gebhart/patrepeval huggingface dataset:
The effect of lattice vibrations on substitutional alloy thermodynamics (2002)

A long-standing limitation of first-principles calculations of substitutional alloy phase diagrams is the difficulty in accounting for lattice vibrations. A survey of the theoretical and experimental literature seeking to quantify the effect of lattice vibrations on phase stability indicates that they can be significant. Typical vibrational entropy differences between phases are of the order of 0.1 to ${0.2k}_{B}/\mathrm{atom},$ which is comparable to the typical values of configurational entropy differences in binary alloys (at most ${0.693k}_{B}/\mathrm{atom}).$ This article presents the basic formalism underlying ab initio phase diagram calculations, along with the generalization required to account for lattice vibrations. The authors review the various techniques allowing the theoretical calculation and the experimental determination of phonon dispersion curves and related thermodynamic quantities, such as vibrational entropy or free energy. A clear picture of the origin of vibrational entropy differences between phases in an alloy system is presented that goes beyond the traditional bond counting and volume change arguments. Vibrational entropy change can be attributed to the changes in chemical bond stiffness associated with the changes in bond length that take place during a phase transformation. This so-called ``bond stiffness vs bond length'' interpretation both summarizes the key phenomenon driving vibrational entropy changes and provides a practical tool to model them.
A hybrid model driven development framework for the multidimensional modeling of data warehouses! (2009)

Developing a multidimensional (MD) model of a data warehouse (DW) is a highly complex, prone to fail, and time consuming task, due to the fact that (i) the information needs of decision makers and the available operational data sources that will populate the DW must both be considered in a conceptual MD model, and (ii) complex mappings must be performed to obtain an implementation of this conceptual MD model. However, no significant effort has been made to take these issues into account in a systematic, well structured and comprehensive development process. To overcome the lack of such a process, a framework based on the Model Driven Architecture (MDA) is proposed for the development of a hybrid MD model at the conceptual level and for the automatic derivation of its logical representation. Also, a running example is shown throughout this paper.
The Mechanism of Action of Vitamin K (1995)

Vitamin K is the blood-clotting vitamin. The mechanism of action of vitamin K is discussed in terms of a new carbanion model that mimics the proton abstraction from the gamma position of protein-bound glutamate. This is the essential step leading to carboxylation and activation of the blood-clotting proteins. The model comprises an oxygenation that is coupled to carbon-carbon bond formation, as is the oxygenation of vitamin K hydroquinone to vitamin K oxide. The model hypothesis is also supported by the mechanism of inhibition of the carboxylase by HCN, which acts as an acid-base inhibitor rather than a metal-complexing inhibitor. The new model postulates a dioxetane intermediate that explains the presence of a second atom of 18O (from 18O2) incorporated into vitamin K oxide in the course of the enzymatic carboxylation. Finally, the chemistry developed here has been used to define the active site of vitamin K hydroquinone as the carbon-carbon bond adjacent to the methyl group.
Generalized chopper stabilization (2002)

The concept of traditional chopper-stabilized amplifiers is extended to linear dynamical and certain types of nonlinear circuits. Simulation results are given to confirm the theory.
A new solid polymer solution (SPS) binder for powder injection moulding (PIM) (1992)

The study of interactions between binder system components is critical for improving the processing properties of powder injection moulding (PIM) feedstocks. In this paper the interactions between acrawax (AW) and polyethylene glycol (PEG) were analysed and compared with those obtained for carnauba wax (CW). Due to the complexity of interaction mechanisms, the polymers were substituted with their basic low molecular weight analogues and analysed by FTIR and calorimetry. Self-interaction energies and association energies were determined using calorimetric analysis. Shifts of FTIR absorption peaks (C–O stretch and N–H stretch) served as evidence of the presence of interactions between the components. The calorimetric study of AW/PEG analogues showed a temperature increase during mixing, indicating the presence of strong interactions. The combined data from FTIR and calorimetry allowed a quantitative evaluation, which indicated about two times stronger interactions between AW (with CO and N–H groups) and PEG (with C–O and –OH groups), as compared to CW (with CO and C–O groups) and PEG analogues.
Interface Engineering for Solid‐State Dye‐Sensitized Nanocrystalline Solar Cells: The Use of Ion‐Solvating Hole‐Transporting Polymers (2004)

