gebhart/patrepeval huggingface dataset:
A New Class of Polyintercalating Molecules (1997)

We have synthesized a series of polyintercalating compounds, including the first known tetraintercalator, based on the 1,4,5,8-naphthalenetetracarboxylic diimide chromophore. The chromophores are attached in a head-to-tail arrangement by peptide linkers and are synthesized by standard solid phase peptide synthesis methods. We report evidence, based on UV−visible spectroscopy and viscometry, that the compounds are fully intercalated upon binding to double-stranded DNA. Using DNAse I footprinting experiments, the bisintercalator 2 was found to bind to DNA in a cooperative manner. The footprinting results as well as association and dissociation kinetics data reveal that the compounds exhibit a tremendous preference for GC over AT sequences. A mode of binding is proposed in which the compounds intercalate completely from the major groove, and not in a threading manner as may be suggested by their structures. A kinetic scheme is proposed that takes into account the observed cooperativity and fits the data for the dissociations of the polyintercalators from poly(dAdT), although a similar scheme could not adequately model their dissociations from poly(dGdC) or from calf thymus DNA.
Gas permeability and hydrocarbon solubility of poly[1-phenyl-2-[p-(triisopropylsilyl)phenyl]acetylene] (2000)

The effects of film thickness, physical aging, and methanol conditioning on the solubility and transport properties of glassy poly[1-phenyl-2-[p-(triisopropylsilyl) phenyl]acetylene] are reported at 35 °C. In general, the gas permeability coefficients are very high, and this polymer is more permeable to larger hydrocarbons (e.g., C3H8 and C4H10) than to light gases such as H2. The gas permeability and solubility coefficients are higher in as-cast, unaged films than in as-cast films aged at ambient conditions and increase to a maximum in both unaged and aged as-cast films after methanol conditioning. For example, the oxygen permeability of a 20-μm-thick as-cast film is initially 100 barrer and decreases to 40 barrer after aging for 1 week at ambient conditions. After methanol treatment, the oxygen permeabilities of unaged and aged films increase to 430 and 460 barrer, respectively. Thicker as-cast films have higher gas permeabilities than thinner as-cast films. Propane and n-butane sorption isotherms suggest significant changes in the nonequilibrium excess free volume in these glassy polymer films due to processing history. For example, the nonequilibrium excess free volume estimated from the sorption data is similar for as-cast, unaged samples and methanol-conditioned samples; it is 100% higher in methanol-conditioned films than in aged, as-cast films. The sensitivity of permeability to processing history may be due in large measure to the influence of processing history on nonequilibrium excess free volume and free volume distribution. The propane and n-butane diffusion coefficients are also sensitive to film processing history, presumably because of the dependence of diffusivity on free volume and free volume distribution. © 2000 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 38: 1474–1484, 2000
Le città europee : societa urbane, globalizzazione, governo locale (2006)

Nell'orizzonte della società postindustriale le città sono al centro di una duplice tensione: da un lato tra dimensione locale e globale, dall'altro tra cooperazione e competizione. A partire da una ricostruzione del rapporto tra città e stati in Europa dal Medioevo ai nostri giorni, questa lucida analisi di Le Galès - oggi tra le massime autorità internazionali sul governo locale e le politiche urbane - mostra come le nostre città stanno cambiando, ma anche ritrovando una propria inesauribile identità. (Résumé éditeur)
Semi-rational approach for converting a GH36 α-glycosidase into an α-transglycosidase (2014)

