gebhart/patrepeval huggingface dataset:
Measuring the Ultrafast Spectral Diffusion and Vibronic Coupling Dynamics in CdSe Colloidal Quantum Wells using Two-Dimensional Electronic Spectroscopy (2023)

We measure the ultrafast spectral diffusion, vibronic dynamics, and energy relaxation of a CdSe colloidal quantum wells (CQWs) system at room temperature using two-dimensional electronic spectroscopy (2DES). The energy relaxation of light-hole (LH) excitons and hot carriers to heavy-hole (HH) excitons is resolved with a time scale of ∼210 fs. We observe the equilibration dynamics between the spectroscopically accessible HH excitonic state and a dark state with a time scale of ∼160 fs. We use the center line slope analysis to quantify the spectral diffusion dynamics in HH excitons, which contains an apparent sub-200 fs decay together with oscillatory features resolved at 4 and 25 meV. These observations can be explained by the coupling to various lattice phonon modes. We further perform quantum calculations that can replicate and explain the observed dynamics. The 4 meV mode is observed to be in the near-critically damped regime and may be mediating the transition between the bright and dark HH excitons. These findings show that 2DES can provide a comprehensive and detailed characterization of the ultrafast spectral properties in CQWs and similar nanomaterials.
Cu-MOF-Catalyzed Carboxylation of Alkynes and Epoxides (2019)

The catalytic activity of copper-containing heterogeneous catalysts, in particular metal-organic frameworks, zeolites, and alumina-supported nanoparticles, in the carboxylation of terminal alkynes and oxiranes has been evaluated. Temperature dependences of these reactions have been studied.
Dynamic wind turbine models in power system simulation tool (2007)

The present report describes the dynamic wind turbine models implemented in the power system simulation tool DIgSILENT. The developed models are a part of the results of a national research project, whose overall objective is to create a model database in different simulation tools. The report provides a description of the wind turbine modelling, both at a component level and at a system level.
Serum Induction of MEF2/RSRF Expression in Vascular Myocytes Is Mediated at the Level of Translation (1995)

Vascular smooth muscle cells (VSMCs) reversibly coordinate the expression of VSMC-specific genes and the genes required for cell cycle progression. Here we demonstrate that isoforms of the MEF2/RSRF transcription factor are expressed in VSMCs and in vascular tissue. The MEF2A DNA-binding activity was upregulated when quiescent VSMCs were stimulated to proliferate with serum mitogens. The serum-induction of MEF2A DNA-binding activity occurred approximately 4 h following serum activation, and this correlated with an increase in the level of MEF2A protein without changes in the level of MEF2A mRNA or protein stability. These results indicate that MEF2A induction by serum is regulated at the level of translation.
Verifying forwarding plane connectivity and locating link failures using static rules in software defined networks (2013)

We present efficient solutions that install static rules on the forwarding elements such that network controllers use these rules to verify topology connectivity and locate link failures. For a forwarding plane with |E| links, we verify topology connectivity using ≤ 2|E| static rules and one control message. We guarantee locating at least one link failure using ≤ 6|E| static rules and ϴ(log(|E|)) control messages. We can also detect multiple link failures in a probabilistic sense.
Single Asymmetric Plasmonic Antenna as a Directional Coupler to a Dielectric Waveguide (2017)

Directional in-coupling of light into a single-mode SixNy waveguide is demonstrated using a single subwavelength asymmetrically shaped metallic nanoantenna. In simulation as well as experiments, we show that at its quadrupolar resonance the V-shaped antenna can couple near-infrared light in the waveguide with a directivity reaching 25 dB. As an ultracompact directional coupler in the near-infrared and visible spectral range, the investigated system constitutes an important building block for integrated nanophotonic circuits and sensors.
Destabilized and catalyzed borohydride for reversible hydrogen storage (2023)

