gebhart/patrepeval huggingface dataset:
Structural characterization of mono-ruthenium substituted Keggin-type silicotungstates (2006)

We have synthesized the mono-ruthenium substituted Keggin-type silicotungstate [SiW(11)O(39)Ru(III)(H(2)O)](5-) (1a) by reaction of the mono-lacunary silicotungstate precursor [SiW(11)O(39)](8-) with Ru(acac)(3) under hydrothermal conditions and isolated as the caesium salt Cs(5)[SiW(11)O(39)Ru(III)(H(2)O)] (1). The DMSO-coordinated complex [SiW(11)O(39)Ru(III)(DMSO)](5-) (2a) was prepared by reaction of 1a with DMSO in aqueous solution at 353 K and isolated as the caesium-potassium mixed salt Cs(4.9)K(0.1)[SiW(11)O(39)Ru(III)(DMSO)] (2). Both compounds 1 and 2 were characterized by single-crystal X-ray structure analysis, powder X-ray structure analysis, UV-Vis spectroscopy, cyclic voltammetry, IR-spectroscopy and elemental analysis. 1 crystallized in the tetragonal space group P4(2)/ncm with a = 20.9299(4), c = 10.3603(4) Angstrom, Z = 4. The ruthenium atom in the Keggin unit could not be distinguished from the tungsten due to disorder. The structural analysis of 2 (monoclinic, P2(1)/c, a = 13.5850(4), b = 20.2764(7), c = 18.1326(4) Angstrom, beta = 90.8730(10) degrees , Z = 4) successfully revealed that the incorporated ruthenium atom is coordinated by DMSO through a Ru-S bond. Polyanion 2a represents the first mono-substituted Keggin ion in which the ruthenium center is not crystallographically disordered. UV-Vis spectroscopy combined with controlled potential electrolysis confirmed that the incorporated rutheniums in 1 and 2 have a valence state of +3. The IR spectra of both 1 and 2 were very similar. All these data indicate that 1 synthesized by reaction of the mono-lacunary silicotungstate K(8)[SiW(11)O(39)] with Ru(acac)(3) under hydrothermal conditions is truly the mono-ruthenium substituted Keggin-type silicotungstate.
New Appearance Models for Image Matting (2009)

Image matting is the task of estimating a fore- and background layer from a single image. To solve this ill posed problem, an accurate modeling of the scene’s appearance is necessary. Existing methods that provide a closed form solution to this problem, assume that the colors of the foreground and background layers are locally linear. In this paper, we show that such models can be an overfit when the colors of the two layers are locally constant. We derive new closed form expressions in such cases, and show that our models are more compact than existing ones. In particular, the null space of our cost function is a subset of the null space constructed by existing approaches.  We discuss the bias towards specific solutions for each formulation. Experiments on synthetic and real data confirm that our compact models estimate alpha mattes more accurately than existing techniques, without the need of additional user interaction.
Localization using boundary sensors (2007)

We consider sensors, such as fibers, lasers, and pyroelectric motion detectors, that fire when objects cross a boundary. A moving object can be localized by analyzing sequences of boundary crossings. We consider the number of distinct sequences and object positions that can be achieved using boundary sensors in one- and two-dimensional spaces. For 1D systems we use representations of sensor sequences on graphs to derive limits on the number of object locations that can be monitored by a given sensor population and sequence length. For 2D systems we show that in certain circumstances the ratio of the number of unique sensor sequences to the number of unique object paths is exponential in the sequence length and we argue that the probability of unique identification is high for sufficiently large sequences. We also prove the triangle grid can track an object with error limited to a small neighborhood.
Efficient Fine-Tuning of BERT Models on the Edge (2022)

