS-regulated genes. ROS induction was correlated with the oxidation of cardiolipin in mitochondria, a decrease in mitochondrial membrane potential, and the release of cytochrome c from the mitochondria leading to caspase activation and apoptosis. The antioxidants NAC and Tiron blocked the induction of ROS by STA-4783 and apoptotic cell death. Conclusions: STA-4783 is a potent inducer of oxidative stress in cancer cells. Cancer cells produce more ROS and exist under an elevated level of oxidative stress relative to normal cells. This elevated level of oxidative stress makes cancer cells highly susceptible to insults that further increase ROS. In this way, STA-4783 takes advantage of a fundamental and unique property of transformed cells in order to selectively kill them with little effect on normal cells. STA-4783 enhances the efficacy of taxanes, and other chemotherapies, by facilitating the ability of these agents to induce apoptosis without introducing acceptable additional toxicity.
Characterization and Polymerization of Metal Complexes of Poly(ethylene glycol) Diacrylates and the Synthesis of Polymeric Pseudocrown Ethers (2000)

Polymeric pseudocrown ether networks were formed in situ by the photopolymerization of poly(ethylene glycol) diacrylate (PEGDA)/transition metal complexes. The metal−monomer complex led to a near circular conformation of the monomer in which the two reactive end groups are brought into close proximity; thus, the probability of intramolecular cyclization (i.e., pseudocrown ether formation) is increased. Complexes of cobalt(II), nickel(II), zinc(II), cadmium(II), chromium(III), copper(II), neodymium(III), and lithium were characterized using FTIR and UV−vis spectroscopy. Metal−monomer interactions were characterized and the importance of coordinated water and anions was elucidated. A novel technique of replacing coordinated waters by monomeric ether oxygens was discovered. Pseudocrown ether network formation was confirmed via a study of the polymerization kinetics of cobalt(II):PEGDA systems in which a decrease in autoacceleration was observed with increasing pseudocrown ether formation.
Montanide, Poly I:C and nanoparticle based vaccines promote differential suppressor and effector cell expansion: a study of induction of CD8 T cells to a minimal Plasmodium berghei epitope (2015)

The development of practical and flexible vaccines to target liver stage malaria parasites would benefit from an ability to induce high levels of CD8 T cells to minimal peptide epitopes. Herein we compare different adjuvant and carrier systems in a murine model for induction of interferon gamma (IFN-γ) producing CD8 T cells to the minimal immuno-dominant peptide epitope from the circumsporozoite protein (CSP) of Plasmodium berghei, pb9 (SYIPSAEKI, referred to as KI). Two pro-inflammatory adjuvants, Montanide and Poly I:C, and a non-classical, non-inflammatory nanoparticle based carrier (polystyrene nanoparticles, PSNPs), were compared side-by-side for their ability to induce potentially protective CD8 T cell responses after two immunizations. KI in Montanide (Montanide + KI) or covalently conjugated to PSNPs (PSNPs-KI) induced such high responses, whereas adjuvanting with Poly I:C or PSNPs without conjugation was ineffective. This result was consistent with an observed induction of an immunosuppressed environment by Poly I:C in the draining lymph node (dLN) 48 h post injection, which was reflected by increased frequencies of myeloid derived suppressor cells (MDSCs) and a proportion of inflammation reactive regulatory T cells (Treg) expressing the tumor necrosis factor receptor 2 (TNFR2), as well as decreased dendritic cell (DC) maturation. The other inflammatory adjuvant, Montanide, also promoted proportional increases in the TNFR2(+) Treg subpopulation, but not MDSCs, in the dLN. By contrast, injection with non-inflammatory PSNPs did not cause these changes. Induction of high CD8 T cell responses, using minimal peptide epitopes, can be achieved by non-inflammatory carrier nanoparticles, which in contrast to some conventional inflammatory adjuvants, do not expand either MDSCs or inflammation reactive Tregs at the site of priming.