gebhart/patrepeval huggingface dataset:
Catalytic oxidation of Li 2 S on the surface of metal sulfides for Li−S batteries (2017)

Polysulfide binding and trapping to prevent dissolution into the electrolyte by a variety of materials has been well studied in Li-S batteries. Here we discover that some of those materials can play an important role as an activation catalyst to facilitate oxidation of the discharge product, Li<sub>2</sub>S, back to the charge product, sulfur. Combining theoretical calculations and experimental design, we select a series of metal sulfides as a model system to identify the key parameters in determining the energy barrier for Li<sub>2</sub>S oxidation and polysulfide adsorption. We demonstrate that the Li<sub>2</sub>S decomposition energy barrier is associated with the binding between isolated Li ions and the sulfur in sulfides; this is the main reason that sulfide materials can induce lower overpotential compared with commonly used carbon materials. Fundamental understanding of this reaction process is a crucial step toward rational design and screening of materials to achieve high reversible capacity and long cycle life in Li-S batteries.
Fourier reconstruction for diffraction tomography of an object rotated into arbitrary orientations (2021)

In this paper, we study the mathematical imaging problem of optical diffraction tomography (ODT) for the scenario of a microscopic rigid particle rotating in a trap created, for instance, by acoustic or optical forces. Under the influence of the inhomogeneous forces the particle carries out a time-dependent smooth, but complicated motion described by a set of affine transformations. The rotation of the particle enables one to record optical images from a wide range of angles, which largely eliminates the "missing cone problem" in optics. This advantage, however, comes at the price that the rotation axis in this scenario is not fixed, but continuously undergoes some variations, and that the rotation angles are not equally spaced, which is in contrast to standard tomographic reconstruction assumptions. In the present work, we assume that the time-dependent motion parameters are known, and that the particle's scattering potential is compatible with making the first order Born or Rytov approximation. We prove a Fourier diffraction theorem and derive novel backprojection formulae for the reconstruction of the scattering potential, which depends on the refractive index distribution inside the object, taking its complicated motion into account. This provides the basis for solving the ODT problem with an efficient non-uniform discrete Fourier transform.
SARS-CoV-2 Control on a Large Urban College Campus Without Mass Testing (2021)

ABSTRACT Objective A small percentage of universities and colleges conduct mass SARS-CoV-2 testing. However, universal testing is resource-intensive, strains national testing capacity, and false negative tests can encourage unsafe behaviors. Participants A large urban university campus. Methods Virus control centered on three pillars: mitigation, containment, and communication, with testing of symptomatic and a random subset of asymptomatic students. Results Random surveillance testing demonstrated a prevalence among asymptomatic students of 0.4% throughout the term. There were two surges in cases that were contained by enhanced mitigation and communication combined with targeted testing. Cumulative cases totaled 445 for the term, most resulting from unsafe undergraduate student behavior and among students living off-campus. A case rate of 232/10,000 undergraduates equaled or surpassed several peer institutions that conducted mass testing. Conclusions An emphasis on behavioral mitigation and communication can control virus transmission on a large urban campus combined with a limited and targeted testing strategy.
Effect of Structural Modification on Photodynamic Activity of Hypocrellins (2001)

Aluminum ion complexed 5,8-di-Br-hypocrellin B is a new water-soluble perylenequinonoid derivative with enhanced absorption over hypocrellin B (HB) in the phototherapeutic window (600-900 nm). Electron paramagnetic resonance and 9,10-diphenyl-anthracene bleaching methods were used to investigate the photosensitizing activity of [AL2(5,8-di-Br-HB)Cl4]n in the presence of oxygen. Singlet oxygen, superoxide anion radical and hydroxyl radical can be generated by [AL2(5,8-di-Br-HB)CL4]n photosensitization. Singlet oxygen (1O2) is formed via energy transfer from triplet-state [AL2(5,8-di-Br-HB)CL4]n to ground-state molecular oxygen. 1O2 participates in the generation of a portion of superoxide anion radical (O2.-). Besides superoxide anion radical (O2.-) may originate from the electron transfer between the triplet-state [AL2(5,8-di-Br-HB)CL4]n and the ground-state molecular oxygen. OH is formed through the Fenton-Haber-Weiss reaction and the decomposition of DMPO-1O2 adduct. Compared with HB [AL2(5,8-di-Br-HB)CL4]n primarily remains and enhances the generation efficiency of superoxide anion radical and hydroxyl radical but that of singlet oxygen decreases.
SMPSO: A new PSO-based metaheuristic for multi-objective optimization (2009)

