gebhart/patrepeval huggingface dataset:
Existence of continuous-wave threshold for organic semiconductor lasers (2011)

We develop a model that predicts two threshold pump intensities in optically pumped organic semiconductor lasers (OSLs); one for pulsed lasing, ${I}_{PS}$, and another for continuous-wave (CW) lasing, ${I}_{CW}$. The theory predicts a decrease in ${I}_{CW}$ from 32 kW/cm${}^{2}$, or well above the damage threshold, to 2.2 kW/cm${}^{2}$, for a laser employing 4-(dicyanomethylene)-2-methyl-6-julolidyl-9-enyl-4H-pyran--doped tris(8-hydroxyquinoline) aluminum if the triplets can be effectively removed from the emissive guest. Based on this analysis, we demonstrate that the lasing duration can be extended to nearly 100 \ensuremath{\mu}s, ultimately limited by degradation of the lasing medium when a ``triplet manager'' molecule, 9,10-di(naphtha-2-yl)anthracene, is blended into the gain region of an otherwise conventional distributed feedback OSL. The triplet manager facilitates radiative singlet transfer while suppressing nonradiative triplet transfer to the emitter molecule, thus reducing the triplet-induced losses. Our theory conclusively shows that these lasers have entered the CW lasing regime.
[X-ray computed tomographic aspects of mesenteric panniculitis]. (1990)

Mesenteric panniculitis also known as lipodystrophy is an inflammatory condition of adipose tissue. A case of a 55 year old, female who presented a weight loss and a tender palpable mass located in the left flank is reported. CT patterns were not specific but might suggest the diagnosis: fatty mass, with a higher density than subcutaneous fat, located in the root of the mesentery and surrounding mesenteric vessels without distoting them. Intestinal loops were only pulled in periphery. This signs are not always present and even in this typical pattern mesenteric panniculitis could not be differentiated from liposarcoma. Thus an histological proof was needed. The evolution was good, with resolution of the abdominal pain. The knowledge of this rare Radioclinical syndrome should prevent any aggressive therapy.
A Novel Three-Phase Model of Brain Tissue Microstructure (2008)

We propose a novel biologically constrained three-phase model of the brain microstructure. Designing a realistic model is tantamount to a packing problem, and for this reason, a number of techniques from the theory of random heterogeneous materials can be brought to bear on this problem. Our analysis strongly suggests that previously developed two-phase models in which cells are packed in the extracellular space are insufficient representations of the brain microstructure. These models either do not preserve realistic geometric and topological features of brain tissue or preserve these properties while overestimating the brain's effective diffusivity, an average measure of the underlying microstructure. In light of the highly connected nature of three-dimensional space, which limits the minimum diffusivity of biologically constrained two-phase models, we explore the previously proposed hypothesis that the extracellular matrix is an important factor that contributes to the diffusivity of brain tissue. Using accurate first-passage-time techniques, we support this hypothesis by showing that the incorporation of the extracellular matrix as the third phase of a biologically constrained model gives the reduction in the diffusion coefficient necessary for the three-phase model to be a valid representation of the brain microstructure.
Statistical model-based evaluation of neural networks (2020)

Using a statistical model-based data generation, we develop an experimental setup for the evaluation of neural networks (NNs). The setup helps to benchmark a set of NNs vis-a-vis minimum-mean-square-error (MMSE) performance bounds. This allows us to test the effects of training data size, data dimension, data geometry, noise, and mismatch between training and testing conditions. In the proposed setup, we use a Gaussian mixture distribution to generate data for training and testing a set of competing NNs. Our experiments show the importance of understanding the type and statistical conditions of data for appropriate application and design of NNs
Similar Motion Retrieval for Dynamic 3D Mesh Based on Modified Shape Distributions (2006)

A similar motion search and retrieval system for dynamic 3D mesh is presented based on a modified shape distribution algorithm. In this paper, three fundamental functions for efficient retrieval have been developed: feature extraction, motion segmentation, and matching. Stable shape feature representation of 3D models has been realized by the modified shape distribution algorithm. Segmentation has been carried out by analyzing the degree of motion using the extracted feature vectors. Then, similar motion retrieval has been achieved employing the dynamic programming in the feature vector space.
Track Gage Widening: Model Study (1979)

