gebhart/patrepeval huggingface dataset:
Transmission Coefficients for Chemical Reactions with Multiple States: Role of Quantum Decoherence (2011)

Transition-state theory (TST) is a widely accepted paradigm for rationalizing the kinetics of chemical reactions involving one potential energy surface (PES). Multiple PES reaction rate constants can also be estimated within semiclassical approaches provided the hopping probability between the quantum states is taken into account when determining the transmission coefficient. In the Marcus theory of electron transfer, this hopping probability was historically calculated with models such as Landau-Zener theory. Although the hopping probability is intimately related to the question of the transition from the fully quantum to the semiclassical description, this issue is not adequately handled in physicochemical models commonly in use. In particular, quantum nuclear effects such as decoherence or dephasing are not present in the rate constant expressions. Retaining the convenient semiclassical picture, we include these effects through the introduction of a phenomenological quantum decoherence function. A simple modification to the usual TST rate constant expression is proposed: in addition to the electronic coupling, a characteristic decoherence time τ(dec) now also appears as a key parameter of the rate constant. This new parameter captures the idea that molecular systems, although intrinsically obeying quantum mechanical laws, behave semiclassically after a finite but nonzero amount of time (τ(dec)). This new degree of freedom allows a fresh look at the underlying physics of chemical reactions involving more than one quantum state. The ability of the proposed formula to describe the main physical lines of the phenomenon is confirmed by comparison with results obtained from density functional theory molecular dynamics simulations for a triplet to singlet transition within a copper dioxygen adduct relevant to the question of dioxygen activation by copper monooxygenases.
Neuroprotective effect of lysophosphatidic acid on AbetaP31-35-induced apoptosis in cultured cortical neurons. (2005)

It has been reported that lysophosphatidic acid (LPA) at its lower concentrations prevents apoptosis induced by serum-deprivation in cultured cortical neurons when LPA is added into the cultural medium with serum withdrawal. The present study was designed to investigate whether LPA could also block the apoptosis induced by beta-amyloid peptide fragment 31-35 (AbetaP31-35) in cultured cortical neurons by using techniques of DNA fragmentation electrophoresis, HO33342 staining, and TUNEL examinations. The results showed that pretreatment of LPA suppressed the AbetaP31-35-induced apoptosis only when LPA was applied to the cultured neurons with lower concentrations (1-10 micromol/L) and especially, with a preceding time of 12-24 h before the AbetaP31-35 exposure. These facts imply that LPA also acts as a neuroprotective factor against AbetaP31-35-induced apoptosis, though the mechanism underlying the protective action in this case may be more complex than that involved in the serum deprivation-induced apoptosis.
When and what to buy: a nested logit model of coffee purchase (1998)

On a shopping trip to a supermarket a customer may purchase a product in a given category and, if so, buys a particular brand. Guadagni and Little (1983) model the brand choice part of this process. A multinomial logit model describes the selection of brand and size given that the customer makes a category purchase. Explanatory variables include store actions, such as price and promotion, and customer characteristics, such as brand and size loyalty. The present paper extends the formulation to include the decision to make a purchase in the category on a shopping trip. This additional step not only provides a more complete description of the buying process but also makes possible a better calculation of sales response by including the effect of marketing actions on category sales as well as brand share. The methodology employed is a generalization of the multinomial logit, the nested logit. The shopper's decision includes two components, the selection of the category and the choice of the brand-size combination. The model of brand-size choice is essentially that of Guadagni and Little (1983). The category choice introduces further variables including household inventory, category price, and the attractiveness of purchasing a product now as opposed to later. Calibration of the nested logit is done by sequential estimation. The model, applied to regular ground coffee data collected from a scanner panel, tracks sales well in a hold-out sample, both at the aggregate and individual levels. Use of the model to calculate short term market response to store promotion demonstrates the increase in sales due to category expansion as well as share gain. © 1998 John Wiley & Sons, Ltd.
Dose Dependency of Captopril Effects in Severely Hypertensive Patients (1981)

