gebhart/patrepeval huggingface dataset:
Electronic structure of an ideal diamond-nickel (001) interface (1990)

The rapid improvement in diamond-film growth raises the possibility of constructing diamond-metal interfaces for electronic-device applications. We present calculations of the electronic structure of an idealized, lattice-matched (001) superlattice of diamond and nickel slabs, using both the linear augmented-plane-wave and linear combination of atomic orbitals methods. Eight (001) layers of C were found to be sufficient to allow the diamond valence-band edge to be well defined. For the interface atomic geometry which we have chosen, there is a large density of states at the interface within the bulk diamond band gap whose character is a nonbonding combination of adjacent C ${\mathit{p}}_{\mathit{x}}$,${\mathit{p}}_{\mathit{y}}$ and Ni ${\mathit{d}}_{\mathit{x}\mathit{z}}$,${\mathit{d}}_{\mathit{y}\mathit{z}}$ orbitals, where the interface lies in the x-y plane. The predicted Schottky-barrier height is vanishingly small. The interface electronic structure is analyzed and discussed in detail. Both the high density of interface states and the vanishing barrier height suggest that this geometry may not be optimal. A small or vanishing barrier height would, however, promote Ohmic contacts to p-type diamond.
Measurement of Third-Order Moduli of Silicon and Germanium (1964)

Experimental techniques for determining third-order moduli of single crystals by means of ultrasonic wave propagation are described. Results for silicon and germanium demonstrate a good degree of self-consistency among the basic experimental data obtained with both hydrostatic and uniaxial pressure. In units of 1012 dyn/cm2 and for 25°C, the third-order moduli are: ModulusValue for SiValue for GeC111−8.25±0.10−7.10±0.06C112−4.51±0.05−3.89±0.03C123−0.64±0.10−0.18±0.06C144+0.12±0.25−0.23±0.16C166−3.10±0.10−2.92±0.08C456−0.64±0.20−0.53±0.07Thermodynamic definitions for the moduli (K. Brugger, Phys. Rev. 133, A1611 (1964)] have been used.
RANGE: Gene Transfer of Reversibly Controlled Polycistronic Genes (2013)

We developed a single vector recombinant adeno-associated viral (rAAV) expression system for spatial and reversible control of polycistronic gene expression. Our approach (i) integrates the advantages of the tetracycline (Tet)-controlled transcriptional silencer tTS(Kid) and the self-cleaving 2A peptide bridge, (ii) combines essential regulatory components as an autoregulatory loop, (iii) simplifies the gene delivery scheme, and (iv) regulates multiple genes in a synchronized manner. Controlled by an upstream Tet-responsive element (TRE), both the ubiquitous chicken β-actin promoter (CAG) and the neuron-specific synapsin-1 promoter (Syn) could regulate expression of tTS(Kid) together with two 2A-linked reporter genes. Transduction in vitro exhibited maximally 50-fold regulation by doxycycline (Dox). Determined by gene delivery method as well as promoter, highly specific tissues were transduced in vivo. Bioluminescence imaging (BLI) visualized reversible "ON/OFF" gene switches over repeated "Doxy-Cycling" in living mice. Thus, the reversible rAAV-mediated N-cistronic gene expression system, termed RANGE, may serve as a versatile tool to achieve reversible polycistronic gene regulation for the study of gene function as well as gene therapy.Molecular Therapy - Nucleic Acids (2013) 2, e85; doi:10.1038/mtna.2013.15; published online 9 April 2013.
Depression in Patients with Mastocytosis: Prevalence, Features and Effects of Masitinib Therapy (2011)