Abstract The control of interfacial charge transfer is central to the design of photovoltaic devices. This charge transfer is strongly dependent upon the local chemical environment at each interface. In this paper we report a methodology for the fabrication of a novel nanostructured multicomponent film, employing a dual‐function supramolecular organic semiconductor to allow molecular‐level control of the local chemical composition at a nanostructured inorganic/organic semiconductor heterojunction. The multicomponent film comprises a lithium ion doped dual‐functional hole‐transporting material (Li + –DFHTM), sandwiched between a dye‐sensitized nanocrystalline TiO 2 film and a mono‐functional organic hole‐transporting material (MFHTM). The DFHTM consists of a conjugated organic semiconductor with ion supporting side chains, designed to allow both electronic and ionic charge transport properties. The Li + –DFHTM layers provide a new and versatile way to control the interface electrostatics, and consequently the charge transfer, at a nanostructured dye‐sensitized inorganic/organic semiconductor heterojunction.
Association of late-onset Alzheimer's disease with genetic variation in multiple members of the <i>GAPD</i> gene family (2004)

Although several genes have been implicated in the development of the early-onset autosomal dominant form of Alzheimer's disease (AD), the genetics of late-onset AD (LOAD) is complex. Loci on several chromosomes have been linked to the disease, but so far only the apolipoprotein E gene has been consistently shown to be a risk factor. We have performed a large-scale single-nucleotide polymorphism (SNP)-based association study, across the region of linkage on chromosome 12, in multiple case-control series totaling 1,089 LOAD patients and 1,196 control subjects and report association with SNPs in the glyceraldehyde-3-phosphate dehydrogenase (GAPD) gene. Subsequent analysis of GAPD paralogs on other chromosomes demonstrated association with two other paralogs. A significant association between LOAD and a compound genotype of the three GAPD genes was observed in all three sample sets. Individually, these SNPs make differential contributions to disease risk in each of the casecontrol series, suggesting that variants in functionally similar genes may account for series-to-series heterogeneity of disease risk. Our observations raise the possibility that GAPD genes are AD risk factors, a hypothesis that is consistent with the role of GAPD in neuronal apoptosis.
DELTA: Delta encoding for less traffic for apps (2012)

The number of applications (or apps) in the Android Market exceeded 450,000 in 2012 with more than 11 billion total downloads. The necessity to fix bugs and add new features leads to frequent app updates. For each update, a full new version of the app is downloaded to the user's smart phone; this generates significant traffic in the network. We propose to use delta encoding algorithms and to download only the difference between two versions of an app. We implement delta encoding for Android using the bsdiff and bspatch tools and evaluate its performance. We show that app update traffic can be reduced by about 50%, this can lead to significant cost and energy savings.
On robust linear prediction of speech (1988)

A robust linear prediction (LP) algorithms is proposed that minimizes the sum of appropriately weighted residuals. The weight is a function of the prediction residual, and the cost function is selected to give more weight to the bulk of small residuals while deemphasizing the small portion of large residuals. In contrast, the conventional LP procedure weights all prediction residuals equally. The robust algorithm takes into account the non-Gaussian nature of the excitations for voiced speech and gives a more efficient (less variance) and less biased estimate for the prediction coefficients than conventional methods. The algorithm can be used in the front-end features extractor for a speech recognition system and as an analyzer for a speech coding system. Testing on synthetic vowel data demonstrates that the robust LP procedure is able to reduce the formant and bandwidth error rate by more than an order of magnitude compared to the conventional LP procedures and is relatively insensitive to the placement of the LPC (LP coding) analysis window and to the value of the pitch period, for a given section of speech signal.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Novel models for bacterial colonization and infection of full‐thickness wounds in rats (2012)