The paper contains a study of two models which represent the mechanisms of gage widening and rail roll in a track subjected to vertical, lateral, and longitudinal loading. The deformation mechanisms of the rail-fasteners-tie system under service loads was investigated, and the results compared with track test data. It was found that two distinct deformation mechanisms, rail translation and rail roll are mechanically coupled by the track system and can not be readily separated in any analysis.
Food Intake Adaptation to Dietary Fat Involves PSA-Dependent Rewiring of the Arcuate Melanocortin System in Mice (2012)

Hormones such as leptin and ghrelin can rapidly rewire hypothalamic feeding circuits when injected into rodent brains. These experimental manipulations suggest that the hypothalamus might reorganize continually in adulthood to integrate the metabolic status of the whole body. In this study, we examined whether hypothalamic plasticity occurs in naive animals according to their nutritional conditions. For this purpose, we fed mice with a short-term high-fat diet (HFD) and assessed brain remodeling through its molecular and functional signature. We found that HFD for 3 d rewired the hypothalamic arcuate nucleus, increasing the anorexigenic tone due to activated pro-opiomelanocortin (POMC) neurons. We identified the polysialic acid molecule (PSA) as a mediator of the diet-induced rewiring of arcuate POMC. Moreover, local pharmacological inhibition and genetic disruption of the PSA signaling limits the behavioral and metabolic adaptation to HFD, as treated mice failed to normalize energy intake and showed increased body weight gain after the HFD challenge. Altogether, these findings reveal the existence of physiological hypothalamic rewiring involved in the homeostatic response to dietary fat. Furthermore, defects in the hypothalamic plasticity-driven adaptive response to HFD are obesogenic and could be involved in the development of metabolic diseases.
Emission properties of dioxorhenium(V) complexes in aqueous solutions of anionic and nonionic surfactants: a sensitive probe of hydrophobic binding regions (1989)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTEmission properties of dioxorhenium(V) complexes in aqueous solutions of anionic and nonionic surfactants: a sensitive probe of hydrophobic binding regionsH. Holden Thorp, Challa V. Kumar, Nicholas J. Turro, and Harry B. GrayCite this: J. Am. Chem. Soc. 1989, 111, 12, 4364–4368Publication Date (Print):June 1, 1989Publication History Published online1 May 2002Published inissue 1 June 1989https://pubs.acs.org/doi/10.1021/ja00194a032https://doi.org/10.1021/ja00194a032research-articleACS PublicationsRequest reuse permissionsArticle Views165Altmetric-Citations26LEARN 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
Strain design optimization using reinforcement learning (2022)

Engineered microbial cells present a sustainable alternative to fossil-based synthesis of chemicals and fuels. Cellular synthesis routes are readily assembled and introduced into microbial strains using state-of-the-art synthetic biology tools. However, the optimization of the strains required to reach industrially feasible production levels is far less efficient. It typically relies on trial-and-error leading into high uncertainty in total duration and cost. New techniques that can cope with the complexity and limited mechanistic knowledge of the cellular regulation are called for guiding the strain optimization. In this paper, we put forward a multi-agent reinforcement learning (MARL) approach that learns from experiments to tune the metabolic enzyme levels so that the production is improved. Our method is model-free and does not assume prior knowledge of the microbe's metabolic network or its regulation. The multi-agent approach is well-suited to make use of parallel experiments such as multi-well plates commonly used for screening microbial strains. We demonstrate the method's capabilities using the genome-scale kinetic model of Escherichia coli, k-ecoli457, as a surrogate for an in vivo cell behaviour in cultivation experiments. We investigate the method's performance relevant for practical applicability in strain engineering i.e. the speed of convergence towards the optimum response, noise tolerance, and the statistical stability of the solutions found. We further evaluate the proposed MARL approach in improving L-tryptophan production by yeast Saccharomyces cerevisiae, using publicly available experimental data on the performance of a combinatorial strain library. Overall, our results show that multi-agent reinforcement learning is a promising approach for guiding the strain optimization beyond mechanistic knowledge, with the goal of faster and more reliably obtaining industrially attractive production levels.
Nonvolatile Memory Characteristics with Embedded Hemispherical Silicon Nanocrystals (2007)