A process of forming a hydrogen storage material, including the steps of: providing a borohydride material of the formula: M(BH.sub.4).sub.x where M is an alkali metal or an alkaline earth metal and 1.ltoreq.x.ltoreq.2; providing an alanate material of the formula: M.sub.1(AlH.sub.4).sub.x where M.sub.1 is an alkali metal or an alkaline earth metal and 1.ltoreq.x.ltoreq.2; providing a halide material of the formula: M.sub.2Hal.sub.x where M.sub.2 is an alkali metal, an alkaline earth metal or transition metal and Hal is a halide and 1.ltoreq.x.ltoreq.4; combining the borohydride, alanate and halide materials such that 5 to 50 molar percent from the borohydride material is present forming a reaction product material having a lower hydrogen release temperature than the alanate material.
Resveratrol: inibição in silico de histona deacetilase (HDAC-1 e HDAC-2) (2017)

Introducao: A anemia falciforme (AF) e considerada a hemoglobinopatia hereditaria cronica mais prevalente no mundo. Ela e caracterizada por uma mutacao pontual no sexto codon do gene beta-globina responsavel pela substituicao de timina por adenina (GTG para GAG). A ausencia de farmacos especificos para seu tratamento e uma das caracteristicas mais crueis da doenca. Alguns compostos, como o resveratrol (RVT), apresentam propriedades importantes para o tratamento dos sintomas da AF. Dentre as propriedades do RVT, destacam-se sua capacidade de aumentar a transcricao genica de gama-globina e a producao de hemoglobina fetal (HbF). Este efeito esta relacionado em partes a inibicao de histonas deacetilases (HDAC). As HDAC compoem uma familia de enzimas que atuam removendo grupamentos acetil introduzidos pela histona acetiltransferase (HAT), promovendo a condensacao da cromatina, prevenindo transcricao genica e, assim, contribuindo para a regulacao epigenetica. Objetivo: Realizar um estudo de ancoragem molecular do resveratrol no sitio ativo da HDAC-1 e HDAC-2. Metodologia: O programa Glide (suite Maestro Schrodinger®) foi utilizado para a realizacao dos estudos de ancoragem molecular. As estruturas cristalizadas da HDAC-1 e da HDAC-2 foram obtidas do Protein Data Bank (PDB: 4BKX e 4LX1, respectivamente) e preparadas utilizando a funcao Protein Preparation Wizard seguindo o seguinte protocolo: (i) remocao das moleculas de agua; (ii) adicao de atomos de hidrogenio; (iii) ligacoes de H atribuidas. Posteriormente, foi gerado o grid no sitio ativo de ambas proteinas no formato de uma caixa cubica de 12 x 12 x 12 A. Alem disso, os possiveis estados de ionizacao para o resveratrol foram simulados considerando o pH 7 ± 2. Os resultados foram expressos em valores de docking score e glide e-model (somatoria de todas as energias de interacoes). Para a validacao do modelo, foi utilizado o calculo do Root Mean Square (RMSD) entre a distância do ligante co-cristalizado da proteina, e o mesmo reancorado ao mesmo sitio. Foram considerados valores de ate 2 A do calculo do RMSD para um modelo de confianca. Resultados e Discussao: Atraves dos resultados de ancoragem molecular foi possivel observar as interacoes do resveratrol com os residuos de aminoacidos presentes no sitio ativo da HDAC-1 e HDAC-2, especificamente a hidroxila da posicao 4’ parece interagir com o atomo de zinco presente no sitio ativo. Embora RVT apresente capacidade de interagir com HDAC-1 e -2, nao foi possivel determinar a seletividade do resveratrol frente essas isoformas, tendo em vista a pequena diferenca de energia de ligacao entre elas. Conclusao: O resveratrol demonstrou interagir com o sitio ativo da HDAC-1 e HDAC-2 in silico, entretanto, sem apresentar seletividade frente as duas isoformas.
Cardiac Sarcomere Activation and its Therapeutic Application in Heart Failure (2017)

Medicinal Chemistry Reviewsis an outstanding 600 page volume providing timely and critical reviews of important topics in medicinal chemistry. It is provided free of charge to MEDI members in electronic format. Members can also order a print copy, for the cost of printing, shipping and handling
Assessing sweet sorghum juice and syrup quality and fermentation efficiency (2013)