Depression in patients with mastocytosis is often reported but its prevalence and characteristics are not precisely described. In addition, the impact of therapies targeting mast cells proliferation, differentiation and degranulation on psychic symptoms of depression have never been investigated. Our objective was to determine the prevalence and to describe features of depression in a large cohort of mastocytosis patients (n = 288) and to investigate the therapeutic impact of the protein kinase inhibitor masitinib in depression symptoms. The description of depression was based on the analysis of a database with Hamilton scores using Principal Component Analysis (PCA). Efficacy of masitinib therapy was evaluated using non parametric Wilcoxon test for paired data within a three months period (n = 35). Our results show that patients with indolent mastocytosis present an elevated prevalence of depression (64%). Depression was moderate in 56% but severe in 8% of cases. Core symptoms (such as psychic anxiety, depressed mood, work and interests) characterized depression in mastocytosis patients. Masitinib therapy was associated with significant improvement (67% of the cases) of overall depression, with 75% of recovery cases. Global Quality of Life slightly improved after masitinib therapy and did not predicted depression improvement. In conclusion, depression is very frequent in mastocytosis patients and masitinib therapy is associated with the reduction its psychic experiences. We conclude that depression in mastocytosis may originate from processes related to mast cells activation. Masitinib could therefore be a useful treatment for mastocytosis patients with depression and anxiety symptoms.
Insight into the Molecular Evolution of Two Tropinone Reductases (1999)

In tropane alkaloid biosynthesis, two tropinone reductases produce different stereoisomers from a common substrate, tropinone. The two enzymes share 64% of identical amino acids, and highly homologous proteins with variable substrate-binding residues have also been found in tropane alkaloid non-producing species. This exemplifies a simple evolutionary process that plants have taken to acquire a new secondary metabolic pathway.
Zinc‐Finger Proteins for Site‐Specific Protein Positioning on DNA‐Origami Structures (2012)

Point the finger: Zinc-finger proteins are convenient and site-selective adaptors for targeting specific locations within DNA-origami structures. Orthogonal targeting of the specific locations in the structures was demonstrated by using two adaptors, and the application of Escherichia coli lysate that contained the adaptor-fused proteins successfully afforded the expected protein–DNA assembly.
Motherese in Interaction: At the Cross-Road of Emotion and Cognition? (A Systematic Review) (2013)

Various aspects of motherese also known as infant-directed speech (IDS) have been studied for many years. As it is a widespread phenomenon, it is suspected to play some important roles in infant development. Therefore, our purpose was to provide an update of the evidence accumulated by reviewing all of the empirical or experimental studies that have been published since 1966 on IDS driving factors and impacts. Two databases were screened and 144 relevant studies were retained. General linguistic and prosodic characteristics of IDS were found in a variety of languages, and IDS was not restricted to mothers. IDS varied with factors associated with the caregiver (e.g., cultural, psychological and physiological) and the infant (e.g., reactivity and interactive feedback). IDS promoted infants' affect, attention and language learning. Cognitive aspects of IDS have been widely studied whereas affective ones still need to be developed. However, during interactions, the following two observations were notable: (1) IDS prosody reflects emotional charges and meets infants' preferences, and (2) mother-infant contingency and synchrony are crucial for IDS production and prolongation. Thus, IDS is part of an interactive loop that may play an important role in infants' cognitive and social development.
Biology of Normal Luteinizing Hormone-Releasing Hormone Neurons During and After Their Migration from Olfactory Placode (1992)

SINCE the initial report that LHRH-expressing neurons migrate during development from their birth place on the medial side of the olfactory placode into the brain (1), two sorts of questions have received additional experimentation and discussion. First, what light does this unusual migration into the developing brain shed on the nature of LHRH-expressing cells, and what are the implications for their normal roles in the adult brain? Second, what would be the implications of migration disturbances for human reproductive physiology, including Kallmann's and other syndromes (see companion paper by Dr. Crowley)? Accordingly, the purposes of this review are to reexamine some of the evidence concerning normal controls over LHRH neurons in light of what these cells are supposed to do in the adult brain; to review the burgeoning evidence that they actually originate in the olfactory pit and migrate into the developing forebrain; and to introduce the subject of Kallmann's syndrome (see companion paper by Dr. Crowley).
GEOTECHNICAL STRATEGY AND TACTICS AT ANGLO PLATINUM'S PPRUST OPEN PIT OPERATION, LIMPOPO PROVINCE, SOUTH AFRICA (2006)