In this work, we present a new multi-objective particle swarm optimization algorithm (PSO) characterized by the use of a strategy to limit the velocity of the particles. The proposed approach, called Speed-constrained Multi-objective PSO (SMPSO) allows to produce new effective particle positions in those cases in which the velocity becomes too high. Other features of SMPSO include the use of polynomial mutation as a turbulence factor and an external archive to store the non-dominated solutions found during the search. Our proposed approach is compared with respect to five multi-objective metaheuristics representative of the state-of-the-art in the area. For the comparison, two different criteria are adopted: the quality of the resulting approximation sets and the convergence speed to the Pareto front. The experiments carried out indicate that SMPSO obtains remarkable results in terms of both, accuracy and speed.
TGF-β1-containing exosomes from cardiac microvascular endothelial cells mediate cardiac fibroblast activation under high glucose conditions (2021)

Cardiac fibroblast (CF)-mediated extracellular matrix (ECM) remodeling is the key pathological basis for the occurrence and development of diabetic cardiomyopathy (DCM); its specific regulatory mechanisms have been widely studied but remain unclear. Exosomes are a type of stable signal transmission medium, and exosome-mediated cell-cell interactions play an important role in DCM. Endothelial cells form an important barrier between circulation and cardiomyocytes, in addition to being an important endocrine organ of the heart and an initial target for hyperglycemia, a key aspect in the development of DCM. We previously showed that exosomes derived from cardiac microvascular endothelial cells (CMECs) under high glucose conditions can be taken up by cardiomyocytes and regulate autophagy, apoptosis, and glucose metabolism. Consequently, in the present study, we focused on how exosomes mediate the interaction between CMECs and CFs. Surprisingly, exosomes derived from CMECs under high glucose were rich in TGF-β1 mRNA, which significantly promoted the activation of CFs. Additionally, exosomes derived from CMECs under high glucose conditions aggravated perivascular and interstitial fibrosis in mice treated with streptozotocin. Herein, we demonstrated for the first time the capacity of exosomes, released by CMECs under high glucose, to mediate fibroblast activation through TGF-β1 mRNA, which may be potentially beneficial in the development of exosome-targeted therapies to control DCM.
A NOVEL SYNTHESIS OF VICINALLY N,S-DISUBSTITUTED OLEFINS FROM LITHIO SULFENYLTRIMETHYLSILYLMETHANE AND AMIDE (1980)

Abstract Vicinally N,S-disubstituted olefins are synthesized in good yields from amides by treating with lithio sulfenyltrimethylsilylmethanes.
An Efficient and Improved Route for the Preparation of (S)-5-Aminomethyloxazolidinone Libraries (2004)

ADVERTISEMENT RETURN TO ISSUEReportNEXTAn Efficient and Improved Route for the Preparation of (S)-5-Aminomethyloxazolidinone LibrariesSang Woong Kim, Jung Gyu Lee, Eun Ju Lee, Hea-Young Park Choo, Chung Youl Yoo, Dae Yon Lee, Kyoung Rok Roh, and Eon Kyeom KimView Author Information Leadgenex, Inc., Venture Town Dasan, 1687-2 Shinil Dong, Daedeok Gu, Taejeon, 306-230, Korea, and Ewha Women University, School of Pharmacy, Seoul, 120-750, Korea Cite this: J. Comb. Chem. 2004, 6, 6, 851–854Publication Date (Web):September 15, 2004Publication History Received8 April 2004Published online15 September 2004Published inissue 1 November 2004https://pubs.acs.org/doi/10.1021/cc0499237https://doi.org/10.1021/cc0499237brief-reportACS PublicationsCopyright © 2004 American Chemical SocietyRequest reuse permissionsArticle Views574Altmetric-Citations10LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsSupporting Info (2)»Supporting Information Supporting Information SUBJECTS:Antimicrobial agents,Azides,Organic compounds,Peptides and proteins,Transfer reactions Get e-Alerts
Fabrication and Electrical Characteristics of Single Electron Tunneling Devices Based on Si Quantum Dots Prepared by Plasma Processing (1997)