Sweet sorghum is a C4 crop with high photosynthetic efficiency with a unique&#13;\nability of high carbon assimilation (50 g m-2 day-1) and accumulates high&#13;\nconcentrations of easily fermentable sugars (glucose, fructose and sucrose)&#13;\nin the stalks. Hence, it is widely believed that it is an alternate energy source&#13;\nthat is renewable, sustainable, efficient, cost-effective, convenient and safe to&#13;\nuse. Sucrose is the major sugar in sweet sorghum juice which constitutes up&#13;\nto 85% of the total sugars (Woods 2000). The sugar yields ranged between&#13;\n1.6 to 13.2 Mg ha-1, with significant variations observed between years and&#13;\nregions (Jackson et al. 1980; Reddy et al. 2007; Zhao et al. 2009). The juice&#13;\nsugar content is dependent on the crop stage, because fructose is more&#13;\nabundant at the early development stage, whereas sucrose tends to be&#13;\ndominant after heading (Sipos et al. 2009). The sweet sorghum juice sugar&#13;\ncontent ranged from 10 to 25 Brix% at maturity (Reddy et al. 2007; Ritter&#13;\net al. 2004). Research at the International Crops Research Institute for the&#13;\nSemi-Arid-Tropics (ICRISAT) showed that sweet sorghum juice yield ranges&#13;\nbetween 16.8 to 27.2 m3 ha-1 (Reddy et al. 2007) and accrues about 23%&#13;\nadditional returns vis-à-vis grain sorghum (Rao et al. 2009).
Evidence for a stem cell-specific repressor of Moloney murine leukemia virus expression in embryonal carcinoma cells. (1990)

A negative regulatory element (NRE) spanning the tRNA primer-binding site (PBS) of Moloney murine leukemia virus (M-MuLV) mediates repression of M-MuLV expression specifically in embryonal carcinoma (EC) cells. We precisely defined the element by base-pair mutagenesis to an 18-base-pair segment of the tRNA PBS and showed that the element also restricted expression when moved upstream of the long terminal repeat. A DNA-binding activity specific for the M-MuLV NRE was detected in vitro by using crude EC nuclear extracts in exonuclease III protection assays. Binding was strongly correlated with repression in EC cells. Mutations within the NRE that relieved repression disrupted binding activity. Also, nuclear extracts prepared from permissive, differentiated EC cell cultures showed reduced binding activity for the NRE. These results indicate the presence of a stem cell-specific repressor that extinguishes M-MuLV expression via the NRE at the tRNA PBS.
Pigs kept under commercial conditions respond to a higher dietary tryptophan: lysine ratio immediately after weaning (2013)

The recommended standardised ileal digestible (SID) ratio of tryptophan to lysine (Trp:Lys) is 0.16 for 7-11 kg pigs (NRC, 2012). However, Simongiovanni et al. (2012) showed the requirement for dietary Trp increases during inflammatory states, such as in the post-weaning period, suggesting that NRC (2012) recommendations might be insufficient. This study hypothesised that weaner pigs kept in commercial conditions will show a positive response to increased Trp:Lys ratios above the NRC (2012) recommendations.
Stereopure Oligonucleotides for the Selective Silencing of Mutant Huntingtin (4703) (2020)

To present evidence from preclinical studies that stereopure oligonucleotides promote selective silencing of mutant HTT (mHTT) through a single nucleotide polymorphism (SNP).
Effect of scattering centers on the optical loss of As2S3 glass fibers in the infrared (1994)

Scattering theory has been used to determine the effect of various defects on the scattering loss of As2S3 glass fibers. The scattering is related to the particle shape, size, relative refractive index, and wavelength of light. Bubbles possess the highest relative refractive index and therefore the highest scattering factor. For a given particle size and wavelength, the scattering decreases in the order bubbles≳carbon≳SiO2≳Al2O3≳As2S3. The calculations have been used to predict the maximum tolerable number of defects to obtain low attenuation equal to 10 dB/km at 5.0 μm.
Scintillation characteristics of LiCaAlF6-based single crystals under X-ray excitation (2013)