An animal model is needed to study the pathophysiology of wound infections; however, an animal model that is reproducible and clinically relevant has not previously been available. In addition, an animal model of wound colonization generated in a manner similar to the wound infection model would be useful. Here, we describe new animal models of the wound infection continuum for the characterization of essential host-pathogen relationships. We determined the conditions needed to establish rat models of stable wound colonization and infection, without the use of disturbing factors (e.g., foreign bodies or induction of diabetes mellitus). We found that the age of the rats, bacterial inoculum size, and wound location were important elements in generating reproducible, obvious, spreading wound infections. We inoculated approximately 6-month-old rats with 2.06 × 10(9) or 4.12 × 10(9) colony-forming units of Pseudomonas aeruginosa to generate the wound colonization and wound infection models, respectively. Wounds were made 2 cm cranial to the greater trochanter. These clinically relevant and highly reproducible animal models can be used to investigate the mechanisms of wound infection and monitor the effect of therapeutic agents in vivo.
Update on the SAFEstart Clinical Trials (2009)

Certain growth factors exist in relatively high concentrations in fluids swallowed by the fetus and neonate; namely amniotic fluid, colostrum, and human milk. We postulated that; 1) after these factors are swallowed they are not enterally digested into non-functional units, but remain biologically active, 2) the ingested factors bind to specific receptors on the luminal surface of villous enterocytes where they exert a topical antiapoptotic effect, 3) the ingested factors are not absorbed into the blood and have no systemic effect, 4) when a fetus is delivered prematurely and amniotic fluid swallowing abruptly ceases, if the patient is NPO (thus receiving no growth factors from colostrum or milk) disuse atrophy of the small bowel mucosa can begin, leading to feeing intolerance once milk feedings are started. We developed a sterile, isotonic, growth factor-containing solution, simulating second trimester amniotic fluid. We called the fluid SAFEstart® (an acronym for Simulated, Amniotic Fluid for Enteral administration); a patent was obtained by the University of Florida. The growth factors contained in SAFEstart were concentrated 10 fold above natural amniotic fluid, so that 20 mL/k/d of SAFEstart would provide the amount of growth factors ingested by a fetus swallowing 200 mL/k/d of amniotic fluid. Preclinical studies on stability and digestion were followed by six clinical trials. Whether mixed with human milk, preterm infant formulas, or kept by itself, SAFEstart was stable for at least three weeks frozen, with only minimal and gradual degradation of activity in the weeks thereafter. No evidence of absorption of factors into the blood and no systemic effects were observed after usage. Four clinical trials have examined its use to prevent feeding intolerance and two additional trials have examined its treatment use among neonates with established feeding intolerance. CONCLUSIONS: One hundred-twenty neonates have now participated in six SAFEstart trials. It is feasible to administer 20 mL/k/d of SAFEstart (2.5 mL/k every 3 h) to ill preterm neonates, and it is well tolerated, with no safety issues uncovered to date. Early controlled studies suggest efficacy in preventing feeding intolerance and also in treating established feeding intolerance, presumably by topical actions of relevant growth factors on the small bowel mucosa. Multicentered randomized, placebo controlled trials are now needed to estimate the risks and benefits of administering SAFEstart to neonates who are otherwise NPO.
Excessive Toxicity When Treating Central Tumors in a Phase II Study of Stereotactic Body Radiation Therapy for Medically Inoperable Early-Stage Lung Cancer (2006)

High rates of local control are achieved with this SBRT regimen in medically inoperable patients with stage I NSCLC. Both local recurrence and toxicity occur late after this treatment. This regimen should not be used for patients with tumors near the central airways due to excessive toxicity.
Abstract 1333: Isolation, characterization and expansion of circulating tumor cells in solid cancers (2019)