This paper presents results on the fabrication of single electron tunneling devices using silicon nanocrystals. We prepare silicon nanocrystals of uniform particle size by very-high-frequency plasma processing and deposit them on a poly-silicon electrode structure having a very small inter-electrode separation of 26–70 nm. Current-voltage ( I – V ) characteristics show Coulomb blockade and Coulomb staircase at 77 K. For very narrow electrode separation, Coulomb staircase appears in I - V characteristics even at room temperature.
Stereotactic radiotherapy in the treatment of ocular melanoma: A noninvasive eye fixation aid and tracking system (2003)

Ocular melanoma is frequently treated using brachytherapy implants (such as 125I and 60Co plaques or 184Ta wire), surgery, or external beam radiotherapy using small 60Co beams, high energy x-rays, or proton therapy. The last technique, though very expensive, provides improved dose distributions and dose localizations in the treatment of tumours adjacent to critical normal tissues. The technique of fractionated stereotactic radiotherapy is now being used at an increasingly large number of centers in the treatment of lesions in the brain, and the head and neck. This article describes the successful extension of the stereotactic technique to the treatment of ocular melanoma: an eye fixation aid is attached to a noninvasive, relocatable Gill-Thomas-Cosman head frame together with a simple eye-movement tracking system.
Research Data Supporting Mixed Hierarchical Local Structure in a Disordered Metal–Organic Framework (2021)

Amorphous metal–organic frameworks (MOFs) are an emerging class of materials. However, their structural characterisation represents a significant challenge. Fe BTC, and the commercial equivalent Basolite® F300, are MOFs with incredibly diverse catalytic ability, yet their disordered structures remain poorly understood. Here, we use advanced electron microscopy to identify a nanocomposite structure of Fe BTC where nanocrystalline domains are embedded within an amorphous matrix, whilst synchrotron total scattering measurements reveal the extent of local atomic order within Fe BTC. We use a polymerisation-based algorithm to generate an atomistic structure for Fe-BTC, the first example of this methodology applied to the amorphous MOF field outside the well-studied zeolitic imidazolate framework family. This demonstrates the applicability of this computational approach towards the modelling of other amorphous MOF systems with potential generality towards all MOF chemistries and connectivities. We find that the structures of Fe-BTC and Basolite® F300 can be represented by models containing a mixture of short- and medium-range order with a greater proportion of medium-range order in Basolite® F300 than in Fe-BTC. We conclude by discussing how our approach may allow for high-throughput computational discovery of functional, amorphous MOFs.
Effect of Injection Strategy on Cold Start Performance in an Optical Light-Duty DI Diesel Engine (2009)

&lt;div class="htmlview paragraph"&gt;The present study investigates cold start at very low temperatures, down to −29 deg C. The experiments were conducted in an optical light duty diesel engine using a Swedish class 1 environmental diesel fuel. In-cylinder imaging of the natural luminescence using a high speed video camera was performed to get a better understanding of the combustion at very low temperature conditions. Combustion in cold starting conditions was found to be asymmetrically distributed in the combustion chamber. Combustion was initiated close to the glow plug first and then transported in the swirl direction to the adjacent jets. A full factorial study was performed on low temperature sensitivity for cold start. The effects of cooling down the engine by parts on stability and noise were studied. Furthermore, different injection strategies were investigated in order to overcome the limited fuel evaporation process at very low temperatures. A strategy with 3 pilot injections and increasing fuel quantity for each injection gave a more homogeneous combustion. The natural luminescence was symmetrically distributed in the piston bowl and all the jets contributed to the combustion. Significant improvements in combustion stability, load level and potential for load increase were observed as well.&lt;/div&gt;
Electron transport in Fe‐doped polyvinyl acetate films (1990)