LiCaAlF6-based scintillators are studied under X- and soft gamma-ray excitations. Under nanosecond pulsed soft X-ray laser excitation the scintillation decay is measured with extremely high dynamical resolution and broad time scale. The undoped LiCaAlF6 shows complex temperature dependence of exciton luminescence and tunneling-driven energy transfer process in scintillation decay. In both the Ce and Eu-doped LiCaAlF6 the dominant part of measured scintillation decay is due to prompt recombination of electrons and holes at the doped emission centers. Nevertheless, the measured light yield value is considerably lower with respect to the derived upper limits. Possible origin of its deterioration is discussed.
Two‐Dimensional Array of Photoluminescent Light Sources by Selective Integration of Conjugated Luminescent Polymers into Three‐Dimensional Silicon Microstructures (2013)

Two-dimensional arrays of photoluminescent light sources with characteristic sizes and periods ranging from a few micrometers to tens of micrometers are obtained by selective F8BT integration into 3D silicon microstructures featuring 2D arrays of holes with different sizes, periods, and aspect ratios. Such a synergic integration of luminescent polymers and silicon microstructures paves the way for new photonics applications. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to 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.
Electronic absorption and emission spectra of binuclear platinum(II) complexes. Characterization of the lowest singlet and triplet excited states of tetrakis(diphosphonato)diplatinate(4-) anion (Pt2(H2P2O5)44-) (1983)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTElectronic absorption and emission spectra of binuclear platinum(II) complexes. Characterization of the lowest singlet and triplet excited states of tetrakis(diphosphonato)diplatinate(4-) anion (Pt2(H2P2O5)44-)Steven F. Rice and Harry B. GrayCite this: J. Am. Chem. Soc. 1983, 105, 14, 4571–4575Publication Date (Print):July 1, 1983Publication History Published online1 May 2002Published inissue 1 July 1983https://pubs.acs.org/doi/10.1021/ja00352a011https://doi.org/10.1021/ja00352a011research-articleACS PublicationsRequest reuse permissionsArticle Views574Altmetric-Citations119LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Integrating Image-Based Design and 3D Biomaterial Printing To Create Patient Specific Devices within a Design Control Framework for Clinical Translation (2016)

Despite significant advances in 3D biomaterial printing, the potential of 3D printing for patient specific implants and tissue reconstruction has not been fully exploited. This is due in part to the lack of integration of image-based patient specific design with 3D biomaterial printing within a relevant regulatory framework, namely design control, required by the FDA. In this manuscript, we describe the integration of image-based, multi-scale patient specific design with 3D biomaterial printing within a design control framework for clinical translation. Specifically, we define design inputs for patient specific implants and scaffolds, and utilize image-based patient specific design to achieve these design inputs. We then illustrate realization of these topology designed patient specific implants by laser sintering of polycaprolactone (PCL). Finally, we present initial results in large animal models using 3D printed PCL implants addressing two challenging problems in tissue reconstruction: 1) designing and 3D printing implantable devices to allow growth in pediatric airway applications and 2) utilizing 3D printed scaffolds as foundations for pre-fabricated flaps to obtain vascularization and bone formation for large volume bone/soft tissue reconstruction. We illustrate these challenging problems as they need to be incorporated in design control, but as of yet there is little data to direct how growth and vascularization should be utilized in design control.
Simple Method to Predict Power Level and Core Flow Rate of Boiling Water Reactors by Using One-Point Core Model (1982)

A simple one-point core model has been developed to predict startup and load following features of boiling water reactors (BWRs). The variables used in this model are core thermal power, core flow rate, xenon concentration and control rod pattern, where the last variable is expressed in terms of the corresponding thermal power at the rated core flow. The number of parameters to be identified is only three, and they are determined by flow control line, xenon reactivity coefficient and power reactivity coefficient. These parameters can be adjusted by using the actual operating data of BWR plants. The accuracy of the one-point core model was evaluated in some typical startup operations of a reference 800 MWe class BWR. The prediction errors of the model were within 2% of relative power in comparison with results of a three-dimensional BWR core simulator and within 3% in comparison with the operating data. Use of this one-point core model, with xenon-iodine maps, should successfully predict reactor conditions, even when employing only simple hand-calculations.
Design of thin-film filters for the monitoring of chemical reactions (1997)