In a double-blind randomized study, the dose response to captopril was studied in 12 severely hypertensive patients whose blood pressure had been previously controlled by this converting enzyme inhibitor, either in association with a diuretic (seven patients), or with a diuretic and a beta-blocker (five patients). All patients received in random sequence 32.5, 75, and 150 mg/day of captopril in three divided doses. Significant correlations were revealed between the dose administered and the levels of arterial blood pressure, plasma renin, plasma aldosterone and plasma potassium. Under the conditions of this study, dose-response curves were obtained for concentrations of captopril between 0.5 and 4 mg/day/kg body weight.
Gonadotropin-Releasing Hormone Analog Structural Determinants of Selectivity for Inhibition of Cell Growth: Support for the Concept of Ligand-Induced Selective Signaling (2008)

GnRH and its receptor are expressed in human reproductive tract cancers, and direct antiproliferative effects of GnRH analogs have been demonstrated in cancer cell lines. The intracellular signaling responsible for this effect differs from that mediating pituitary gonadotropin secretion. The GnRH structure-activity relationship is different for the two effects. Here we report a structure-activity relationship study of GnRH agonist antiproliferative action in model cell systems of rat and human GnRH receptors stably expressed in HEK293 cells. GnRH II was more potent than GnRH I in inhibiting cell growth in the cell lines. In contrast, GnRH I was more potent than GnRH II in stimulating inositol phosphate production, the signaling pathway in gonadotropes. The different residues in GnRH II (His(5), Trp(7), Tyr(8)) were introduced singly or in pairs into GnRH I. Tyr(5) replacement by His(5) produced the highest increase in the antiproliferative potency of GnRH I. Tyr(8) substitution of Arg(8) produced the most selective analog, with very poor inositol phosphate generation but high antiproliferative potency. In nude mice bearing tumors of the HEK293 cell line, GnRH II and an antagonist administration was ineffective in inhibiting tumor growth, but D-amino acid stabilized analogs (D-Lys(6) and D-Arg(6)) ablated tumor growth. Docking of GnRH I and GnRH II to the human GnRH receptor molecular model revealed that Arg(8) of GnRH I makes contact with Asp(302), whereas Tyr(8) of GnRH II appears to make different contacts, suggesting these residues stabilize different receptor conformations mediating differential intracellular signaling and effects on gonadotropin and cell growth. These findings provide the basis for the development of selective GnRH analog cancer therapeutics that directly target tumor cells or inhibit pituitary gonadotropins or do both.
Human Insulin Analog–Induced Lipoatrophy (2008)

Tryptase-positive/chymase-postitive mast cells, known to be sensitive to sodium cromolyn, may contribute to the destructive immune process mediated in response to exogenous insulin. Mast cell stabilizing therapy with topical cromolyn may reverse early and prevent new lipoatrophic lesions.
Power Efficient Gigabit Communication Over Capacitively Driven RC-Limited On-Chip Interconnects (2010)

This paper presents a set of circuit techniques to achieve high data rate point-to-point communication over long on-chip RC-limited wire-pairs. The ideal line termination impedances for a flat transfer function with linear phase (pure delay) are derived, using an s-parameter wire-pair model. It is shown that a driver with series capacitance on the one hand and a resistive load on the other, are fair approximations of these ideal terminations in the frequency range of interest. From a perspective of power efficiency, a capacitive driver is preferred, as the series capacitance reduces the voltage swing along the line which reduces dynamic power consumption. To reduce cross-talk and maintain data integrity, parallel differential interconnects with alternatingly one or two twists are used. In combination with a low offset dynamic sense amplifier at the receiver, and a low-power decision feedback equalization technique with analog feedback, gigabit communication is demonstrated at very low power consumption. A point-to-point link on a 90 nm CMOS test chip achieves 2 Gb/s over 10 mm long interconnects, while consuming 0.28 pJ/bit corresponding to 28 fJ/bit/mm, which is much lower than competing designs.
Pymble (1970)