Silicon nanocrystal-embedded memories were fabricated by using the thermal agglomeration of an ultrathin (1.5 –1.8 nm) amorphous silicon (a-Si) film. The a-Si was deposited on a 4-nm tunnel-oxide layer by electron beam evaporation and subsequently annealed in situ at 850 oC for 5 min. Hemispherical Si nanocrystals were self-assembled, and nonvolatile memories were fabricated after depositing a 17-nm control-oxide layer. A threshold voltage window of 0.9V was achieved under write/erase (W/E) voltages of ±10 V, and good endurance characteristics up to 104 cycles were exhibited. Increasing W/E voltages created a large memory window (>2:7 V), and the retention characteristics showed little temperature dependence up to 85 oC.
Chronic Kidney Disease Progression (2006)

Whether we like it or not, nephrologists around the world have been called to action. Our mission is to attenuate the growth of chronic kidney disease (CKD). Several conditions will need to gel for us to succeed. Although we now have a better understanding of its alarming incidence and prevalence
Induction of high-affinity interleukin 1 receptor on human peripheral blood lymphocytes by glucocorticoid hormones. (1988)

The in vitro effect of glucocorticoids (GCs) on IL-1-R expression of human PBMCs was investigated. Both physiological and pharmacological concentration ranges of GC increased the specific binding of 125I-labeled human rIL-1 alpha to PBMCs. This enhancement was specific for GC, since other steroid hormones, such as progesterone, 17 beta-estradiol, and testosterone failed to elevate the binding of 125I-IL-1 alpha to PBMCs. The effect was time dependent with maximal effect occurring 6 h after treatment and dose dependent with half-maximal effect elicited by 100 nM prednisolone. Scatchard plot analysis indicated that 125I-IL-1 alpha binding increased from approximately 100 IL-1-R per cell to 2 X 10(3) receptors per cell without a major change in affinity (Kd = 2.6 X 10(-10) M). The subpopulation of PBMCs induced by GC to express higher levels of IL-1-R consisted predominantly of B lymphocytes, but not T lymphocytes, large granular lymphocytes, or monocytes. GCs also induced the expression of IL-1-R on some other cell types, including normal human dermal fibroblasts and the human large granular lymphocyte cell line YT. Since cycloheximide and actinomycin D inhibited the induction of IL-1-R by GC, synthesis of both new RNA and protein seems to be required for IL-1-R induction. This study presents the first evidence of upregulation of the receptors for IL-1 by GC, and may account for the reported enhancement of in vitro and in vivo humoral immune responses by GCs.
Fabrication and Properties of Silicon-Based PLZT Thin Films for MFSFET Applications (2004)

Fabrication and properties of lanthanum-modified lead zirconate titanate (PLZT) thin films have been studied for Metal-Ferroelectric-Semiconductor FET (MFSFET) devices. PLZT based MFS capacitors using lead titanate (PT) as seeding layers have been respectively prepared on p-type ⟨111⟩ and n-type ⟨100⟩ silicon wafers directly by a sol-gel method. PLZT films are final annealed at 650°C for 1 min in oxygen ambient using rapid thermal annealing (RTA). The measured memory windows of the MFS capacitors based on p-type silicon wafer are about 2.0 V and 4.2 V under the polarization voltages of ±5 V and ±10 V, and the measured memory windows of the MFS capacitors based on n-type Silicon wafer are about 0.3 V and 1.5 V under the polarization voltages of ±5 V and ±10 V correspondingly. The MFS structures based on p-type silicon wafer can be valuable for MFSFET applications.
Building Blocks for High‐Efficiency Organic Photovoltaics: Interplay of Molecular, Crystal, and Electronic Properties in Post‐Fullerene ITIC Ensembles (2019)