A large number of retaining glycosidases catalyze both hydrolysis and transglycosylation reactions. In order to use them as catalysts for oligosaccharide synthesis, the balance between these two competing reactions has to be shifted toward transglycosylation. We previously designed a semi-rational approach to convert the Thermus thermophilus β-glycosidases into transglycosidases by mutating highly conserved residues located around the -1 subsite. In an attempt to verify that this strategy could be a generic approach to turn glycosidases into transglycosidases, Geobacillus stearothermophilus α-galactosidase (AgaB) was selected in order to obtain α-transgalactosidases. This is of particular interest as, to date, there are no efficient α-galactosynthases, despite the considerable importance of α-galactooligosaccharides. Thus, by site-directed mutagenesis on 14 AgaB residues, 26 single mutants and 22 double mutants were created and screened, of which 11 single mutants and 6 double mutants exhibited improved synthetic activity, producing 4-nitrophenyl α-d-galactopyranosyl-(1,6)-α-d-galactopyranoside in 26-57% yields against only 22% when native AgaB was used. It is interesting to note that the best variant was obtained by mutating a second-shell residue, with no direct interaction with the substrate or a catalytic amino acid. As this approach has proved to be efficient with both α- and β-glycosidases, it is a promising route to convert retaining glycosidases into transglycosidases.
ChemInform Abstract: Various Operator Formalisms for the Description of Pulse Methods in NMR (1991)

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.
A NONADIABATIC DESCRlPTlON OF ELECTRON TRANSFER INVOLVlNG LARGE FREE ENERGY CHANGES (1974)

The electron transfer reaction within a donor-acceptor, solvent separated ion pair (‘AZ . . . . *D:) leading to IXcited singlet, excited triplet, and ground stale products is studied within the iramcwork of tic theorv of nonradiative Cransitions. Inner sphere as well as Ouier sphere rearrangement processes are included. The nonadiabruc model presented here predicts an almost linear dcpendcncc of Ink upon the free energy change & in tie abnormal free cncr6y region in contrast to the quadratic depcndcncc predicted by conventional Marcus electron transfer theory. Experimental evidence concerning the quantum yield and kinetics of rhe chemilumincscent electron transfer rcaction between the anion radical and the cation radical of 9.lO-diphenylanlhraccnc is presented to demonstrate that the nonadhbatic electron transfer description results in a closer agreement between theory and experiment for the abnormid free energy region rhan does an adiabatic theory or its gcncmiized version contai%g a precxponcntial factor, K. which might be calcularcd by a Landau-Zencr type formula. However, the present theory still falls short in quantitatively explaining rhe rclalively large observed rates leading to the ground state products, which involve Iargc changes in the free energy AF’. It is argued that second order transfer processes involving strongly coupling intermediate states can resolve the remaining discrepancy.
Characterization of phase change memory materials using phase change bridge devices (2009)

Having become one of the most promising candidates for future nonvolatile memory applications, phase change random access memory is now driving an intensive search for phase change materials with optimized properties. In this paper, phase change bridge devices are utilized as a unique material test vehicle, allowing systematic extraction of crucial material parameters such as resistance contrast, switching speed, threshold voltage, and set and reset power. Bridge devices fabricated from undoped Ge15Sb85 are presented that reproducibly switch between set and reset states with one decade resistance contrast using current pulses as short as 10 ns. Since devices are fabricated in the amorphous-as-deposited phase, an interesting intermediate device state can be produced, which we attribute to a crystalline center region that fails to completely bridge the amorphous active device volume. The subtle differences between the amorphous-as-melt-quenched and amorphous-as-deposited phases are explored using both bridge devices and optical experiments. It is shown that the large difference in crystallization times between these two amorphous states observed in laser experiments is reflected also in device operation.
Rapid Charge and Discharge Property of High Capacity Lithium Ion Battery applying 3D-Patterned Electrode (2012)

Abstract not Available.
Traffic management for B-ISDN services (1992)

A set of asynchronous transfer mode (ATM) bearer service categories, differentiated in terms of quality of service (QOS), that will support the large spectrum of applications expected in broadband integrated services digital networks (B-ISDN) is defined. The evolution of applications and the traffic requirements in B-ISDN/ATM networks are described, and the evolution of network services to address these requirements is discussed. The definition of ATM bearer service categories necessary for the economical support of initial applications and evolution to future B-ISDN services is proposed. The elements of the ATM traffic management strategy to support these service categories are presented.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Figure S2 from Vaccination with Designed Neopeptides Induces Intratumoral, Cross-reactive CD4<sup>+</sup> T-cell Responses in Glioblastoma (2023)

