gebhart/patrepeval huggingface dataset:
Metamaterial absorber for the near-IR with curvilinear geometry based on Bezi&#x00E9;r surfaces (2013)

Infrared (IR) absorbers have been previously studied for use in narrow-band and multi-band applications. Here, we investigate a novel absorber structure based on an electromagnetic band-gap (EBG) metasurface with a curvilinear metallic screen. CMA-ES was employed to determine the coefficients used in the screen generation in order to successfully design an absorber for the near-IR.
Compressive failure modes and energy absorption in additively manufactured double gyroid lattices (2017)

Lattice structures are excellent candidates for lightweight, energy absorbing applications such as personal protective equipment. In this paper we explore several important aspects of lattice design and production by metal additive manufacturing, including the choice of cell size and the application of a post-manufacture heat treatment. Key results include the characterisation of several failure modes in double gyroid lattices made of Al-Si10-Mg, the elimination of brittle fracture and low strain failure by the application of a heat treatment, and the calculation of specific energy absorption under compressive deformation (16x106 J m-3 up to 50% strain). These results demonstrate the suitability of double gyroid lattices for energy absorbing applications, and will enable the design and manufacture of more efficient lightweight parts in the future.
Kisspeptin Restores Pulsatile LH Secretion in Patients with Neurokinin B Signaling Deficiencies: Physiological, Pathophysiological and Therapeutic Implications (2012)

Pulsatile gonadotropin-releasing hormone (GnRH) is crucial to normal reproductive function and abnormalities in pulse frequency give rise to reproductive dysfunction. Kisspeptin and neurokinin B (NKB), neuropeptides secreted by the same neuronal population in the ventral hypothalamus, have emerged recently as critical central regulators of GnRH and thus gonadotropin secretion. Patients with mutations resulting in loss of signaling by either of these neuroendocrine peptides fail to advance through puberty but the mechanisms mediating this remain unresolved. We report here that continuous kisspeptin infusion restores gonadotropin pulsatility in patients with loss-of-function mutations in NKB (TAC3) or its receptor (TAC3R), indicating that kisspeptin on its own is sufficient to stimulate pulsatile GnRH secretion. Moreover, our findings suggest that NKB action is proximal to kisspeptin in the reproductive neuroendocrine cascade regulating GnRH secretion, and may act as an autocrine modulator of kisspeptin secretion. The ability of continuous kisspeptin infusion to induce pulsatile gonadotropin secretion further indicates that GnRH neurons are able to set up pulsatile secretion in the absence of pulsatile exogenous kisspeptin.
Gulliver Prototype Development and Deployment (2017)

The current objective of our project is to develop a technology, coined Gulliver, aimed at enhancing the study of microorganisms. This device will expand upon established in situ technology to cultivate and isolate microorganisms in one step. Our long term goal is for this device is to not only isolate and culture in one step, but also to eventually equip our device with nanosensors to allow in situ monitoring of bacterial growth and activity, and transmit this data directly to the researcher, allowing an unprecedented view into the microbial world. The Gulliver design consists of a flat mounting device with a 4 mm hole in the center to act as the growth chamber. On one side of the device, a polycarbonate membrane with 0.03μm pores is attached, allowing for diffusion of nutrients and growth signals from the environment. On the reverse side, the same membrane is affixed, however it contains an approximately 1 μm entry aperture, to allow entry of a single microbial cell into the growth chamber. Once the microorganism enters the pore, the entrance is blocked. As the organism continues to grow and divide, it is provided with nutrients from the environment through the diffusion pores, and a pure colony will develop inside the device. After a period of in situ incubation, the device is removed from the environment, the growing biomass retrieved from the growth chamber, “domesticated” and grown on a petri dish for further study. Currently, testing is underway using fluorescently labeled bacterial species to prove the concept of autonomous cultivation and isolation in on step. Devices will be incubated in mixed cultures of fluorescently labeled bacteria, and growth will be collected from each chamber. Fluorescence will be used to ensure a pure culture is obtained. Thus far, we have demonstrated an ability to reliably produce 1 μm pores in polycarbonate membrane. Furthermore, we have designed a prototype of the device consisting of the polycarbonate membrane adhered to a silicone or PTFE base. The prototype is capable of withstanding incubation in an aqueous environment, without material degradation, for up to 3 months, providing an extended period of time for environmental study of microorganisms. The overall goal of this project is to gain a fuller picture of the microbial world, allowing researchers to access novel microorganisms, study the important environmental processes they perform, and utilize the valuable bioactive compounds they produce. Support or Funding Information This particular segment of the project is supported by the NSF, the Alpha Fund Grant, and an Northeastern Undergraduate Research and Creative Endeavors Award.
Growth of AlN by the Chemical Vapor Reaction Process (2005)