Abstract The electrical conductivity and current‐voltage characteristics of pure and Fe 3+ ‐doped polyvinyl acetate films have been studied for various temperatures and bias field strengths. The activation energy for conduction showed an increasing trend with increasing dopant concentration. This has been attributed to the formation of molecular aggregates. The variation of electrical conductivity for doped films with temperature showed three regions with different activation energies. This behaviour has been explained in terms of the type of conduction mechanism operating in the material. It has been suggested that at low temperatures the conduction is electronic while at high temperatures it appears to be ionic. As the dopant concentration increases ionic conduction tends to dominate the electronic conduction even at low temperatures. From the current‐voltage measurements it has been concluded that the conduction mechanism tends towards Schottky type with increasing dopant concentration.
Substrate Specificity of the Macrolide‐Glycosylating Enzyme Pair DesVII/DesVIII: Opportunities, Limitations, and Mechanistic Hypotheses (2006)

Two's Company: DesVII, a glycosyltransferase involved in the biosynthesis of macrolide antibiotics, is unusual in that it requires an additional protein partner, DesVIII, for its full activity. The level of substrate tolerance of the DesVII/DesVIII pair was explored. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2006/z503195_s.pdf or from the author. 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.
<title>Estimating surface reflectance properties from images under unknown illumination</title> (2001)

Physical surfaces such as metal, plastic, and paper possess different optical qualities that lead to different characteristics in images. We have found that humans can effectively estimate certain surface reflectance properties from a single image without knowledge of illumination. We develop a machine vision system to perform similar reflectance estimation tasks automatically. The problem of estimating reflectance form single images under unknown, complex illumination proves highly under-constrained due to the variety of potential reflectances and illuminations. Our solution relies on statistical regularities in the spatial structure of real-world illumination. These regularities translate into predictable relationships between surface reflectance and certain statistical features of the image. We determine these relationships using machine learning techniques. Our algorithms do not depend on color or polarization; they apply even to monochromatic imagery. An ability to estimate reflectance under uncontrolled illumination will further efforts to recognize materials and surface properties, tp capture computer graphics models from photographs, and to generalize classical motion and stereo algorithms such that they can handle non-Lambertian surfaces.
Antimicrobial activity of aroma chemicals and essential oils (1979)

Abstract Determination of the minimum inhibitory concen‐trations (MIC) of 212 common soap fragrance raw materials demonstrated that the paper disc‐petri plate technique does not reflect the relative anti‐microbial activity of these materials. Commonly used soap bacteriostats were shown to be 100 to 1000 times more effective than the most active fragrance materials. Of 521 fragrance materials initially screened by the petri plate method, 44% were inhibitory against one of the three test organisms, and 15% were effective against all three (Staphylococcus aureus, Escherichia coli, Candida albicans). Of a selected number (212) of these positive materials, subsequently screened against a lipophilic diphtheroid organism (Corynebacterium sp.), 64 materials (30%) were positive against all four test organisms. However, only nine materials (4%) had a MIC as low as 50 ppm compared to the common soap bacteriostat TCC, which had a MIC of 0.08 ppm (vs. S. aureus). In hand‐degerming tests, no reduction of bacterial counts was obtained with a soap containing the most active fragrance materials. These results demonstrate that creation of a practical antimicrobial soap fragrance does not appear to be possible.
Effects of aging and dietary protein intake on uninephrectomized geriatric dogs (1994)

