gebhart/patrepeval huggingface dataset:
Enhanced Diradical Nature in Oxyallyl Derivatives Leads to Near Infra Red Absorption:  A Comparative Study of the Squaraine and Croconate Dyes Using Computational Techniques<sup>†</sup> (2007)

We apply many criteria to estimate the diradical character of the ground state singlets of several oxyallyl derivatives. This is carried out as the oxyallyl derivatives like squaraine and croconate dyes can be represented by both mesoionic and diradical formulas, the domination of which would characterize its lowest energy transition. One criterion applied is the singlet-triplet gap, which is known to be inversely proportional to the diradical character. Another criterion is the occupation number; this is determined for the symmetry broken state of the molecules in the unrestricted formalism, and the difference of occupation in the HOMO and LUMO is related to the diradical character. The diradical character of all of the croconates and few squaraines is estimated to be large. All of these have absorption above 750 nm and can be classified as near infrared (NIR) dyes, leading to the inference that NIR absorptions in these molecules are largely due to the dominance of the diradical character. To understand the reliability of the DFT methods for the absorption property predictions of these molecules, TD-DFT studies to calculate the vertical excitation energies have been carried out, using the B3LYP/ BLYP exchange correlation functionals and the LB94 asymptotic functional with and without the inclusion of solvent. The deviations, in both the squaraine series (average lower diradical character), are found to be systematic, and with the inclusion of the solvent in the calculation, the deviations decrease. The best least-squares fit with the experimentally observed values using B3LYP /6-311G(d, p) for the symmetric squaraines yields an R value of 0.92 and, for the unsymmetric squaraines, an R value of 0.936. With inclusion of the solvent, the R value is 0.96 for the symmetric squaraines and 0.961 for the unsymmetric squaraines, indicating that these DFT functionals with linear scaling may be used to study these systems. The croconate dyes, however, have larger deviation from the experimentally observed values in all of the functionals studied even after inclusion of the solvent effects. The deviations are also not systematic. The deviation with respect to the experiment in this case is attributed to the average larger diradical character in this series.
Determination of hydrogen cyanide in combustion gases by a four-channel continuous analyzer (1977)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDetermination of hydrogen cyanide in combustion gases by a four-channel continuous analyzerDesmond A. ReillyCite this: Anal. Chem. 1977, 49, 2, 322–326Publication Date (Print):February 1, 1977Publication History Published online1 May 2002Published inissue 1 February 1977https://pubs.acs.org/doi/10.1021/ac50010a035https://doi.org/10.1021/ac50010a035research-articleACS PublicationsRequest reuse permissionsArticle Views60Altmetric-Citations5LEARN 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 optionsGet e-Alertsclose Get e-Alerts
Integration of CAD and FEA for Design of Fabricated Structures (1987)

<div class="htmlview paragraph">Integration of product design and computer aided analysis is practical in todays engineering environment thru a CAD graphics data base. Finite element analysis (FEA) can be used to improve design engineering productivity, efficiency, and quality. Finite element models which are required to perform the analysis, can be constructed from the same geomety that defines the product on a CAD system. These features will be discussed in detail as they apply to fabricated structures.</div>
Monostatic propagation channel enhanced backscatter effects: a comparison of refractive spectral models (1996)

Enhanced backscatter effects associated with the mean intensity and scintillation index for a monostatic propagation channel through atmospheric turbulence are analyzed for two spectral models of refractive-index fluctuations. The analysis presented here shows that using a more physically realistic modified spectrum with inner and outer scale parameters as well as a high-wave-number rise (bump) can lead to significantly different results than those predicted by the idealized Kolmogorov power law spectrum. The target models used in this analysis include a smooth target finite mirror, glint target finite retroreflector, and a rough surface target (Lambert surface). The general method of analysis is based on weak fluctuation theory.
Improved Elevated Temperature Cycling of LiMn[sub 2]O[sub 4] Spinel Through the Use of a Composite LiF-Based Electrolyte (2001)

A composite electrolyte containing LiF and a tris(pentafluorophenyl)borane (TPFPB) anion complexing agent displays superior thermal and electrochemical stability compared to commercial -based electrolytes. Severe capacity fading of a cell, with a commercial electrolyte, was observed when cycled at 55°C. The capacity fading was attributed to acidic products, from salt hydrolysis and decomposition of the solvent, which degraded electrode. The composite electrolyte containing LiF and TPFPB is not moisture sensitive and does not produce acidic species. At room temperature, the composite electrolyte shows an improvement in capacity maintenance with cycling. However, at 55°C the improvement is much greater. © 2001 The Electrochemical Society. All rights reserved.
[Design of new oligonucleotide derivatives resistant to cell nucleases]. (1990)