Abstract Metastasis in cancer patients is reflected by measurable levels of circulating tumor cells (CTCs) in the blood of cancer patients. CTCs represent cancer cells from the primary and metastatic sites, thereby providing a comprehensive representation of the tumor burden of an individual patient. Recent advancements have shown that PD-1/PD-L1 immune checkpoint therapies have durable responses in a number of solid tumor types. Our study was designed to use multiple CTC enrichment platforms for the capture of CTCs and novel culture formulations for the ex vivo expansion of CTCs. Head and Neck cancer (n=300) and lung cancer (n=80) patients were recruited to investigate the prognostic role of CTCs. We evaluated multiple CTC isolation technologies (CellSearch, filtration, CD45 depletion, inertial microfluidics) using matched patient samples which showed that epitope-independent CTC isolation captured a greater proportion of CTCs. Molecular alterations present in the primary tissue were confirmed in the CTCs by 3D-DNA FISH (EGFR-amplification, ALK-translocations). In HNC, the presence of CTC clusters associated with the development of distant metastatic disease (P=0.0313). HNC CTC-positive patients had shorter progression free survival (PFS) (Hazard ratio [HR]: 4.946; 95% confidence internal [CI]:1.571-15.57; P=0.0063) and PD-L1-positive CTCs were found to be significantly associated with worse outcome ([HR]:5.159; 95% [CI]:1.011-26.33; P=0.0485). In a proof of principle study, we were able to demonstrate for the first time, short-term patient derived CTC cultures outside the patient’s body from 7/18 HNC samples (4/7 HPV-positive). Recently, we have preliminary data that suggests that PD-L1 is frequently expressed on CTCs in HNC and lung cancer and an immunoscore may be able to identify patients likely to benefit from immunotherapy-a current unmet clinical need. Expanding CTCs outside the patient’s body allows for the recapitulation of the molecular diversity present within the tumor, understanding of the disease progression and testing of therapies. Citation Format: Arutha Kulasinghe, Joanna Kapeleris, Liz Kenny, Majid Warkiani, Ian Vela, Jean-Paul Thiery, Ken O'Byrne, Chamindie Punyadeera. Isolation, characterization and expansion of circulating tumor cells in solid cancers [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2019; 2019 Mar 29-Apr 3; Atlanta, GA. Philadelphia (PA): AACR; Cancer Res 2019;79(13 Suppl):Abstract nr 1333.
Optimal constrained viscoelastic tape lengths for maximizing dampingin laminated composites (1991)

The results of experimental investigations conducted on glass/epoxy and graphite/epoxy composite laminated beams with constrained layer surface-damping treatments are reported. A fast Fourier transform based impulse technique is used for identifying an optimal length of damping tape to be applied for maximizing the structural loss factor.
Algorithm of automatic cartridge identification (2001)

An effective algorithm for automatic cartridge identification is proposed. The ejector impression is used to calibrate the cartridge image. Features of the firing pin impression and the breach face impression are extracted using active snake and orientation analysis, respectively. These different features are then integrated to make a final decision by using a support vector machine. Experimental results illustrate the effectiveness of our algorithm.
An Investigation of the Cause of Leak Formation in Palladium Composite Membranes. (2006)