Accurate single-crystal X-ray diffraction data offer a unique opportunity to compare and contrast the atomistic details of bulk heterojunction photovoltaic small-molecule acceptor structure and packing, as well as provide an essential starting point for computational electronic structure and charge transport analysis. Herein, we report diffraction-derived crystal structures and computational analyses on the n-type semiconductors which enable some of the highest efficiency organic solar cells produced to date, 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (ITIC) and seven derivatives (including three new crystal structures: 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-propylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (ITIC-C3), 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(3-hexylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (m-ITIC-C6), and 3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-difluoro)-indanone))-5,5,11,11-tetrakis(4-butylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (ITIC-C4-4F). IDTT acceptors typically pack in a face-to-face fashion with π-π distances ranging from 3.28-3.95 Å. Additionally, edge-to-face packing is observed with S⋯π interactions as short as 3.21-3.24 Å. Moreover, ITIC end group identities and side chain substituents influence the nature and strength of noncovalent interactions (e. g. H-bonding, π-π) and thus correlate with the observed packing motif, electronic structure, and charge transport properties of the crystals. Density functional theory (DFT) calculations reveal relatively large nearest-neighbor intermolecular π-π electronic couplings (5.85-56.8 meV) and correlate the nature of the band structure with the dispersion interactions in the single crystals and core-end group polarization effects. Overall, this combined experimental and theoretical work reveals key insights into crystal engineering strategies for indacenodithienothiophene (IDTT) acceptors, as well as general design rules for high-efficiency post-fullerene small molecule acceptors.
Radiative recombination inp-typeδ-doped layers in GaAs (1999)

Thin Zn-doped GaAs layers embedded in bulk GaAs, grown by metal-organic vapor phase epitaxy, are studied by means of optical spectroscopy. The concentration of Zn acceptors varies between $2\ifmmode\times\else\texttimes\fi{}{10}^{18}/{\mathrm{cm}}^{3}$ and $2\ifmmode\times\else\texttimes\fi{}{10}^{20}/{\mathrm{cm}}^{3}$ in 4 nm doping regions. With increasing doping concentration, an optical radiative transition appears in photoluminescence (PL) spectra below the energy position of the transition between the free electrons and holes bound to acceptors in bulk GaAs. The recombination shows a strong dependence on excitation intensity and temperature. Our results indicate that this emission is related to the transition between spatially separated electrons and holes. The holes are located in a p-type Zn-$\ensuremath{\delta}$-doped region, while the electrons are located in the undoped GaAs region. The magnetic-field dependence of this emission in the PL spectrum indicates that the effective mass of the holes involved in the optical transition is about ${0.2m}_{0}.$ To the best of our knowledge, this is the first time that such recombination in p-type $\ensuremath{\delta}$-doped GaAs is confirmed from optical spectroscopy.
Getting virtually personal (2019)

Have you watched the movie Her? Have you ever wondered or wished to have your own AI companion just like Samantha, who could understand you better than you know about yourself, and could tell you what you really are, whom your best partner may be, and which career path would be best for you? In this talk, I will present a computational framework for building responsible and empathetic Artificial Intelligent (AI) agents who can deeply understand their users as unique individuals and responsibly guide their behavior in both virtual and real world.
Modeling of First Shell Substitution Effects and Preferred Cyclization in Sol−Gel Polymerization (1997)