A new type of modified antisense oligodeoxyribonucleotides is suggested, containing an intercalating drug (e.g., daunomycin (Dnm-NH2)) at one end of the oligonuleotide, and a compound, improving the oligonucleotide transport into the cell, e.g., polymyxin B1 (PmH) at its other end. Schemes for joining these antibiotics to the terminal groups of oligonucleotides have been developed. From undecanucleotide pTGTAAAACGACp (I); the corresponding derivative (Pm)pTGTAAAACGACp (NH-Dnm) (II) was obtained with 20% yield. It was found that joining of daunomycin significantly lowers the rate of the oligonucleotide's exonuclease degradation, whereas joining of polymyxin blocks the degradation completely. Derivative (II) is much more stable to hydrolysis by cell enzymes that the unmodified oligonucleotide (I): upon incubation with E. coli cells (I) is quantitatively hydrolyzed with in 40 minutes while (II) is hydrolyzed by 30% with in 24 h. Derivative (II) is also better adsorbed by E. coli cells. This sort of derivative of antisense oligonucleotides may prove to be efficient inhibitors of the gene expression.
Simulating Reach Motions (1999)

<div class="section abstract"><div class="htmlview paragraph">Modeling normal human reach behavior is dependent on many factors. Anthropometry, age, gender, joint mobility and muscle strength are a few such factors related to the individual being modeled. Reach locations, seat configurations, and tool weights are a few other task factors that can affect dynamic reach postures.</div><div class="htmlview paragraph">This paper describes how two different modeling approaches are being used in the University of Michigan Human Motion Simulation Laboratory to predict normal seated reaching motions. One type of model uses an inverse kinematic structure with an optimization procedure that minimizes the weighted sum of the instantaneous velocity of each body segment. The second model employs a new functional regression technique to fit polynomial equations to the angular displacements of each body segment.</div><div class="htmlview paragraph">To develop and validate these models, 38 subjects of widely varying age and anthropometry were asked to perform reaching motions while seated in simulated vehicle or industrial workplace. Between 48 and 72 reaches were required of each subject, for a total of over 7000 reaches. During these motions a Qualysis motion capture system was combined with an Ascension Technology Corporation Flock of Birds system to record the movements of each person’s torso, shoulders, arm, forearm and hand.</div><div class="htmlview paragraph">The paper discusses how the models differ in construction and performance, and how our existing biomechanical models can be linked to the new kinematic models for improved dynamic ergonomic evaluations.</div><div class="htmlview paragraph">Ongoing research being conducted on human motion simulations at the University of Michigan’s HUMOSIM Laboratory also is described.</div></div>
Enhanced chemiluminescence of the luminol–AgNO<sub>3</sub> system by Ag nanoparticles (2011)

The oxidation reaction of luminol with AgNO(3) can produce chemiluminescence (CL) in the presence of silver nanoparticles (NPs) in alkaline solution. Based on the studies of UV-vis absorption spectra, photoluminescence (PL) spectra and CL spectra, a CL enhancement mechanism is proposed. The CL emission spectrum of the luminol-AgNO(3)-Ag NPs system indicated that the luminophore was still 3-aminophthalate. On injection of silver nanoparticles into the mixture of luminol and AgNO(3), they catalysed the reduction of AgNO(3) by luminol. The product luminol radicals reacted with the dissolved oxygen, to produce a strong CL emission. As a result, the CL intensity was substantially increased. Moreover, the influences of 18 amino acids, e.g. cystine, tyrosine and asparagine, and 25 organic compounds, including gallic acid, tannic acid and hydroquinone, on the luminol-AgNO(3)-Ag NPs CL system were studied by a flow-injection procedure, which led to an effective method for detecting these compounds.
TADB: a web-based resource for Type 2 toxin–antitoxin loci in bacteria and archaea (2010)

TADB (http://bioinfo-mml.sjtu.edu.cn/TADB/) is an integrated database that provides comprehensive information about Type 2 toxin-antitoxin (TA) loci, genetic features that are richly distributed throughout bacterial and archaeal genomes. Two-gene and much less frequently three-gene Type 2 TA loci code for cognate partners that have been hypothesized or demonstrated to play key roles in stress response, bacterial physiology and stabilization of horizontally acquired genetic elements. TADB offers a unique compilation of both predicted and experimentally supported Type 2 TA loci-relevant data and currently contains 10,753 Type 2 TA gene pairs identified within 1240 prokaryotic genomes, and details of over 240 directly relevant scientific publications. A broad range of similarity search, sequence alignment, genome context browser and phylogenetic tools are readily accessible via TADB. We propose that TADB will facilitate efficient, multi-disciplinary and innovative exploration of the bacteria and archaea Type 2 TA space, better defining presently recognized TA-related phenomena and potentially even leading to yet-to-be envisaged frontiers. The TADB database, envisaged as a one-stop shop for Type 2 TA-related research, will be maintained, updated and improved regularly to ensure its ongoing maximum utility to the research community.
Nyudvikling af projektarbejdsformen på RUC – beskrivelse og analyse af et eksperiment: ”Antologieksperimentet” (2012)