Over the last four years Potgietersrust Platinums (PPRust) has successfully\nimplemented new geotechnical strategy and tactics to reduce risk, improving safety but\nalso maximising profitability. A large database of core logging, face mapping and rock\ntesting has been assembled and used in the slope design process. The data has also been\nused for optimising blast designs on a daily basis through the use of a geotechnical\nblock model. This greatly improves blast fragmentation and therefore loading and\nmilling efficiencies. Slope management includes a limit blasting programme, daily\nvisual inspections, and state-of-the-art slope monitoring equipment, namely\nGroundProbe radar, Riegl lasers and GeoMoS automated prism monitoring. Slope\noptimisation incorporates all the field data, operational controls, cost of failure, full\neconomic analysis of various slope angles and fault tree analysis. Savings on waste\nstripping of hundreds of millions of Rands were gained from the optimisation as slope\nangles could be increased due to improved geotechnical knowledge and management.\nPPRust’s geotechnical work is considered the benchmark for Anglo American open pit\noperations.
Empirical Parameters for Solvent Acidity, Basicity, Dipolarity, and Polarizability of the Ionic Liquids [BMIM][BF<sub>4</sub>] and [BMIM][PF<sub>6</sub>] (2015)

The empirical solvent scales for polarizability (SP), dipolarity (SdP), acidity (SA), and basicity (SB) have been successfully used to interpret the solvatochromism of compounds dissolved in organic solvents and their solvent mixtures. Providing that the published solvatochromic parameters for the ionic liquids 1-(1-butyl)-3-methylimidazolium tetrafluoroborate, [BMIM][BF4] and 1-(1-butyl)-3-methylimidazolium hexafluorophosphate, [BMIM][PF6], are excessively widespread, their SP, SdP, SA, and SB values are measured herein at temperatures from 293 to 353 K. Four key points are emphasized herein: (i) the origin of the solvatochromic solvent scales--the gas phase, that is the absence of any medium perturbation--; (ii) the separation of the polarizability and dipolarity effects; (iii) the simplification of the probing process in order to obtain the solvatochromic parameters; and (iv) the SP, SdP, SA, and SB solvent scales can probe the polarizability, dipolarity, acidity, and basicity of ionic liquids as well as of organic solvents and water-organic solvent mixtures. From the multiparameter approach using the four pure solvent scales one can draw the conclusion that (a) the solvent influence of [BMIM][BF4] parallels that of formamide at 293 K, both of them miscible with water; (b) [BMIM][PF6] shows a set of solvatochromic parameters similar to that of chloroacetonitrile, both of them water insoluble; and (c) that the corresponding solvent acidity and basicity of the ionic liquids can be explained to a great extent from the cation species by comparing the empirical parameters of [BMIM](+) with those of the solvent 1-methylimidazole. The insolubility of [BMIM][PF6] in water as compared to [BMIM][BF4] is tentatively connected to some extent to the larger molar volume of the anion [PF6](-), and to the difference in basicity of [PF6](-) and [BF4](-).
Biomimetic Graphene Surfaces with Superhydrophobicity and Iridescence (2012)

The wonderful world of graphene! A simple one-step fabrication of biomimetic graphene surfaces that possess both superhydrophobicity and bright structural color is presented. By using two-beam laser interference, construction of periodic grating microstructures and removal of hydrophilic oxygen groups were realized at the same time. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Predicted and actual end-of-treatment occlusion produced with aligner therapy (2014)

ABSTRACT Objective: To compare three-dimensional (3D) ClinCheck™ models with the subjects' actual 3D posttreatment models using the American Board of Orthodontics Objective Grading System (OGS). Materials and Methods: This prospective, within-subject study included 27 consecutive cases treated with aligner therapy. The posttreatment plaster models taken immediately after treatment were scanned and converted to stereolithography (STL) files; the ClinCheck models were also converted to STL format. MeshLab software was used to measure the seven components of the OGS, including alignment, marginal ridges, buccolingual inclinations, occlusal contacts, occlusal relationships, overjet and interproximal contacts. An overall OGS deduction score was also calculated. Results: Compared with the posttreatment models, the ClinCheck models showed significantly ( P = .016) fewer overall OGS point deductions (24 vs 15). These overall differences were due to significantly ( P < .05) more deductions among the posttreatment models than the ClinCheck models for alignment (4.0 vs 1.0 deductions), buccolingual inclinations (4.0 vs 3.0 deductions), occlusal contacts (3.0 vs 2.0 deductions), and occlusal relations (4.0 vs 2.0 deductions). Conclusion: The ClinCheck models do not accurately reflect the patients' final occlusion, as measured by the OGS, at the end of active treatment.
Hierarchical real-time scheduling of a semiconductor fabrication facility (2002)