&lt;p&gt;PBMCs collected before vaccination show low/no response to candidate vaccine peptides. (A) The nomenclature of the N-peptides and D-neopeptides. I or II indicate if the peptides were chosen/designed for HLA class I or -II binding; MUT/RNA/GBM indicates a naturally mutated peptide (MUT), derivation from the over-/highly expressed genes (RNA) or from known glioblastoma (GBM) targets; X indicates the number of the peptide; 0 or 1 indicate if the peptides had been artificially mutated (1) or not (0); (’) indicates that peptides contained the naturally mutated amino acid. (B) PBMCs collected before vaccination were stimulated with 4 μg/mL Tetanus toxoid or 2 μM CEF II peptide pool for 7 days, and proliferation was measured by ³H-thymidine incorporation assay. The proliferation strength is depicted as counts per minute (cpm). In each group, the N-peptides and their corresponding D-neopeptides are included, and the designed mutated positions are highlighted in the red box. The blue dotted line indicates the mean value of the no peptide control. The red dotted line indicates the mean value plus three standard deviations of the no peptide control. Values above the red dotted line were considered positive. (C) PBMCs collected before vaccination were stimulated with 5 μM predicted class I-peptides, including N-peptides and D-neopeptides, for 7 days, and proliferation was measured by ³H-thymidine incorporation assay. 10-15 replicate wells were tested for proliferation, and responses were depicted as cpm. (D) PBMCs collected before vaccination were stimulated with 5 μM predicted class II-peptides, including N-peptides and D-neopeptides, for 7 days, and proliferation was measured by ³H-thymidine incorporation assay. 10-15 replicate wells were tested for proliferation, and responses were depicted as cpm.&lt;/p&gt;
Small Molecule Suppressors of Drosophila Kinesin Deficiency Rescue Motor Axon Development in a Zebrafish Model of Spinal Muscular Atrophy (2013)

Proximal spinal muscular atrophy (SMA) is the most common inherited motor neuropathy and the leading hereditary cause of infant mortality. Currently there is no effective treatment for the disease, reflecting a need for pharmacologic interventions that restore performance of dysfunctional motor neurons or suppress the consequences of their dysfunction. In a series of assays relevant to motor neuron biology, we explored the activities of a collection of tetrahydroindoles that were reported to alter the metabolism of amyloid precursor protein (APP). In Drosophila larvae the compounds suppressed aberrant larval locomotion due to mutations in the Khc and Klc genes, which respectively encode the heavy and light chains of kinesin-1. A representative compound of this class also suppressed the appearance of axonal swellings (alternatively termed axonal spheroids or neuritic beads) in the segmental nerves of the kinesin-deficient Drosophila larvae. Given the importance of kinesin-dependent transport for extension and maintenance of axons and their growth cones, three members of the class were tested for neurotrophic effects on isolated rat spinal motor neurons. Each compound stimulated neurite outgrowth. In addition, consistent with SMA being an axonopathy of motor neurons, the three axonotrophic compounds rescued motor axon development in a zebrafish model of SMA. The results introduce a collection of small molecules as pharmacologic suppressors of SMA-associated phenotypes and nominate specific members of the collection for development as candidate SMA therapeutics. More generally, the results reinforce the perception of SMA as an axonopathy and suggest novel approaches to treating the disease.
Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions (2017)

A reaction design is reported in which a substrate-bound chiral Lewis acid complex absorbs visible light and generates an excited state that directly reacts with a cosubstrate in a highly stereocontrolled fashion. Specifically, a chiral rhodium complex catalyzes visible-light-activated intermolecular [2+2] cycloadditions, providing a wide range of cyclobutanes with up to >99% ee and up to >20:1 d.r. Noteworthy is the ability to create vicinal all-carbon-quaternary stereocenters including spiro centers in an intermolecular fashion.
Shape, size, and polymer dependent effects of microplastics on Daphnia magna (2021)