Artiklen beskriver og analyserer et undervisningseksperiment ved RUC, som udvider og udvikler projektpædagogikken i felterne mellem den enkelte projektdeltager og de fælles grupperinger, som studerende indgår i på RUC. Der redegøres for projektets opbygning omkring en klyngestruktur, og der knyttes an til læringsteoretikerne Etienne Wenger og Donald Schön. Desuden inddrages aktionsforskning.
Design professionals and the built environment: encountering boundaries 20 years after the Americans with Disabilities Act (2011)

This article posits that although it has been 20 years since the passage of the Americans with Disabilities Act (ADA), a continuing tension remains between truly understanding and protecting the rights of people with disabilities and eliminating discrimination via the design of the built environment. Focus group and interview findings document the expressed and contradictory attitudes of practicing interior designers. This article demonstrates that although interior designers apply ADA design and construction guidelines as required by US laws and generally concede its universal benefits, the majority have not adopted the underlying spirit of the landmark civil rights law. Since interior designers ignore the essence of the ADA, the large scale use of non-discriminatory practices in the design of the built environment has progressed little during these two decades.
The compactness and separableness on the 2-probabilistic metric space (1995)

This paper bring forward the concept of probabilistic compactness. Sequential compactness and separableness on the 2--probabilistic metric space and study the relation between them.
Dictionary of automotive engineering (1989)

This useful reference book is now available in paperback to cater for the vast number of automobile technicians, engineers, students and enthusiasts who need a really comprehensive and technically up-to-date guide to the language of motor vehicle engineering. It explains the technical terms clearly and concisely. Diagrams illustrate many of the more complex items, and a separate list of acronyms and initials is provided. Extensive cross-referencing allows the reader to explore the meanings of related terms. The scope of the dictionary ranges from the formal terminology of the professional engineer to the vernacular of the driver and mechanic. It draws on vast amounts of source material, both American and British, technical, official and informal.
Spectral reuse with independent CDMA systems in a shadowed environment (2003)

The mutual interference caused by independent terrestrial-radio CDMA systems located in close proximity is investigated. The effects of propagation law, log-normal shadowing, and base station separation on the capacity of the CDMA systems are analyzed.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
<scp>AAPM</scp>‐<scp>RSS</scp> Medical Physics Practice Guideline 9.a. for <scp>SRS</scp>‐<scp>SBRT</scp> (2017)

The American Association of Physicists in Medicine (AAPM) is a nonprofit professional society whose primary purposes are to advance the science, education, and professional practice of medical physics. The AAPM has more than 8,000 members and is the principal organization of medical physicists in the United States. The AAPM will periodically define new practice guidelines for medical physics practice to help advance the science of medical physics and to improve the quality of service to patients throughout the United States. Existing medical physics practice guidelines will be reviewed for revision or renewal, as appropriate, on their fifth anniversary or sooner. Each medical physics practice guideline represents a policy statement by the AAPM, has undergone a thorough consensus process in which it has been subjected to extensive review, and requires the approval of the Professional Council. The medical physics practice guidelines recognize that the safe and effective use of diagnostic and therapeutic radiology requires specific training, skills, and techniques, as described in each document. Reproduction or modification of the published practice guidelines and technical standards by those entities not providing these services is not authorized. The following terms are used in the AAPM practice guidelines: Must and Must Not: Used to indicate that adherence to the recommendation is considered necessary to conform to this practice guideline. Should and Should Not: Used to indicate a prudent practice to which exceptions may occasionally be made in appropriate circumstances. Approved by AAPM Professional Council 3-31-2017 and Executive Committee 4-4-2017.
Relative Contributions of Genes, Environment, and Interactions to Blood Lipid Concentrations in a General Adult Population (2005)

