gebhart/patrepeval huggingface dataset:
Towards “cleaner” olefin metathesis: tailoring the NHC ligand of second generation ruthenium catalysts to afford auxiliary traits (2014)

The increasing use of olefin metathesis in practical syntheses led to a greater demand for tailored catalysts that offer not only high reactivity and stability in the presence of impurities, but also improved handling characteristics, such as custom solubility profiles, simpler post-reaction workup and easier removal of ruthenium residues from the products. Due to mechanistic considerations, the most appropriate way to create such compounds is to decorate known catalysts with utility related tags placed in nonlabile ligands. This critical review summarizes how the NHC ligand can be modified to confer novel auxiliary traits and examines the practical consequences of these modifications.
Channel Estimation Approach for RIS Assisted MIMO Systems (2021)

Reconfigurable Intelligent Surfaces (RISs) are planner surfaces that include a large number of passively radiating elements. By changing the phase shifts of these passive elements, RISs can shape the propagation environment. This requires accurate channel state information. However, the Channel Estimation (CE) process is challenging because transmitting and/or signal processing means being unworkable at the RIS. This paper investigates the CE problem for an Uplink (UL) channel for a RIS-aided Multi-user Multiple-Input Multiple-Output (MU-MIMO) system. In particular, we propose an algorithm to estimate the composite channel, the separate RIS-based channels, and the direct channel for the RIS-assisted system by exploiting symmetric positive definite (SPD) properties matrices; e.g., invertibility and existence of global minimum, and the uniqueness of the Chelosky decomposition. We divide the entire RIS surface into small sub-RISs, and by controlling the changes in these phase shifts for every sub-RIS surfaces, we can estimate the overall channel. Moreover, we propose a simple passive pilot sequence scheduling scheme and jointly adjusting the phase shift coefficients of elements on each sub-RIS unit. Simulation results justify the efficiency and effectiveness of the proposed approach algorithm.
L'hydrolyse des hétérosides terpéniques du Muscat a petits grains par les enzymes périplasmiques de <em>Saccharomyces cerevisiae</em> (1988)

&lt;p style="text-align: justify;"&gt;Osidases located in periplasmic space of &lt;em&gt;Saccharomyces cerevisiae&lt;/em&gt; are able to hydrolyse monoterpenes heterosides of Muscat grapes. To prepare the periplasmic extract, yeast cell walls are digested with &lt;em&gt;Zymolyase&lt;/em&gt; in the presence of an osmotic protector to prevent lysis of the resulting protoplasts; periplasmic enzymes are liberated into the supernatant medium. Monoterpenes heterosides are incubated 48 or 72 hours at 25° C with either intact yeast cells or periplasmic enzymatic extract. Monoterpenes, especially gerianol and nerol, are liberated in these conditions. β-glucosidase activity seems to play an important rôle in these reactions.&lt;/p&gt;&lt;p style="text-align: justify;"&gt;Fungal extracellular β-glucosidases are commonly strongly inhibited by glucose. Surprisingly, the activity of periplasmic yeast β-glucosidase is quite glucose independant. These results suggest that some periplasmic enzymes from yeast may be involved in the hydrolysis of varietal aroma precursors in wines.&lt;/p&gt;
Synthesis of 2,3‐trans‐3,4‐trans‐2‐Aryl‐3‐alkyl/aryl Chroman‐4‐ols. (2005)

Abstract For Abstract see ChemInform Abstract in Full Text.
Kallikrein-related peptidase 4 induces tumour microenvironment alterations that support tumour growth (2015)

Kallikrein-related peptidase 4
(KLK4) is a protease with elevated production
in prostate cancer versus benign tissue.
KLK4 expression is associated with
prostate cancer risk, and its activity
favours tumour progression through
increasing cell motility and growth.
Importantly, over-production of KLK4 in
prostate glandular cells precedes tumour
formation, positioning the enzyme to play
a role in early remodelling of the tumour
microenvironment, a process essential for
tumour growth. We sought to identify the
proteins and downstream signalling pathways
targeted by KLK4 activity, to define
its role in tumour microenvironment
remodelling and evaluate the efficacy of
KLK4 inhibition as a cancer therapy.
Transition dynamics of soliton molecules in passively mode- locked fiber lasers (2020)