The effects of microplastic (MP) pollution on organisms are gaining increasing attention. To date, a variety of polymers of different shapes and sizes are used in ecotoxicology. Although polystyrene (PS) is the predominant polymer type used in effect studies, it is still unclear whether the observed effects derive from the polymer itself or from a certain particle shape and size. To elucidate whether the effects are polymer specific, we conducted a systematic study on Daphnia magna by comparing various PS-MPs to nonplastic control particles with similar properties. In chronic exposure experiments, we used PS beads (6 µm; 20 µm), fibers (Ø 3 µm, length: 75.5 µm), and fragments (5.7 µm; 17.7 µm) in two different size classes and two different concentrations (500 and 5000 particles ml<sup>-1</sup>) and in-house-produced control particles of comparable size, shape, concentration and, if possible, density. Although most PS properties did not elicit effects on the tested endpoints, we observed sublethal effects on D. magna life history and morphology for small PS beads and fragments. Interestingly, no adverse effects were detected for any of the control particles. Hence, the observed effects are polymer-specific, related to the size and shape of the polymer, and do not result from particle exposure per se.
UV–Visible and Plasmonic Nanospectroscopy of the CO2 Adsorption Energetics in a Microporous Polymer (2015)

In the context of carbon capture and storage (CCS), micro- and mesoporous polymers have received significant attention due to their ability to selectively adsorb and separate CO2 from gas streams. The performance of such materials is critically dependent on the isosteric heat of adsorption (Qst) of CO2 directly related to the interaction strength between CO2 and the adsorbent. Here, we show using the microporous polymer PIM-1 as a model system that its Qst can be conveniently determined by in situ UV-vis optical transmission spectroscopy directly applied on the adsorbent or, with higher resolution, by indirect nanoplasmonic sensing based on localized surface plasmon resonance in metal nanoparticles. Taken all together, this study provides a general blueprint for efficient optical screening of micro- and mesoporous polymeric materials for CCS in terms of their CO2 adsorption energetics and kinetics.
Macroscopic Origin of Circular Dichroism Effects by Alignment of Self‐Assembled Fibers in Solution (2007)

All lined up: Supramolecular assemblies are aligned by a convective flow in clear, nonviscous dilute solutions (see picture). The linear dichroism created by the alignment results in artifacts in circular dichroism measurements, the origins of which are explained.
Ex vivo Testung der antifibrotischen Wirksamkeit von Medikamenten auf die Idiopathische Lungenfibrose mittels Langzeitkultur von humanen Lungengewebs-Präzisionsschnitte (PCLS) (2023)

Einführung Die Kurzzeitkultur humaner Präzisionslungenschnitte (PCLS) ist seit langem zur Medikamententestung etabliert, stößt aber nach spätestens 5 Tagen in Bezug auf die Zellvitalität an ihre Grenzen. Zur Testung der Wirksamkeit von antifibrotischen Medikamenten bedarf es einer längeren Kulturdauer von Patientengewebe, um eine möglichst exakte Vorhersage der Modulation von Fibrosevorgängen im Patienten treffen zu können. In der folgenden Studie haben wir eine Methode zur Kultivierung von PCLS von IPF-Lungengewebe über einen Zeitraum von mehr als vier Wochen mit Erhalt der Vitalität entwickelt und diverse etablierte Medikamente getestet.
Theoretical study on 31P NMR chemical shifts of phosphorus-modified CHA zeolites (2019)

The 31P MAS NMR spectra of phosphorus-modified chabazite (P-CHA) zeolites have been observed during the hydrothermal treatment to probe the structural changes of phosphorus species in zeolites. Characteristic changes of the spectra were observed in the range of −27 ~ −42 ppm, which correlates to the hydrothermal structure changes in P-CHA zeolites. Theoretical calculations on the 31P and 27Al NMR chemical shifts have been systematically performed to disclose the possible phosphorus species of intra- and extra-framework and the structural changes during the hydrothermal treatment. The shift of the 31P resonances toward higher field were identified for condensed phosphates and aluminophosphates. Based on the calculated 31P NMR chemical shifts, the peak with increased intensity at −42 ppm in the initial stage of the hydrothermal treatment is mainly assigned to the formation of siliconoaluminophosphate (SAPO) species in the 6-membered ring of the zeolite framework, while the peak with increased intensity at −29 ppm in the later stage of treatment is ascribed to the accumulation of the extra-framework condensed phosphate or aluminophosphate species after the partial framework decomposition. The dominant peak at −33 ppm in all 31P NMR spectra is assigned to the phosphates in the framework.
Magnetic-free electrical circulator based on AlN MEMS filters and CMOS RF switches (2018)