A hierarchical framework for manufacturing system scheduling and planning and its experimental implementation in a semiconductor research laboratory are described. Its purpose is to aid the development of algorithms for real-time decision-making in a manufacturing enterprise in which such disruptive events as machine failures, material absences, expedited items, engineering changes, fluctuations of demand, and setups play a role. The hierarchy is divided into a set of levels that correspond to events that occur at very different frequencies. At each level, decisions are made in a way that satisfies the capacity constraints that are appropriate to that level and that meet objectives determined at higher levels. These decisions are either actions, such as the loading of a part of the initiation of a setup, or objectives to be issued to lower levels. The integration of the scheduler with the systemwide database, the structure of the scheduler as determined by the time constants and process flows in the system, and the use of the scheduler are described.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Vascular tissue engineering: biodegradable scaffold platforms to promote angiogenesis (2013)

The ability to understand and regulate human vasculature development and differentiation has the potential to benefit patients suffering from a variety of ailments, including cardiovascular disease, peripheral vascular disease, ischemia, and burn wounds. Current clinical treatments for vascular-related diseases commonly use the grafting from patients of autologous vessels, which are limited and often damaged due to disease. Considerable progress is being made through a tissue engineering strategy in the vascular field. Tissue engineering takes a multidisciplinary approach seeking to repair, improve, or replace biological tissue function in a controlled and predictable manner. To address the clinical need to perfuse and repair damaged, ischemic tissue, one approach of vascular engineering aims to understand and promote the growth and differentiation of vascular networks. Vascular tissue engineered constructs enable the close study of vascular network assembly and vessel interactions with the surrounding microenvironment. Scaffold platforms provide a method to control network development through the biophysical regulation of different scaffold properties, such as composition, mechanics, dimensionality, and so forth. Following a short description of vascular physiology and blood vessel biomechanics, the key principles in vascular tissue engineering are discussed. This review focuses on various biodegradable scaffold platforms and demonstrates how they are being used to regulate, promote, and understand angiogenesis and vascular network formation.
Analysis of specular and textured SnO2:F films by high speed four-parameter Stokes vector spectroscopy (1999)

A rotating-compensator multichannel ellipsometer has been applied to measure the unnormalized Stokes vector that describes the polarization state of light reflected from specular and textured SnO2:F transparent conducting films on glass substrates. This four parameter spectroscopy yields the ellipsometric angles (ψ, Δ), the reflectance R, and the degree of polarization p, with a potential repetition time of 32 ms for all four 100 point spectra from 1.5 to 3.75 eV. The rotating-compensator design permits high accuracy evaluation of Δ over its full range (−180°&lt;Δ⩽180°), even in the presence of random depolarization. This allows accurate analyses of the microscopic structure and optical properties of the SnO2:F films, based on fits to (ψ, Δ) using an ideal (specular) multilayer model. Differences between the reflectance spectrum predicted from the ideal model and that from experiment can be understood by including light scattering at the film surface due to texture (i.e., macroscopic roughness on the scale of the wavelength) in the model. The macroscopic roughness layer distribution can be extracted based on fits to R. The information obtained optically from {(ψ, Δ), R} is corroborated by direct structural measurements. Finally, we find that the spectra in p for both the specular and textured SnO2:F films exhibit oscillations that are attributed to sample nonuniformities over the beam area, with possible contributions from other sources. The similarity of p for both samples, along with the consistency of the (ψ, Δ) analysis results for the textured SnO2:F film, suggest that the scattering generated by the texture does not distort the information accessible through the polarized component of the reflected beam.
Mutual Fund Advisory Contracts: An Empirical Investigation (2003)