Pymble is a suburb of Ku-ring-gai, the traditional land of the Guringgai (also spelt Guringai) tribe. It is located 16 kilometres north of central Sydney between the suburbs of Gordon and Turramurra and is bounded by Pentecost Avenue, part of Rosedale Road, a section of Mona Vale Road, Blackbutt Creek, a section of Lane Cove National Park, Avondale Golf Course and Sheldon Forest. The Pacific Highway runs across it and intersects the railway line at Grandview Street. It has an area of 651 hectares.
Nanotomy-based production of transferable and dispersible graphene nanostructures of controlled shape and size (2012)

Because of the edge states and quantum confinement, the shape and size of graphene nanostructures dictate their electrical, optical, magnetic and chemical properties. The current synthesis methods for graphene nanostructures do not produce large quantities of graphene nanostructures that are easily transferable to different substrates/solvents, do not produce graphene nanostructures of different and controlled shapes, or do not allow control of GN dimensions over a wide range (up to 100 nm). Here we report the production of graphene nanostructures with predetermined shapes (square, rectangle, triangle and ribbon) and controlled dimensions. This is achieved by diamond-edge-induced nanotomy (nanoscale-cutting) of graphite into graphite nanoblocks, which are then exfoliated. Our results show that the edges of the produced graphene nanostructures are straight and relatively smooth with an I(D)/I(G) of 0.22-0.28 and roughness <1 nm. Further, thin films of GN-ribbons exhibit a bandgap evolution with width reduction (0, 10 and ~35 meV for 50, 25 and 15 nm, respectively).
Ideal Three‐Dimensional Electrode Structures for Electrochemical Energy Storage (2013)

Three-dimensional electrodes offer great advantages, such as enhanced ion and electron transport, increased material loading per unit substrate area, and improved mechanical stability upon repeated charge-discharge. The origin of these advantages is discussed and the criteria for ideal 3D electrode structure are outlined. One of the common features of ideal 3D electrodes is the use of a 3D carbon- or metal-based porous framework as the structural backbone and current collector. The synthesis methods of these 3D frameworks and their composites with redox-active materials are summarized, including transition metal oxides and conducting polymers. The structural characteristics and electrochemical performances are also reviewed. Synthesis of composite 3D electrodes is divided into two types - template-assisted and template-free methods - depending on whether a pre-made template is required. The advantages and drawbacks of both strategies are discussed.
A 1/3-in 270000 pixel CCD image sensor (1991)

A 1/3-in interline transfer charge-coupled-device (CCD) image sensor with 270000 pixels has been developed. The effective sensing area of (4.8(H)*3.6(V)) mm/sup 2/ is adopted for the 1/3-in format. This sensor realizes 330 TV lines of color horizontal resolution. In addition, a new on-chip color filter is used, and a minimum object illuminance of 3 1x has been achieved. The electronic shutter was realized by developing the vertical-extraction method, with a wide range of shutter speed from 1/60 to 1/10000 s. Moreover, the use of an embedded photodiode makes it possible to achieve a low dark current. This feature, together with the 5-V drive, gives the sensor additional high performance, including low smear (0.01%).< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
An Intertemporal General Equilibrium Model of Asset Prices (1985)