This work reports the demonstration of a novel magnetic-free electrical circulator topology that facilitates the development of in-band full duplexers (IBFD) for simultaneous transmit and receive (STAR) RF applications. It uses CMOS-integrable components such as AlN MEMS filters (first-order in this work at 1.2 GHz) and CMOS RF switches, hence showing a compact approach that can be used in handheld devices. The linear time-invariant (LTI) AlN MEMS filter networks are parametrically modulated via a switching matrix to break its reciprocity. The modulation frequency and duty cycle were optimized so that the circulator can provide up to 15 dB of isolation over the filter bandwidth (2.2 MHz). The proposed prototype is a very compact solution for the implementation of magnetic-free circulators, which also intrinsically offers low noise and high linearity.
High density lipoprotein3 binding sites are related to DNA biosynthesis in the adenocarcinoma cell line A549 (1993)

The effect of high density (apoE-depleted HDL3) on cell growth of a human tumor cell line (A549) was studied and related to its binding on the plasma membrane. HDL3 were shown to stimulate the incorporation of [3H]thymidine into DNA and cell proliferation; these effects were dose-dependent. As HDL3, apoA-I and apoA-I-liposomes complexes (but not apoA-II) were able to stimulate DNA synthesis in serum-free conditions. This effect was maximum for 15-30 micrograms HDL3 protein/ml concentration. Binding of HDL3 on whole cells occurred by two mechanisms: the first was specific for HDL3; the second, of lower affinity, was phospholipid-dependent and was inhibited by low density lipoprotein or by phospholipid particles. Internalization and degradation of bound HDL3 were not observed. The specific sites (27.9 +/- 2.2 ng HDL3 protein/ng cell protein) accounted for only 2.5% of total (specific+phospholipid) binding sites and they bound HDL3 with a dissociation constant (KD) of 2.47 +/- 0.46 microgram HDL3 protein/ml (2.6 +/- 0.5 x 10(-8) M). The apparent KD value of total binding sites (specific+phospholipid) was eightfold higher (20.4 +/- 6.1 micrograms HDL3 protein/ml). Analysis of the membrane specific binding sites by ligand blotting with 125I-labeled HDL3 showed a single protein with an apparent molecular mass of 110 kDa. When HDL3 binding on phospholipid sites was inhibited by rigid phospholipid particles, the stimulation of [3H]thymidine incorporation related to HDL3 concentration did not show a maximum peak as previously observed but reached a plateau at a concentration as low as 5 micrograms HDL3 protein/ml. This low concentration also nearly saturated the specific binding sites with HDL3. When binding on specific protein sites was suppressed by tetranitromethane, DNA synthesis was not stimulated but, in contrast, inhibited. The stimulating effect of HDL3 on DNA biosynthesis is therefore likely dependent on HDL3 occupying specific binding sites.
Design of an applicator for microwave-assisted bituminous surface thermal bonding (2015)

In this paper a design cycle of an applicator for microwave-assisted bituminous surface thermal bonding is presented. The applicator is equipped with a waveguide nozzle and a hexagonal lattice of cylindrical metallic chokes preventing microwave leakage. The design is performed with the aid of electromagnetic simulations, based on a finite-difference time-domain method. Simulation results are initially validated with experiments and a good agreement is achieved.
Mediating heterogeneous Web services (2003)

Web services technology provides the foundation for a new business opportunity, i.e., the possibility of providing value-added Web services. However, building value-added services in this new environment is not a trivial task. Due to many singularities of the Web service environment, such as the inherent structural and behavioral heterogeneity of Web services, in addition to their strict autonomy, it is not possible to rely on current models and solutions to build and coordinate compositions of Web services. We present a mediation service layer within an architecture, named WebTransact, which provides the necessary mechanisms for homogenizing heterogeneous Web services. Such architecture separates the task of aggregating and homogenizing heterogeneous Web services from the task of specifying transaction interaction patterns, thus providing a new general mechanism to deal with the complexity introduced by a large number of Web services.