We investigate marginal compensation rates in mutual fund advisory contracts and find the following. Equity and foreign fund advisors receive higher marginal compensation than debt and domestic fund advisors. Advisors of funds with greater turnover receive higher marginal compensation. Also, closed-end fund advisors receive higher marginal compensation than open-end fund advisors. Finally, we find that marginal compensation is lower for advisors of large funds and members of large fund families. We argue that these differences in marginal compensation reflect differences in advisor marginal product, differences in the difficulty of monitoring performance, differences in control environments, and scale economies.
Non-specific binding of antibodies in immunohistochemistry: Fakes and facts (2011)

Abstract Protocols for blocking non-specific antibody (Ab) binding in immunohistochemistry are based on rather contradictory and outdated reports. This prompted us to prove, whether non-specific Ab binding may really lead to unwanted background staining in routinely processed cell and tissue probes. In this study, the probes were fixed and processed according to routine protocols with and without a blocking step (goat serum or BSA). Surprisingly, all Ab in probes processed without a blocking step did not show any propensity towards non-specific binding that might lead to background staining, thus implying that endogenous Fc receptors do not retain their ability to bind Fc portion of Ab after standard fixation. Likewise in routinely fixed probes, we did not find any non-specific Ab binding ascribed to a combination of ionic and hydrophobic interactions. The traditionally used protein blocking step is useless in immunostaining of routinely fixed tissues.
Laser oscillations at submillimetre wavelengths from pulsed gas discharges in compounds of hydrogen, carbon and nitrogen (1965)

Stimulated emission at ten new wavelengths between 126 and 373μm was obtained with dimethylamine. The stronger lines were also obtained with seven related compounds and with several mixtures, notably methane and ammonia. A new spectrum (four lines between 181 and 205μm) was obtained with a mixture of deuterium and bromine cyanide. The radiation is tentatively attributed to HnCN with n >1.
The MAPK (ERK) Pathway: Investigational Combinations for the Treatment Of BRAF-Mutated Metastatic Melanoma. (2013)

The arrival of ipilimumab and vemurafenib has provided oncologists with new choices in a field in which options were slim and the prognosis was grim. Combination therapy may lead to an improved survival benefit.
Contextual Subspace Variational Quantum Eigensolver (2020)

We describe the contextual subspace variational quantum eigensolver (CS-VQE), a hybrid quantum-classical algorithm for approximating the ground state energy of a Hamiltonian. The approximation to the ground state energy is obtained as the sum of two contributions. The first contribution comes from a noncontextual approximation to the Hamiltonian, and is computed classically. The second contribution is obtained by using the variational quantum eigensolver (VQE) technique to compute a contextual correction on a quantum processor. In general the VQE computation of the contextual correction uses fewer qubits and measurements than the VQE computation of the original problem. Varying the number of qubits used for the contextual correction adjusts the quality of the approximation. We simulate CS-VQE on tapered Hamiltonians for small molecules, and find that the number of qubits required to reach chemical accuracy can be reduced by more than a factor of two. The number of terms required to compute the contextual correction can be reduced by more than a factor of ten, without the use of other measurement reduction schemes. This indicates that CS-VQE is a promising approach for eigenvalue computations on noisy intermediate-scale quantum devices.
Who are you with and where are you going? (2011)

We propose an agent-based behavioral model of pedestrians to improve tracking performance in realistic scenarios. In this model, we view pedestrians as decision-making agents who consider a plethora of personal, social, and environmental factors to decide where to go next. We formulate prediction of pedestrian behavior as an energy minimization on this model. Two of our main contributions are simple, yet effective estimates of pedestrian destination and social relationships (groups). Our final contribution is to incorporate these hidden properties into an energy formulation that results in accurate behavioral prediction. We evaluate both our estimates of destination and grouping, as well as our accuracy at prediction and tracking against state of the art behavioral model and show improvements, especially in the challenging observational situation of infrequent appearance observations-something that might occur in thousands of webcams available on the Internet.