In this research it was shown that the electroless plated palladium deposited as large number of randomly oriented grains, which were separated by grain boundaries (GB). The nano-scale dimensions of these grain boundaries allowed the diffusion of helium through the palladium membrane. This implied that in a dense palladium membrane, the grain boundary network was so convoluted that helium flux could be neglected. The transmission electron microscope (TEM) images of the palladium at room temperature showed grains of about 50 nm in size and nuclei of about 5 nm in size. The TEM images of a pre-annealed Pd sample at 500ºC in hydrogen atmosphere for 48 hours, showed big grains of 100 to 200 nm in size and most of the grain boundary intersections had dihedral angles very close to 120°. However, the pre-annealed Pd sample at 500ºC in helium atmosphere for 48 hours, showed grains of the size of 70 to 100 nm and many of the grain boundary intersections did not show dihedral angles of 120°. This proved that high temperature annealing not only caused significant grain growth and grain boundary (straightening) migration, but also the grain boundary migration was faster in hydrogen than in helium atmosphere. Also, the hydrogen and helium characterization of the palladium membranes showed that the leak formed faster in hydrogen than in helium. Thus, combining the TEM observations with the membrane characterization results, it is possible to conclude that grain boundary migration is one of the most probable reasons for leak formation in palladium composite membranes. The TEM images of the pre-annealed Pd sample also showed that the grain boundaries can achieve an equilibrium configuration within 48 hours of annealing at 500°C in hydrogen. This research helped in better understanding of the role of grain boundary migration on the leak formation in the composite palladium membranes and this information can be useful for the production of leak resistant stable membranes in the future.
To Act or Not to Act: Will New York's Defeated Death Penalty Be Resurrected? (2008)

Capital punishment has always been a topic of controversy in the United States. The debate about the death penalty, its value as a way to permanently incapacitate society's most dangerous criminals and its effectiveness as a deterrent to violent crime, has increased. This phenomenon is particularly visible in New York State, where, in 2004, the New York Court of Appeals struck down the State's death penalty statute as invalid under the New York Constitution. This Note describes the evolution of New York's 1995 death penalty statute, analyzing the way in which the state legislature could respond to the statute's unconstitutionality, and recommends that the legislature end the current debate over the future of capital punishment in New York by abolishing the death penalty. Part I describes the evolution of death penalty legislation at the federal level and within New York State. Part I further discusses the legislative reaction to the statute's invalidation and describes the current debate in New York about the continued desirability of capital punishment. Part II presents the legislative alternatives of either amending or abolishing New York's death penalty statute and discusses the arguments for and against each option. Finally, Part III argues that despite the challenges involved in either amending and reinstating the death penalty or abolishing it, the legislature should not allow the statute simply to remain inoperable by fault. This note concludes that given the need for action, the State Legislature should move to abolish the death penalty in New York.
Effect of Unilateral Vagus Blockade on Antigen-Induced Airway Obstruction (1976)

Respiratory hyper sensitivity and the effect of unilateral vagus blockade on the same, after the use of Ascaris extract aerosol, are studied in three boxer dogs with spontaneous reactivity to this aerosol. The dogs were exposed initially to Ascaris extract aerosol, and this exposure was repeated after unilateral vagus blockade and after its lavage. The principal parameters, ΔPoes (mm Hg)/100ml TV, are given as a measurement of airway flow resistance and respiratory rates. The spontaneous respiratory distress observed in all the animals after exposure to the mentioned aerosol was avoided with unilateral blockade of the nervus vagus.
A Comprehensive Performance Evaluation of Deformable Face Tracking “In-the-Wild” (2017)

Recently, technologies such as face detection, facial landmark localisation and face recognition and verification have matured enough to provide effective and efficient solutions for imagery captured under arbitrary conditions (referred to as "in-the-wild"). This is partially attributed to the fact that comprehensive "in-the-wild" benchmarks have been developed for face detection, landmark localisation and recognition/verification. A very important technology that has not been thoroughly evaluated yet is deformable face tracking "in-the-wild". Until now, the performance has mainly been assessed qualitatively by visually assessing the result of a deformable face tracking technology on short videos. In this paper, we perform the first, to the best of our knowledge, thorough evaluation of state-of-the-art deformable face tracking pipelines using the recently introduced 300 VW benchmark. We evaluate many different architectures focusing mainly on the task of on-line deformable face tracking. In particular, we compare the following general strategies: (a) generic face detection plus generic facial landmark localisation, (b) generic model free tracking plus generic facial landmark localisation, as well as (c) hybrid approaches using state-of-the-art face detection, model free tracking and facial landmark localisation technologies. Our evaluation reveals future avenues for further research on the topic.