Resource-constrained devices are increasingly the deployment targets of machine learning applications. Static models, however, do not always suffice for dynamic environments. On-device training of models allows for quick adaptability to new scenarios. With the increasing size of deep neural networks, as noted with the likes of BERT and other natural language processing models, comes increased resource requirements, namely memory, computation, energy, and time. Furthermore, training is far more resource intensive than inference. Resource-constrained on-device learning is thus doubly difficult, especially with large BERT-like models. By reducing the memory usage of fine-tuning, pre-trained BERT models can become efficient enough to fine-tune on resource-constrained devices. We propose Freeze And ReconFigure (FAR), a memory-efficient training regime for BERT-like models that reduces the memory usage of activation maps during fine-tuning by avoiding unnecessary parameter updates. FAR reduces fine-tuning time on the DistilBERT model and CoLA dataset by 30 %, and time spent on memory operations by 47%. More broadly, reductions in metric performance on the GLUE and SQuAD datasets are around 1% on average.
Heterogenisation of Acylperrhenate on Mesoporous Materials and its Application in Catalysis (2006)

Abstract Acylperrhenate is grafted on the surface of mesoporous silicates and aluminiosilicate molecular sieves through available surface silanol and acidic hydroxy groups. The intactness of the mesoporous supports and the nature of the catalytic species is demonstrated by XRD, TEM, FT‐IR, N 2 adsorption‐desorption and elemental analysis. The grafted materials are applied for alkene epoxidation. The catalysts are found to be stable against decomposition on the surfaces and to exhibit good catalytic activity. However, during the course of repeated catalytic runs, some leaching associated with subsequent decomposition of the catalyst is observed, reducing the activity of the materials.
HELICOBACTER PYLORIINFECTION IN CHINESE SUBJECTS WITH TYPE 2 DIABETES (2001)

The relationship between diabetes and Helicobacter pylori (HP) infection is controversial. In this study, we examined the possible relationship between HP infection and type 2 diabetes in Chinese subjects. Sixty-three Chinese type 2 diabetic patients (mean age +/- SD: 49.9 +/- 12.0 years; range: 17-76 years) were recruited irrespective of the duration of diabetes or type of therapy. Twenty-nine (46%) of them had upper gastrointestinal symptoms and the other 34 (54%) did not. Another 55 age- and sex-matched non-diabetic subjects (mean age +/- SD: 45.6 +/- 15.6 years, p=0.098; range 18-79 years) with dyspepsia indicated for upper endoscopy were recruited as a comparison group. Upper endoscopy was performed with antral mucosal biopsy specimens taken for rapid urease test (CLO test). HP infection was considered to be present if the rapid urease test was positive. The rates of HP infection of the diabetic and non-diabetic individuals were 50.8% and 56.4% respectively (p: NS). The rate of HP infection was similar between the 2 groups of diabetic patients with or without gastrointestinal symptoms (42.9% vs. 56.3%, p: NS). Using logistic regression analysis (forward stepwise) with age, sex, glycaemic control, duration of diabetes and upper gastrointestinal symptoms as independent variables to predict the risk of HP infection in diabetic patients, none of the parameters enter into the model. In conclusion, the rate of HP infection in Hong Kong Chinese subjects with type 2 diabetes is around 50%, which is similar to control subjects. No association was found between HP infection, glycaemic status, and duration of diabetes and upper gastrointestinal symptoms in these diabetic subjects.
Dental biomaterials for chairside CAD/CAM: State of the art (2017)

The wide use of chairside CAD/CAM restorations has increased the diversity of the restorative material. For the practitioner, the selection of the appropriate material is difficult amongst the variety offered by the market. Information on the characteristics of the products can be difficult to assess due to the lack of up-to-date classification and the lack of reliability of manufacturer's advertising. The purpose of this article is to structure the data on restorative materials provided by various sources in order for the practitioner to choose the product most suited to the clinical situation. The objective is to classify chairside CAD/CAM materials and to define their characteristics and indications.
Deep-subwavelength light transmission in hybrid nanowire-loaded silicon nano-rib waveguides (2017)