A new optical computation method for the monitoring of chemical reactions requires filters with spectral transmittance curves that vary in a complicated way with wavelength. In this paper we consider the design of two different sets of filters, one of which could be used to predict the degree of curing of a polymer from an analysis of its Raman spectra. The problem is not easy because the required filters have sharp spectral features in a narrow spectral region. Two different design methods are used. The performance of one set designed by conventional means is very close to the specifications. However, current thin film deposition methods are probably incapable of producing filters of such thickness. The second solution is based on the use of several filters placed in series. It should be possible to implement this particular solution, but its performance is not nearly as good. Nevertheless, calculations indicate that this filter pair should also result in a satisfactory control of the curing process.
Close look at charge carrier injection in polymer field-effect transistors (2003)

Parasitic contact resistance effects are becoming a major issue in organic transistors in that they can severely limit or even dominate their overall transistor performance. We present a systematic study of the contact resistance in bottom-contact polymer field-effect transistors made from poly(3-hexylthiophene) (P3HT) as well as poly-9,9′dioctyl-fluorene-co-bithiophene (F8T2). A microscopic approach based on noncontact scanning-probe potentiometry was used to directly separate the transport properties of the transistor channel and the electrode/polymer contacts, giving very accurate experimental access to both the source and drain contact resistance. The influence of the relevant parameters (temperature, electrode work function, ionization potential of the polymer, charge carrier mobility) on the source/drain contact resistance is investigated. We find that for “good” source/drain contacts that give rise to relatively small overall contact resistances (⩽50 kΩ cm), e.g., P3HT with chromium–gold electrodes, the source and the drain contact resistances are almost identical and are governed by bulk transport through the conjugated polymer. However, for “bad” contacts with a Schottky barrier for hole injection φb⩾0.3 eV, e.g., F8T2 with gold electrodes, the source contact resistance is considerably larger than the drain contact resistance and is dominated by charge-carrier injection at the source. Surprisingly small activation energies of 60–140 meV have been found for the source contact resistance, which are smaller than both φb and the activation energy of the mobility. From this we conclude that the commonly assumed (diffusion-limited) thermionic-emission models do not adequately describe the charge injection process in bottom-contact polymer transistors. On the basis of our results we propose a simple model, in which the source contact resistance is assumed to be the sum of resistance arising from the injection process and resistance due to bulk transport through a depletion region, whereas only the latter contributes to the drain contact resistance.
Adverse Events Following COVID-19 Vaccine in Patients Previously Injected with Facial Filler: Scoping Review and Case Report (2021)

The “Vaccines and Related Biological Products Advisory Committee 17 December 2020 Meeting Briefing Document”, formulated by the FDA, reported three cases of swelling in areas previously injected with HA filler, introducing the possible relationship between a COVID-19 vaccine and adverse events in areas previously injected with HA fillers. The aim of this research is to report a case of an adverse event following a COVID-19 vaccine in a patient previously injected with facial filler. Furthermore, a scoping review on the same topic was performed. The research was carried out on the electronic databases PubMed, Cochrane Library, Web of Science, Google Scholar and Scopus. The selection process identified four articles as eligible for inclusion in the review. Nineteen patients, including the described case report, who experienced an adverse event following a COVID-19 vaccine in areas previously injected with facial filler were identified. Adverse events following a COVID-19 vaccine in patients previously injected with facial filler appear to be rare. A high BDDE cross-linking rate and/or a low-molecular-weight hyaluronic acid filler may have a higher tardive adverse event rate when triggered.
The Novel Bromodomain and Extraterminal Domain Inhibitor INCB054329 Induces Vulnerabilities in Myeloma Cells That Inform Rational Combination Strategies (2018)

Preclinical data reveal insights into vulnerabilities created in myeloma cells by BET protein inhibition and potential strategies that can be leveraged in clinical studies to enhance the activity of INCB054329.