Real-time spectroscopy unveils the build-up and transient dynamics of ultrashort pulses. Here, we experimentally characterize the evolution scenario of single soliton and bi-/tri-soliton molecules, further highlighting the underlying transition dynamics.
ChemInform Abstract: KINETICS OF THE TOPOCHEMICAL REACTION BETWEEN CALCIUM CHLORIDE FLUORIDE AND HYDROGEN FLUORIDE (1983)

Abstract Bez. der Anwendung von CaCl 2 als festes Absorbens für die Entfernung von HF aus den Abgasen der Freon‐Produktion wurde festgestellt, daß die Gesamtreaktion A in zwei Schritten (B, C) über die Bildung von CaClF verläuft.
Minimum Deepwater Production Risers: Design, Construction, Assessment of Interference (2009)

Over the last ten years, Acergy has gained experience in all types of flowlines (rigid, flexibles, bundles) and risers (SCR’s Flexibles, single and bundle Hybrid riser Towers). Acergy has also pioneered the use of Hybrid Riser Towers (HRT) and have completed in 2007 the design and construction of the largest bundle HRT. This paper describes the basis of the design of those towers and how they can be standardized to reduce cost. First are identified the functional requirements of the riser systems including those regarding flow assurance. Then the paper further deals with the impact of the risers on the field layout with due account for the interference of the risers between themselves including the effect of VIV. For the selected concept it successively deals with their architecture, the engineering, the fabrication and the installation.
Seamless Metallic Coating and Surface Adhesion of Self-Assembled Bioinspired Nanostructures Based on Di-(3,4-dihydroxy-l-phenylalanine) Peptide Motif (2014)

The noncoded aromatic 3,4-dihydroxy-L-phenylalanine (DOPA) amino acid has a pivotal role in the remarkable adhesive properties displayed by marine mussels. These properties have inspired the design of adhesive chemical entities through various synthetic approaches. DOPA-containing bioinspired polymers have a broad functional appeal beyond adhesion due to the diverse chemical interactions presented by the catechol moieties. Here, we harnessed the molecular self-assembly abilities of very short peptide motifs to develop analogous DOPA-containing supramolecular polymers. The DOPA-containing DOPA-DOPA and Fmoc-DOPA-DOPA building blocks were designed by substituting the phenylalanines in the well-studied diphenylalanine self-assembling motif and its 9-fluorenylmethoxycarbonyl (Fmoc)-protected derivative. These peptides self-organized into fibrillar nanoassemblies, displaying high density of catechol functional groups. Furthermore, the Fmoc-DOPA-DOPA peptide was found to act as a low molecular weight hydrogelator, forming self-supporting hydrogel which was rheologically characterized. We studied these assemblies using electron microscopy and explored their applicative potential by examining their ability to spontaneously reduce metal cations into elementary metal. By applying ionic silver to the hydrogel, we observed efficient reduction into silver nanoparticles and the remarkable seamless metallic coating of the assemblies. Similar redox abilities were observed with the DOPA-DOPA assemblies. In an effort to impart adhesiveness to the obtained assemblies, we incorporated lysine (Lys) into the Fmoc-DOPA-DOPA building block. The assemblies of Fmoc-DOPA-DOPA-Lys were capable of gluing together glass surfaces, and their adhesion properties were investigated using atomic force microscopy. Taken together, a class of DOPA-containing self-assembling peptides was designed. These nanoassemblies display unique properties and can serve as multifunctional platforms for various biotechnological applications.
Effects of Polypeptide Conformation and Surface Bonding on Static Secondary Ion Mass Spectra (1996)

For the first time, the α-helical homopolypeptide poly(γ-benzyl-L-glutamate) (PBLG) was synthesized by solid-phase methods. A 10 residue PBLG sample (10-mer) was prepared which exhibited a β-sheet configuration, and a 15 repeat unit PBLG sample (15-mer) was made which displayed partial α-helical character. Solvent-cast thin films of these peptides were deposited on both gold and silver and analyzed by time-of-flight static secondary ion mass spectrometry (ToF-SSIMS). The PBLG 10-mer spectra consisted of a strong molecular ion (cationized with Na or Ag) and less-pronounced fragments spaced by the benzyl glutamate mass (n-mers) attributed to SSIMS fragmentation. Contrary to this, the PBLG 15-mer did not provide an intact molecular ion, and only low-massn-mer species were observed. Thesen-mers are believed to be a product of SSIMS-induced molecular fragmentation that is enhanced by the peptide α-helical conformation. A disulfide moiety (SS) was also coupled to the 10-mer and 15-mer N-termini (10-merSS and 15-merSS) to provide a functional group for self-assembly on gold. Molecular ions were observed from solvent-cast films of these samples, verifying the presence of the SS cap. However, self-assembled monolayers of these peptides on gold generated weak SSIMS signals which primarily reflect the strong binding of the SS group to the substrate.
Human Neuraminidases Have Reduced Activity Towards Modified Sialic Acids on Glycoproteins (2020)