Hybrid plasmonic waveguides leveraging the coupling between dielectric modes and plasmon polaritons have emerged as a major focus of research attention during the past decade. A feasible way for constructing practical hybrid plasmonic structures is to integrate metallic configurations with silicon-on-insulator waveguiding platforms. Here we report a transformative high-performance silicon-based hybrid plasmonic waveguide that consists of a silicon nano-rib loaded with a metallic nanowire. A deep-subwavelength mode area (λ2/4.5×105−λ2/7×103), in conjunction with a reasonable propagation distance (2.2–60.2 μm), is achievable at a telecommunication wavelength of 1.55 μm. Such a nano-rib-based waveguide outperforms its conventional hybrid and plasmonic waveguiding counterparts, demonstrating tighter optical confinement for similar propagation distances and a significantly enhanced figure of merit. The guiding properties of the fundamental mode are also quite robust against possible fabrication imperfections. Due to the strong confinement capability, our proposed hybrid configuration features ultralow waveguide cross talk and enables submicron bends with moderate attenuation as well. The outstanding optical performance renders such waveguides as promising building blocks for ultracompact passive and active silicon-based integrated photonic components.
Li-Ion Permeability of Holey Graphene in Solid State Batteries: A Particle Dynamics Study (2022)

Lithium (Li)-ion permeability of holey graphene (hG) for use as an electrically conducting scaffold in solid-state battery electrodes is explored through the means of a particle dynamics simulation model. While carbon materials do not typically exhibit Li-ion conductivity, the unique structural motif of hG, which consists of two-dimensional nanosheets with arrays of through-thickness holes, may present an opportunity for Li-ion conductors (i.e., solid electrolyte (SE) particles) to make contacts through the holes. In our model, the SE is presented as a system of hard elastic spheres conductive to Li-ions. The SE spheres are in contact with each other through compression between two plane current collectors. One hG layer is inserted between the current collectors and parallel to them. Randomly distributed circular holes in the hG allow for contact between the SE particles on both sides of the hG layer. By solving the Li-ion conducting network formed between the electrodes through the contact points of all the particles, the overall conductivity of the system was calculated as a function of SE particle size and the size and number of the hG holes (i.e., hG porosity). A critical ratio of around 4 between the SE particle size and the pore size was found. Below this critical value, the hG layer becomes practically transparent for Li-ions. This study helps to guide the design of highly efficient solid-state electrode composition and architectures using hG as a unique electrically conducting scaffold.
Optical Flow Estimation using a Spatial Pyramid Network (2016)

We learn to compute optical flow by combining a classical spatial-pyramid formulation with deep learning. This estimates large motions in a coarse-to-fine approach by warping one image of a pair at each pyramid level by the current flow estimate and computing an update to the flow. Instead of the standard minimization of an objective function at each pyramid level, we train one deep network per level to compute the flow update. Unlike the recent FlowNet approach, the networks do not need to deal with large motions; these are dealt with by the pyramid. This has several advantages. First, our Spatial Pyramid Network (SPyNet) is much simpler and 96% smaller than FlowNet in terms of model parameters. This makes it more efficient and appropriate for embedded applications. Second, since the flow at each pyramid level is small (&lt; 1 pixel), a convolutional approach applied to pairs of warped images is appropriate. Third, unlike FlowNet, the learned convolution filters appear similar to classical spatio-temporal filters, giving insight into the method and how to improve it. Our results are more accurate than FlowNet on most standard benchmarks, suggesting a new direction of combining classical flow methods with deep learning.
Data from Preclinical Development of MGC018, a Duocarmycin-based Antibody–drug Conjugate Targeting B7-H3 for Solid Cancer (2023)