We compare two approaches in modeling first shell substitution effects (FSSE) coupled with cyclization in acid-catalyzed sol−gel polymerization. First, an approximate, statistically based, kinetic-recursive model (KR) is developed that is computationally inexpensive for investigating trends in the polymerization. Second, an exact Monte-Carlo model (MC) that tracks a finite pool of growing polymer clusters is constructed for comparison to the KR model. The two models agree well prior to gelation when using rate constants typical of sol−gel polymerization. However, near the gel point, discrepancies between the two models arise because of the KR model's inability to account for correlations in the growing structure beyond the site distribution. We show that both FSSE and cyclization cause the polymer's structure distribution to be history dependent. We also show that the inclusion of both FSSE and cyclization in the model is capable of increasing gel conversions above the 0.50 limit of previous exclusive FSSE models. We show that FSSE aids cyclization by increasing the concentrations of oligomers that are candidates for intramolecular reaction and that a strong FSSE with cyclization causes a local maximum to occur in the polydispersity index as a function of conversion. Both models fall short of predicting experimentally observed gel conversions; indicating that, in addition to the small cycles allowed in the present work, cage formation may also be significant.
Multi-Slice Fusion for Sparse-View and Limited-Angle 4D CT\n Reconstruction (2020)

Inverse problems spanning four or more dimensions such as space, time and\nother independent parameters have become increasingly important.\nState-of-the-art 4D reconstruction methods use model based iterative\nreconstruction (MBIR), but depend critically on the quality of the prior\nmodeling. Recently, plug-and-play (PnP) methods have been shown to be an\neffective way to incorporate advanced prior models using state-of-the-art\ndenoising algorithms. However, state-of-the-art denoisers such as BM4D and deep\nconvolutional neural networks (CNNs) are primarily available for 2D or 3D\nimages and extending them to higher dimensions is difficult due to algorithmic\ncomplexity and the increased difficulty of effective training.\n In this paper, we present multi-slice fusion, a novel algorithm for 4D\nreconstruction, based on the fusion of multiple low-dimensional denoisers. Our\napproach uses multi-agent consensus equilibrium (MACE), an extension of\nplug-and-play, as a framework for integrating the multiple lower-dimensional\nmodels. We apply our method to 4D cone-beam X-ray CT reconstruction for non\ndestructive evaluation (NDE) of samples that are dynamically moving during\nacquisition. We implement multi-slice fusion on distributed, heterogeneous\nclusters in order to reconstruct large 4D volumes in reasonable time and\ndemonstrate the inherent parallelizable nature of the algorithm. We present\nsimulated and real experimental results on sparse-view and limited-angle CT\ndata to demonstrate that multi-slice fusion can substantially improve the\nquality of reconstructions relative to traditional methods, while also being\npractical to implement and train.\n
Residues Critical for Retroviral Integrative Recombination in a Region That Is Highly Conserved among Retroviral/Retrotransposon Integrases and Bacterial Insertion Sequence Transposases (1992)

Our comparison of deduced amino acid sequences for retroviral/retrotransposon integrase (IN) proteins of several organisms, including Drosophila melanogaster and Schizosaccharomyces pombe, reveals strong conservation of a constellation of amino acids characterized by two invariant aspartate (D) residues and a glutamate (E) residue, which we refer to as the D,D(35)E region. The same constellation is found in the transposases of a number of bacterial insertion sequences. The conservation of this region suggests that the component residues are involved in DNA recognition, cutting, and joining, since these properties are shared among these proteins of divergent origin. We introduced amino acid substitutions in invariant residues and selected conserved and nonconserved residues throughout the D,D(35)E region of Rous sarcoma virus IN and in human immunodeficiency virus IN and assessed their effect upon the activities of the purified, mutant proteins in vitro. Changes of the invariant and conserved residues typically produce similar impairment of both viral long terminal repeat (LTR) oligonucleotide cleavage referred to as the processing reaction and the subsequent joining of the processed LTR-based oligonucleotides to DNA targets. The severity of the defects depended upon the site and the nature of the amino acid substitution(s). All substitutions of the invariant acidic D and E residues in both Rous sarcoma virus and human immunodeficiency virus IN dramatically reduced LTR oligonucleotide processing and joining to a few percent or less of wild type, suggesting that they are essential components of the active site for both reactions.(ABSTRACT TRUNCATED AT 250 WORDS)
Scanning Electron Microscopy Methods for Analysis of Polymer Nanocomposites (2006)

Extended abstract of a paper presented at Microscopy and Microanalysis 2006 in Chicago, Illinois, USA, July 30 – August 3, 2005