This paper develops a continuous time general equilibrium model of a simple but complete economy and uses it to examine the behavior of asset prices. In this model, asset prices and their stochastic properties are determined endogenously. One principal result is a partial differential equation which asset prices must satisfy. The solution of this equation gives the equilibrium price of any asset in terms of the underlying real variables in the economy. IN THIS PAPER, we develop a general equilibrium asset pricing model for use in applied research. An important feature of the model is its integration of real and financial markets. Among other things, the model endogenously determines the stochastic process followed by the equilibrium price of any financial asset and shows how this process depends on the underlying real variables. The model is fully consistent with rational expectations and maximizing behavior on the part of all agents. Our framework is general enough to include many of the fundamental forces affecting asset markets, yet it is tractable enough to be specialized easily to produce specific testable results. Furthermore, the model can be extended in a number of straightforward ways. Consequently, it is well suited to a wide variety of applications. For example, in a companion paper, Cox, Ingersoll, and Ross [7], we use the model to develop a theory of the term structure of interest rates. Many studies have been concerned with various aspects of asset pricing under uncertainty. The most relevant to our work are the important papers on intertemporal asset pricing by Merton [19] and Lucas [16]. Working in a continuous time framework, Merton derives a relationship among the equilibrium expected rates of return on assets. He shows that when investment opportunities are changing randomly over time this relationship will include effects which have no analogue in a static one period model. Lucas considers an economy with homogeneous individuals and a single consumption good which is produced by a number of processes. The random output of these processes is exogenously determined and perishable. Assets are defined as claims to all or a part of the output of a process, and the equilibrium determines the asset prices. Our theory draws on some elements of both of these papers. Like Merton, we formulate our model in continuous time and make full use of the analytical tractability that this affords. The economic structure of our model is somewhat similar to that of Lucas. However, we include both endogenous production and
Fight Detection in Video Sequences Based on Multi-Stream Convolutional Neural Networks (2019)

Surveillance has been gradually correlating itself to forensic computer technologies. The use of machine learning techniques made possible the better interpretation of human actions, as well as faster identification of anomalous event outbursts. There are many studies regarding this field of expertise. The best results reported in the literature are from works related to deep learning approaches. Therefore, this study aimed to use a deep learning model based on a multi-stream and high level hand-crafted descriptors to be able to address the issue of fight detection in videos. In this work, we focused on the use of a multi-stream of VGG-16 networks and the investigation of conceivable feature descriptors of a video's spatial, temporal, rhythmic and depth information. We validated our method in two commonly used datasets, aimed at fight detection, throughout the literature. Experimentation has demonstrated that the association of correlated information with a multi-stream strategy increased the classification of our deep learning approach, hence, the use of complementary features can yield interesting outputs that are superior than other previous studies.
Novel Anti‐Markovnikov Regioselectivity in the Wacker Reaction of Styrenes (2005)

The Wacker reaction is one of the longest known palladium-catalysed organic transformations, and in the vast majority of cases proceeds with Markovnikov regioselectivity. Palladium(II)-mediated oxidation of styrenes was examined and in the absence of reoxidants was found to proceed in an anti-Markovnikov sense, giving aldehydes. Studies on the mechanism of this unusual transformation were carried out, and indicate the possible involvement of a eta(4)-palladium-styrene complex. With a heteropolyacid as the terminal oxidant, oxidation of styrene to give the anti-Markovnikov aldehyde as the major product was found to be catalytic.
PI3K/mTOR inhibition promotes the regression of experimental vascular malformations driven by PIK3CA-activating mutations (2018)

Somatic activating mutations within the PIK3CA gene have been recently detected in sporadic lymphatic and venous malformations, and in vascular malformations (VM) associated to overgrowth syndromes, such as CLOVES and Klippel-Trenaunay syndrome. Although VM are often limited to specific tissue areas and can be well treated, in extended or recurrent lesions novel therapeutic approaches are needed. We generated a mouse model of VM by local expression of PIK3CA-activating mutation in endothelial cells. PIK3CA-driven lesions are characterized by large areas of hemorrhage, hyperplastic vessels, infiltrates of inflammatory cells, and elevated endothelial cell density. Such vascular lesions are ameliorated by administration of dual PI3K/mTOR inhibitor, BEZ235, and mTOR inhibitor, Everolimus. Unexpectedly, the expression of PIK3CA-activating mutations in human endothelial cells results in both increased proliferation rates and senescence. Moreover, active forms of PIK3CA strongly promote the angiogenic sprouting. Treatment with PI3K/mTOR inhibitors restores normal endothelial cell proliferation rate and reduces the amount of senescent cells, whereas treatment with Akt inhibitor is less effective. Our findings reveal that PIK3CA mutations have a key role in the pathogenesis of VM and PIK3CA-driven experimental lesions can be effectively treated by PI3K/mTOR inhibitors.
Synthesis of deuterium‐labelled methylphenidate, p‐hydroxymethylphenidate, ritalinic acid and p‐hydroxyritalinic acid (1982)