&lt;div&gt;Abstract&lt;p&gt;B7-H3, also referred to as CD276, is a member of the B7 family of immune regulatory proteins. B7-H3 is overexpressed on many solid cancers, including prostate cancer, renal cell carcinoma, melanoma, squamous cell carcinoma of the head and neck, non–small cell lung cancer, and breast cancer. Overexpression of B7-H3 is associated with disease severity, risk of recurrence and reduced survival. In this article, we report the preclinical development of MGC018, an antibody–drug conjugate targeted against B7-H3. MGC018 is comprised of the cleavable linker-duocarmycin payload, valine-citrulline-&lt;i&gt;seco&lt;/i&gt; duocarmycin hydroxybenzamide azaindole (vc-&lt;i&gt;seco&lt;/i&gt;-DUBA), conjugated to an anti-B7-H3 humanized IgG1/kappa mAb through reduced interchain disulfides, with an average drug-to-antibody ratio of approximately 2.7. MGC018 exhibited cytotoxicity toward B7-H3–positive human tumor cell lines, and exhibited bystander killing of target-negative tumor cells when cocultured with B7-H3–positive tumor cells. MGC018 displayed potent antitumor activity in preclinical tumor models of breast, ovarian, and lung cancer, as well as melanoma. In addition, antitumor activity was observed toward patient-derived xenograft models of breast, prostate, and head and neck cancer displaying heterogeneous expression of B7-H3. Importantly, MGC018 exhibited a favorable pharmacokinetic and safety profile in cynomolgus monkeys following repeat-dose administration. The antitumor activity observed preclinically with MGC018, together with the positive safety profile, provides evidence of a potentially favorable therapeutic index and supports the continued development of MGC018 for the treatment of solid cancers.&lt;/p&gt;&lt;/div&gt;
Generation of palladium blacks from organometallic compounds (1985)

The authors used chemical analysis, derivatography, and IR and x-ray photoelectron spectroscopy to study blacks prepared from palladium organometallic compounds. The active phase on the surface of these blacks is palladium in an oxidation state close to zero. The activity and selectivity of these catalysts in the liquid-phase hydrogenation of acetylenic bonds depends on the nature of the ligands of the starting pi-allylic palladium compounds, increasing in the series Cl is less than C/sub 5/H/sub 5/ is less than PPh/sub 3/.
Exploring surround haptics displays (2010)

In this paper we present the design and evaluation of a two dimensional haptics display intended to be used for enhancing experience for movies and rides. The display, haptics surface, utilizes an array of vibrators contacting the skin at discrete locations and creates static and dynamic haptic sensations derived from scenes and situations. For this regard, a set of haptic morphs are introduced that can be used as building blocks to create new sensations on the skin. A novel haptic sensation, haptic blur, is also introduced that gives an illusion of continuous motion across the skin using discrete vibrating points. A pilot study investigating the reliability of haptic blur along a two dimensional skin surface is presented along with conceptual discussion on future haptic feelings rendered through the haptics surface.
Acute and chronic pain following craniotomy: a review (2005)

Postoperative pain is an important clinical problem that has received increasing attention in recent years. However, pain following craniotomy has been a comparatively neglected topic; this review seeks to redress this imbalance. A brief overview of the anatomy of the skull and its linings is given, with particular reference to innervation. The various approaches for craniotomies are classified, with their association with acute and long-term effects on analgesic requirements. A comprehensive search of the literature was undertaken to ascertain the incidence of acute pain post craniotomy and current thoughts on pharmacological management, touching briefly on pre-emptive treatment. Also discussed is the much neglected but nevertheless real incidence of chronic pain following craniotomy and its underlying pathogenesis, prevention and treatment.
PM-Assisted Synchronous Reluctance Machine Drive System for Micro-Hybrid Application (2019)

The demand for increased power and improved fuel economy are driving changes in alternator technology for automotive applications. To meet these demands requires a drive system with capabilities of torque assist, regenerative braking and power generation to supply vehicle loads while keeping the battery charged. Furthermore, to minimize add-on cost, the system must be air-cooled with minimal changes to the vehicle hardware and operate at 12 V with the same or smaller packaging footprint of the current alternator. In this paper, a low cost 12 V, 4 kW air-cooled permanent magnet-assisted synchronous reluctance machine drive system for a micro-hybrid vehicle is presented. The design and analysis in terms of machine, inverter, controller, and control algorithm are discussed in detail. Thermal performance of the system under different operating conditions, which is another key aspect for the harsh environment application, is also studied. Fuel economy analysis of the proposed low-cost micro-hybrid system for a Segment B vehicle shows significant reduction in fuel consumption resulting in a direct benefit to the customer. Finally, a prototype drive system was built and tested and found to meet the cost, performance, and packaging requirements.
Numerical integration techniques for curved-element discretizations of molecule-solvent interfaces (2007)