This work investigated the substrate specificity of hNEU enzymes for a glycoprotein substrate (bovine submaxillary mucin) containing 9-O-acetylated and Neu5Gc residues. Using this model substrate, we observe a general trend for hNEU tolerance of Neu5Ac>Neu5Gc>>>Neu5,9Ac2, consistent with our previous results with glycolipid substrates. These results expand our understanding of hNEU enzyme specificity and suggest that naturally occurring modifications of sialic acids can play a role in regulating hNEU activity.
The Information Construction of College Employment System Based on Asp.net (2013)

In order to meet the needs of ever-changing university employment information construction work, and the employer can provide more convenient and efficient recruitment, university employment information network plays an important role on em ploying information technology recruitment. Study of the current information technology university employment recruitment prob lems in the employment of university recruitment network module for building ideas and requirements analysis, design recruitment four functions of information technology.The system was developed, with high scalability, maintainability, testability. Practice provedthatthe systemeasyto use,error rate, on social development and the railway industry to make a significant contribution.
Therapeutic potential of a bi‐functional GLP‐1/Glibenclamide targeted to the pancreatic β‐cell (2013)

Glucagon like Peptide 1 (GLP‐1) analogs and sulfonyurea drugs are used clinically to enhance pancreatic β‐cell function and treat diabetes. However, rapid degradation and off‐target effects limit their usefulness. Here we describe an approach for targeting β‐cells by synthesizing a bi‐functional agent composed GLP‐1 attached via a flexible linker to a Sulfonyurea receptor antagonist Glibenclamide (Glb). Microscopy shows that this bivalent ligand (Cy5 tagged) binds to, and is rapidly internalized into βTC3 cells which express both receptors. However, GLP‐1/Glb‐Cy5 did not bind significantly to PANC‐1 cells and exhibited right shifted binding to cells that express only one receptor. Glb increases cell Ca 2+ and GLP‐1 elevates cAMP. In βTC3 cells, GLP‐1/Glb elicits a half maximal Ca 2+ response at ~10nM, but the magnitude of the maximal Ca 2+ response was significantly less than that observed for monomeric Glb (~25% of the Glb increase). Unlike the Ca 2+ response, cAMP production over a range of concentrations elicited by GLP‐1 and GLP‐1/Glb were essentially equal. Even though Ca 2+ signaling is reduced, glucose activated insulin secretion remains potentiated by the GLP‐1/Glb ligand (353 +/− 63% increase). The bivalent ligand binds specifically to both receptors and activates signaling in β‐cells. These data suggest that the GLP‐1/Glb ligand has potential as a β‐cell specific therapeutic. Supported by JDRF
Detecting RNA–Protein Interactions With EGFP‐Cy3 FRET by Acceptor Photobleaching (2023)

Förster Resonance Energy Transfer (FRET) is a great tool for cell biologists to investigate molecular interactions in live specimens. FRET is a distance-dependent phenomenon which can detect molecular interactions at distances between 1-10 nm. Several FRET approaches are reported in the literature for live and fixed cells to study protein-protein interactions; this protocol provides details of acceptor photobleaching as a FRET method to study RNA-Protein interactions. Cy3-labeled RNA foci (FRET acceptors) are photobleached at the intra-cellular site of interest (the nuclei) and the intensity of the EGFP-tagged proteins (FRET donors) at that same site are measured pre- and post- photobleaching. In principle, FRET is detected if the intensity of EGFP increases after photobleaching of Cy3. This protocol describes necessary steps and appropriate controls to conduct FRET measurements by the acceptor photobleaching method. Successful applications of this protocol will provide data to support the conclusion that EGFP-labeled proteins directly interact with Cy3-labeled RNA at the site of photobleaching. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC. Basic Protocol: FRET in fixed cells Alternate Protocol: FRET in live cells.
Improvement of hydrothermal stability of MCM-41 mesoporous molecular sieve (1999)

D. Das, C. Tsai and S. Cheng, Chem. Commun., 1999, 473 DOI: 10.1039/A809815H
Update on the american urological association guidelines for the treatment of benign prostatic hyperplasia. (2006)