Abstract The synthesis of threo ‐dl‐methylphenidate (Ritalin ® , 1 ), threo ‐dl‐p‐hydroxymethylphenidate ( 3 ), threo ‐dl‐ritalinic acid ( 2 ), and threo ‐dl‐p‐hydroxyritalinic acid ( 4 ) with deuterium incorporated in the piperidine ring is described. These compounds were synthesized for use as internal standards for mass fragmentographic assays of methylphenidate and its metabolites. The synthetic scheme described resulted in less than 0.05% 2 H 0 in the piperidine ring in any of the preparations.
The LGI1 gene involved in lateral temporal lobe epilepsy belongs to a new subfamily of leucine‐rich repeat proteins (2002)

Recently mutations in the LGI1 (leucine-rich, glioma-inactivated 1) gene have been found in human temporal lobe epilepsy. We have now identified three formerly unknown LGI-like genes. Hydropathy plots and pattern analysis showed that LGI genes encode proteins with large extra- and intracellular domains connected by a single transmembrane region. Sequence analysis demonstrated that LGI1, LGI2, LGI3, and LGI4 form a distinct subfamily when compared to other leucine-rich repeat-containing proteins. In silico mapping and radiation hybrid experiments assigned LGI2, LGI3, and LGI4 to different chromosomal regions (4p15.2, 8p21.3, 19q13.11), some of which have been implicated in epileptogenesis and/or tumorigenesis.
A pyramid approach to sub-pixel image fusion based on mutual information (2002)

We investigate aspects of multi-modal image registration based on a new criterion named mutual information (or sometimes Shannon information). This criterion is intensity-based and requires no landmarks; hence, its application can be automated without resorting to segmentation. We present a form amenable to derivation with respect to the geometric transformation parameters (affine transformation). This form involves Parzen windows; we explore the dependence of the registration accuracy on these windows and propose that they be tuned to each resolution level in a pyramid approach. We conduct experiments and show that both the window width and the number of windows is relevant. In addition, we show that it is beneficial to use a spline-based high-order interpolation scheme for applying the geometric transformation.
Synthesis and Antibacterial Activity of Some Novel 4-Benzyl-piperazinyl-s-triazine Derivatives (2013)

Considerable interest has been attracted in s-triazine scaffold and its derivatives because of their large variety of pharmacological activities. In this project, a series of 4-benzyl-piperazinyl-s-triazine derivatives 5a to 5j were synthesized by three steps substitution reaction of cyanuric chloride with various nucleophilic compounds in presence of a base. Molecular structures of the synthesized compounds were elucidated by FTIR, 1 H NMR, 13 C NMR, MS spectral data and elemental analyses. The in vivo antibacterial activity was evaluated by broth dilution method against representative four Gram-positive and four Gram-negative bacterial strains. Many compounds have displayed comparable better antibacterial activity against Bacillus subtilis, Staphylococcus aureus, Staphylococcus epidermis and Pseudomonas aeruginosa with reference to streptomycin.
Towards Survivable Sensor Networks Using Self-Regenerative Rejuvenation and Reconfiguration (2007)

The previous works in sensor networks security have focused on the aspect of confidentiality, authentication and integrity based on cryptographic primitives. There has been no prior work to assess the survivability in systematic way. In this paper, we propose a framework for enhancing the survivability of sensor networks using self-regenerative software rejuvenation and reconfiguration. We utilize self- regenerative capabilities for detecting misbehaving in node level and apply software rejuvenation and reconfiguration methodology or both in order to extend the availability of sensor networks. The security analysis shows the feasibility of our approach.