urface formulations of biophysical modeling problems offer attractive theoretical and computational properties. Numerical simulations based on these formulations usually begin with discretization of the surface under consideration; often, the surface is curved, possessing complicated structure and possibly singularities. Numerical simulations commonly are based on approximate, rather than exact, discretizations of these surfaces. To assess the strength of the dependence of simulation accuracy on the fidelity of surface representation, here methods were developed to model several important surface formulations using exact surface discretizations. Following and refining Zauhar’s work [J. Comput.-Aided Mol. Des. 9, 149 (1995) ], two classes of curved elements were defined that can exactly discretize the van der Waals, solvent-accessible, and solvent-excluded (molecular) surfaces. Numerical integration techniques are presented that can accurately evaluate nonsingular and singular integrals over these curved surfaces. After validating the exactness of the surface discretizations and demonstrating the correctness of the presented integration methods, a set of calculations are presented that compare the accuracy of approximate, planar-triangle-based discretizations and exact, curved-element-based simulations of surface-generalized-Born (sGB), surface-continuum van der Waals (scvdW), and boundary-element method (BEM) electrostatics problems. Results demonstrate that continuum electrostatic calculations with BEM using curved elements, piecewise-constant basis functions, and centroid collocation are nearly ten times more accurate than planar-triangle BEM for basis sets of comparable size. The sGB and scvdW calculations give exceptional accuracy even for the coarsest obtainable discretized surfaces. The extra accuracy is attributed to the exact representation of the solute-solvent interface; in contrast, commonly used planar-triangle discretizations can only offer improved approximations with increasing discretization and associated increases in computational resources. The results clearly demonstrate that the methods for approximate integration on an exact geometry are far more accurate than exact integration on an approximate geometry. A MATLAB implementation of the presented integration methods and sample data files containing curved-element discretizations of several small molecules are available online as supplemental material.
Expanded cells in monoclonal TCR-αβ+/CD4+/NKa+/CD8−/+dim T-LGL lymphocytosis recognize hCMV antigens (2008)

Recent studies suggest the potential involvement of common antigenic stimuli on the ontogeny of monoclonal T-cell receptor (TCR)-alphabeta(+)/CD4(+)/NKa(+)/CD8(-/+dim) T-large granular lymphocyte (LGL) lymphocytosis. Because healthy persons show (oligo)clonal expansions of human cytomegalovirus (hCMV)-specific TCRVbeta(+)/CD4(+)/cytotoxic/memory T cells, we investigate the potential involvement of hCMV in the origin and/or expansion of monoclonal CD4(+) T-LGL. Peripheral blood samples from patients with monoclonal TCR-alphabeta(+)/CD4(+) T-LGL lymphocytosis and other T-chronic lymphoproliferative disorders were evaluated for the specific functional response against hCMV and hEBV whole lysates as well as the "MQLIPDDYSNTHSTRYVTVK" hCMV peptide, which is specifically loaded in HLA-DRB1*0701 molecules. A detailed characterization of those genes that underwent changes in T-LGL cells responding to hCMV was performed by microarray gene expression profile analysis. Patients with TCR-alphabeta(+)/CD4(+) T-LGL displayed a strong and characteristic hCMV-specific functional response, reproduced by the hCMV peptide in a subset of HLA-DRB1*0701(+) patients bearing TCRVbeta13.1(+) clonal T cells. Gene expression profile showed that the hCMV-induced response affects genes involved in inflammatory and immune responses, cell cycle progression, resistance to apoptosis, and genetic instability. This is the first study providing evidence for the involvement of hCMV in the ontogeny of CD4(+) T-LGL, emerging as a model disorder to determine the potential implications of quite a focused CD4(+)/cytotoxic immune response.