The updated 2003 American Urological Association (AUA) Guidelines for the treatment of benign prostatic hyperplasia (BPH) are the culmination of an exhaustive effort predicated on scientifically accepted methods of reviewing the medical literature. In this second publication of the guidelines, a multidisciplinary panel reviewed a new meta-analysis of outcome data from the BPH literature from before and after 1994. The major differences between the 2 guidelines are the changes in our understanding of the biology of the prostate and the introduction of new therapies. The vast majority of randomized controlled trials, particularly with respect to minimally invasive therapies and progression of BPH, were performed after the release of the 1994 guidelines. Also, the most recent AUA panel carefully reviewed unpublished data to make the guidelines as timely as possible. Studies that were subsequently published included those on the value of combination medical therapy for BPH. The panel agreed on updated recommendations for the treatment of moderate-to-severe lower urinary tract symptoms associated with BPH, and diagnostic algorithms were revised. The durability and utility of the present guidelines should exceed that of its predecessor.
A Combined Mg-25 Solid-State NMR and Ab Initio DFT Approach to Probe the Local Structural Differences in Magnesium Acetate Phases Mg(CH3COO)(2)center dot nH(2)O (n=0,1,4) (2018)

Multinuclear (H-1, C-13, Mg-25) solid-state NMR data is reported for a series of magnesium acetate phases Mg(CH3COO)(2)nH(2)O (n=0 (two polymorphs), 1, 4). The central focus here is Mg-25 as this set of compounds provides an expanded range of local magnesium coordinations compared to what has previously been reported in the literature using NMR. These four compounds provide 10 distinct magnesium sites with varying NMR interaction parameters. One of the anhydrous crystal structures () has an MgO7 site which is reported, to the best of our knowledge, for the first time. For those phases with a single crystal structure, a combination of magic angle spinning (MAS) NMR at high magnetic field (20T) and first principles density functional theory (DFT) calculations demonstrates the value of including Mg-25 in NMR crystallography approaches. For the second anhydrate phase (), where no single crystal structure exists, the multinuclear NMR data clearly show the multiplicity of sites for the different elements, with Mg-25 satellite transition (ST) MAS NMR revealing four inequivalent magnesium environments, which is new information constraining future refinement of the structure. This study highlights the sensitivity of Mg-25 NMR to the local environment, an observation important for several sub-disciplines of chemistry where the structural chemistry of magnesium is likely to be crucial.
INDIVIDUALISED CALCULATION OF TISSUE IMPARTED ENERGY IN BREAST TOMOSYNTHESIS (2016)

The imparted energy to the glandular tissue in the breast (glandular imparted energy, GIE) is proposed for an improved assessment of the individual radiation-induced risk resulting from X-ray breast imaging. GIE is computed from an estimation of the quantity and localisation of glandular tissue in the breast. After a digital breast tomosynthesis (DBT) acquisition, the volumetric glandular content (volumetric breast density, VBD) is computed from the central X-ray projection. The glandular tissue distribution is determined by labelling the DBT voxels to ensure the conservation of the VBD. Finally, the GIE is calculated by Monte Carlo computation on the resulting tissue-labelled DBT volume. For verification, the method was applied to 10 breast-shaped digital phantoms made of different glandular spheres in an adipose background, and to a digital anthropomorphic phantom. Results were compared to direct GIE computations on the phantoms considered as 'ground-truth'. The major limitations in accuracy are those of DBT, in particular the limited z-resolution. However, for most phantoms, the results can be considered as acceptable.
Procédés de frittage PIM (2011)

Le procédé de moulage par injection de poudre, PIM, permet d’obtenir des pièces complexes, même de petite taille. Découvrez-en les étapes, de la préparation du feedstock au frittage ne passant par le deliantage.
A Derivative of Chrysin Suppresses Two-Stage Skin Carcinogenesis by Inhibiting Mitogen- and Stress-Activated Kinase 1 (2013)