Thirty-one clinically normal Cocker Spaniels, Miniature Schnauzers, and Doberman Pinschers (28 female, 3 male) 7 to 8 years old were uninephrectomized (month -2) to increase the risk of renal damage associated with reduction of renal mass. Two diets, differing principally in protein concentration, were used to test the hypothesis that high dietary protein intake causes renal damage in aging dogs. For 2 months after uninephrectomy, all dogs were fed diet A (18% protein). After glomerular filtration rate (GFR) was measured (month 0), 16 dogs were assigned to group A and were fed diet A for an additional 48 months. The other 15 dogs were assigned to group B, and were fed diet B (34% protein) for the subsequent 48 months. At 6-month intervals, GFR and urine protein-to-creatinine ratio (UP/C) were determined. At 48 months, terminal studies were done, survivors were euthanatized, and tissues were examined. Of 16 dogs in group A, 10 survived, compared with 13 of 15 in group B. Among survivors, a significant difference in GFR was not found between groups A and B, and decrease in GFR was not evident with time in either group. At 48 months, oral administration of casein caused minor acute effects on GFR and renal plasma flow in dogs of groups A and B. The UP/C values increased significantly (P = 0.001) from baseline values, but the increase was not progressive. The UP/C values were not affected by diet. Some dogs in both groups developed UP/C > 1.0.(ABSTRACT TRUNCATED AT 250 WORDS)
The processing of idealized echoes resonantly scattered by submerged shells (1990)

The acoustic scattering that results when penetrable underwater targets are insonified by transient waveforms is studied. The targets are various elastic shells—and also a rigid sphere for comparison—of several thicknesses that are described either exactly by the equations of three-dimensional elasticity, or approximately by means of Donnell's shell theory. Significant signal processing parameters are outlined that are useful at the source, at the target, and at the receiver to predict quantitatively the nature of the entire scattering process taking place around a submerged structure. These parameters play an important role in the ultimate goal of active target identification [cf. G. Gaunaurd, J. Acoust. Soc. Am. Suppl. 1 85, S134 (1989)]. This approach, which exploits similarities with the radar literature, is first introduced here for targets away from environmental boundaries and in noiseless media. One should first know what type of echo should one receive from a sonar target, before such return is corrupted and distorted by the environment. The idealized situation described here already uses much of the machinery of statistical communication theory (viz., matched filters, correlations and ambiguity functions, etc.) and is well suited for later extensions to cases accounting for high noise levels and for proximity to boundaries. The pertinent quantities are illustrated with many computed displays related to: (a) the incident pulses; (b) the targets themselves; and (c) the backscattered pulses.
Comparison of the photoactivities of two commercial titanium dioxide powders in the degradation of 1,4-dioxane (2023)

&lt;p&gt;Two diﬀerent commercial photocatalysts, Degussa P25 and Hombikat UV 100, were used to degrade 1,4-dioxane photocatalytically in an annular slurry photoreactor. The optimum photocatalyst loading for Degussa P25 was found to be 1.5gL−1 while for Hombikat UV 100 was between 3.0–4.0gL−1. The photoactivity of Degussa P25 is higher than that of Hombikat at lower photocatalyst loadings whereas it is lower at higher photocatalyst loadings. This was found both experimentally and also by mathematical modeling of the radiation within the photoreactor zone. The photoactivity of UV 100 titanium dioxide was found to be twice that of Degussa P25 at optimum loadings.&lt;/p&gt; &lt;p&gt;&lt;br&gt;&lt;/p&gt;
A comparative study of mechanically alloyed and mechanically milled Nd10Fe84B6 (1996)

A comparative study has been made of the structures and magnetic properties of Nd10Fe84B6 prepared by mechanical alloying using elemental powders as starting materials and by mechanical milling of the alloy. Both milling procedures resulted in a mixture of α-Fe and an amorphous phase, with the fraction of α-Fe phase being significantly higher in the as-milled mechanically alloyed powder than in the mechanical milled counterpart. Annealed mechanically alloyed powders showed a somewhat coarser and nonuniform grain structure in comparison with annealed mechanically milled powders. The structural differences of mechanically milled and mechanically alloyed powders resulted in higher remanences and coercivities being exhibited by the mechanically milled powders after annealing.