The authors evaluated the contributions of nine genetic (G) variants (selected from 275 single nucleotide polymorphisms in 11 reverse cholesterol transport pathway genes), five environmental (E) factors (selected from 10), and G x G, E x E, and G x E interactions in explaining population variance of blood lipid concentrations. Total cholesterol, triglycerides, and high density lipoprotein (HDL) cholesterol were measured, and low density lipoprotein (LDL) cholesterol and HDL cholesterol/LDL cholesterol ratio were calculated in a population-based random sample of 1,543 men and women in Geneva, Switzerland, aged 35-74 years in 1999-2001. Explained variances (R2) for HDL cholesterol/LDL cholesterol ratio, HDL cholesterol, and LDL cholesterol, respectively, were 34%, 33%, and 19%, decomposed into main effects of G (6%, 4%, and 5%) and E (25%, 28%, and 11%), with just 3%, 2%, and 3% due to G x G, E x E, and G x E interactions, respectively. Risk factor clustering was only moderate: 70% of study subjects had < or =3 variants, 75% had < or =2 environmental exposures, and 69% had < or =5 of both types of factors. Multiple genes with weak associations, together with more dominating environmental factors, are involved in determining blood lipid concentrations. Interactions added little explained variance. Increasing trends in hypercholesterolemia are attributable to environmental changes affecting populations as a whole. Reducing obesity and smoking and moderating alcohol intake in entire populations should remain the primary strategies for lipid control.
Nanomedicine and Nanotoxicology: The Pros and Cons for Neurodegeneration and Brain Cancer (2015)

Current strategies for brain diseases are mostly symptomatic and noncurative. Nanotechnology has the potential to facilitate the transport of drugs across the blood-brain barrier and to enhance their pharmacokinetic profile. However, to reach clinical application, an understanding of nanoneurotoxicity in terms of oxidative stress and inflammation is required. Emerging evidence has also shown that nanoparticles have the ability to alter autophagy, which can induce inflammation and oxidative stress, or vice versa. These effects may increase neurodegenerative processes damage, but on the other hand, they may have benefits for brain cancer therapies. In this review, we emphasize how nanomaterials may induce neurotoxic effects focusing on neurodegeneration, and how these effects could be exploited toward brain cancer treatment.
POWER SURGE FOR LAB (2006)

RETURN TO ISSUEPREVNewsNEXTPOWER SURGE FOR LABEnergy crisis and presidential initiative bring new visibility to decades of research at 30-year-old National Renewable Energy LaboratoryJEFF JOHNSONView Author Information C&EN WASHINGTONCite this: Chem. Eng. News 2006, 84, 35, 13–17Publication Date (Print):August 28, 2006Publication History Published online14 November 2010Published inissue 28 August 2006https://pubs.acs.org/doi/10.1021/cen-v084n035.p013https://doi.org/10.1021/cen-v084n035.p013newsACS PublicationsCopyright © 2006 American Chemical SocietyArticle Views9Altmetric-Citations1LEARN 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 options SUBJECTS:Energy,Lipids Get e-Alerts
Emerging mobile and wireless networks (2000)

article Free AccessEmerging mobile and wireless networks Authors: Upkar Varshney Georgia State Univ., Atlanta Georgia State Univ., AtlantaView Profile , Ron Vetter Univ. of North Carolina at Wilmington, Wilmington Univ. of North Carolina at Wilmington, WilmingtonView Profile Authors Info & Claims Communications of the ACMVolume 43Issue 6June 2000 pp 73–81https://doi.org/10.1145/336460.336478Published:01 June 2000Publication History 165citation7,589DownloadsMetricsTotal Citations165Total Downloads7,589Last 12 Months262Last 6 weeks21 Get Citation AlertsNew Citation Alert added!This alert has been successfully added and will be sent to:You will be notified whenever a record that you have chosen has been cited.To manage your alert preferences, click on the button below.Manage my AlertsNew Citation Alert!Please log in to your account Save to BinderSave to BinderCreate a New BinderNameCancelCreateExport CitationPublisher SiteView all FormatsPDF
Optical properties of semiconductor heterostructures for active photonic device modeling (2000)

This article describes a newly developed physics-based approach to calculating the optical properties of III–V semiconductor heterostructures for active photonic device modeling. The consistent microscopic formulation of the complex permittivity in bulk and quantum well layers, in combination with the rigorous solution of the light propagation in absorbing multilayer structure with uniaxial anisotropy, provides a powerful tool for the design and simulation of the real life devices. As modeling examples, InP-based edge-emitting and vertical cavity laser structures are analyzed regarding free carrier effects on their optical properties.
Untersuchungen zum Isotopeneinfluß auf den Intramolekularen Protonentransfer in 2-(1′-Hydroxy-2′-naphthyl )-benzothiazol (1980)

Article Untersuchungen zum Isotopeneinfluß auf den Intramolekularen Protonentransfer in 2-(1′-Hydroxy-2′-naphthyl )-benzothiazol was published on February 1, 1980 in the journal Zeitschrift für Physikalische Chemie (volume 261O, issue 1).