Mitogen- and stress-activated kinase 1 (MSK1) is a nuclear serine/threonine protein kinase that acts downstream of both extracellular signal-regulated kinases and p38 mitogen-activated protein kinase in response to stress or mitogenic extracellular stimuli. Increasing evidence has shown that MSK1 is closely associated with malignant transformation and cancer development. MSK1 should be an effective target for cancer chemoprevention and chemotherapy. However, very few MSK1 inhibitors, especially natural compounds, have been reported. We used virtual screening of a natural products database and the active conformation of the C-terminal kinase domain of MSK1 (PDB id 3KN) as the receptor structure to identify chrysin and its derivative, compound 69407, as inhibitors of MSK1. Compared with chrysin, compound 69407 more strongly inhibited proliferation and 12-O-tetradecanoylphorbol-13-acetate (TPA)-induced neoplastic transformation of JB6 P+ cells with lower cytotoxicity. Western blot data demonstrated that compound 69407 suppressed phosphorylation of the MSK1 downstream effector histone H3 in intact cells. Knocking down the expression of MSK1 effectively reduced the sensitivity of JB6 P+ cells to compound 69407. Moreover, topical treatment with compound 69407 before TPA application significantly reduced papilloma development in terms of number and size in a two-stage mouse skin carcinogenesis model. The reduction in papilloma development was accompanied by the inhibition of histone H3 phosphorylation at Ser10 in tumors extracted from mouse skin. The results indicated that compound 69407 exerts inhibitory effects on skin tumorigenesis by directly binding with MSK1 and attenuates the MSK1/histone H3 signaling pathway, which makes it an ideal chemopreventive agent against skin cancer.
Unprecedented Living Olefin Polymerization Derived from an Attractive Interaction between a Ligand and a Growing Polymer Chain (2003)

Ti complexes incorporating fluorine-containing phenoxy-imine chelate ligands (fluorinated Ti-FI catalysts) have been demonstrated to induce an unprecedented living polymerization effect with both ethylene and propylene, through an attractive interaction between the fluorine atom in the ligand and a beta-hydrogen atom on the growing polymer chain. With the aid of this attractive interaction, highly controlled living ethylene polymerization, highly-syndiospecific living propylene polymerization, the synthesis of unique block copolymers from ethylene and propylene, and the catalytic production of monodisperse polyethylene and Zn-terminated polyethylene have been realized. The attractive interaction provides a conceptually new strategy for the achievement of controlled living olefin polymerization.
Nitric oxide suppression reversibly attenuates mitochondrial dysfunction and cholestasis in endotoxemic rat liver† (1998)

This study aimed to examine whether nitric oxide (NO) plays a causal role in endotoxin-induced dysfunction of biliary transport. Rats were treated with intraperitoneal injection of endotoxin (O111B4, 4 mg/kg). At 2 hours, the liver was excised and perfused ex vivo with taurocholate (TC)-containing Krebs-Ringer solution under monitoring bile output and NO2 in the perfusate and tissue cyclic guanosine monophosphate (cGMP) levels as indices of NO production. The endotoxin treatment evoked a marked decrease in the bile acid-dependent bile formation concurrent with the increasing NO2 output, cGMP elevation, and a reduction of hepatic adenosine triphosphate (ATP) contents and oxygen consumption. Perfusion with 1 mmol/L aminoguanidine (AG), an inhibitor of inducible NO synthase, but not with L-nitroarginine methyl ester, an inhibitor of the constitutive form of the enzyme, significantly reversed the endotoxin-induced increment of the bile formation in concert with the recovery of oxygen consumption and ATP levels. Laser confocal microfluorography of the liver lobules using rhodamine 123 (Rh), a fluoroprobe sensitive to mitochondrial membrane potential, revealed that endotoxin elicited a significant mitochondrial dysfunction panlobularly. The AG administration reversed the endotoxin-induced decrease in mitochondrial membrane potential. Collectively, up-regulation of NO by inducible NO synthase accounts for a mechanism through which endotoxin impairs the bile formation, and its suppression serves as a therapeutic strategy for improvement of hepatobiliary function.
Energy Disaggregation via Discriminative Sparse Coding (2010)

Energy disaggregation is the task of taking a whole-home energy signal and separating it into its component appliances. Studies have shown that having devicelevel energy information can cause users to conserve significant amounts of energy, but current electricity meters only report whole-home data. Thus, developing algorithmic methods for disaggregation presents a key technical challenge in the effort to maximize energy conservation. In this paper, we examine a large scale energy disaggregation task, and apply a novel extension of sparse coding to this problem. In particular, we develop a method, based upon structured prediction, for discriminatively training sparse coding algorithms specifically to maximize disaggregation performance. We show that this significantly improves the performance of sparse coding algorithms on the energy task and illustrate how these disaggregation results can provide useful information about energy usage. 1