AlN was grown by a chemical vapor reaction process with metallic Al and ammonium chloride as source precursors. A detailed parameter study was performed for direct growth on sapphire substrates. Specular films were obtained with optimum ammonium chloride supply for a given temperature. Due to lack of optimization of initial growth conditions, these specular films on sapphire contained polycrystalline inclusions. These inclusions were successfully avoided by regrowing on metalorganic chemical vapor deposition (MOCVD)-grown AlN templates. Inversion domains which existed in the MOCVD templates were eliminated at the interface of regrowth although the density of edge-type dislocations was not reduced, and remained at 9.3×10 9 cm -2 . Growth on grooved sapphire resulted in AlN domains with their c -axis perpendicular to the sidewalls of the grooves. The top free surface which was inclined by about 20° to the basal plane of the sapphire substrate was m -plane. The top portion of this domain showed reduced dislocation density, as low as 8×10 8 cm -2 .
Spectroscopic, Crystallographic, and Electrochemical Study of Different Manganese(II)‐Substituted Keggin‐Type Phosphomolybdates (2022)

Adjusting the RedOx activity of polyoxometalate catalysts is a key challenge for the catalysis of selective oxidation reactions. For this purpose, the possibility of influencing the RedOx potential by the introduction of an additional RedOx-active element was investigated. Thereby, Keggin-type polyoxometalates (POMs) with up to three different elements in the metal framework were created. An advanced and reproducible synthetic procedure to incorporate Mn<sup>II</sup> and additionally V<sup>V</sup> into Keggin-type heteropolyacids alongside comprehensive characterization of the new molecules is presented. The success of our syntheses was confirmed by vibrational spectroscopy (IR and Raman) and elemental analysis. Furthermore, the new compounds were analyzed by NMR spectroscopy to investigate the characteristics of the POMs in solution. The structures of successfully crystalized compounds were determined by single-crystal X-ray diffraction. Moreover, all synthesized compounds were characterized using UV/Vis spectroscopy and electrochemical analysis to get further insights into the electronic transfer processes and redox potentials.
Identification of distinct prognostic subgroups in low- and intermediate-1–risk myelodysplastic syndromes by flow cytometry (2007)

The World Health Organization (WHO) classification contributes to refined classification and prognostication of myelodysplastic syndromes (MDSs). Flow cytometry might add significantly to diagnostic and prognostic criteria. Our analysis of bone marrow samples from 50 patients with MDS showed aberrant expression of differentiation antigens in the myelomonocytic lineage. This also accounted for refractory anemia (RA) with or without ringed sideroblasts (RS), indicating multilineage dysplasia. In 38% of patients, CD34(+) myeloid blasts expressed CD5, CD7, or CD56. Flow cytometry data were translated into a numerical MDS flow-score. Flow-scores increased significantly from RA with or without RS, refractory cytopenia with multilineage dysplasia (RCMD) with or without RS up to refractory anemia with excess of blasts-1 (RAEB-1) and RAEB-2. No significant differences were observed between WHO cytogenetic subgroups. Flow-scores were highly heterogeneous within International Prognostic Scoring System (IPSS) subgroups. Patients in progression to advanced MDS or acute myeloid leukemia had a significantly higher flow-score compared with non-transfusion-dependent patients. In 60% of patients with transfusion dependency or progressive disease, myeloid blasts expressed CD7 or CD56, in contrast to only 9% of non-transfusion-dependent patients. Moreover, all patients with pure RA with or without RS with aberrant myeloid blasts showed an adverse clinical course. In conclusion, flow cytometry in MDS identified aberrancies in the myelomonocytic lineage not otherwise determined by cytomorphology. In addition, flow cytometry identified patients at risk for transfusion dependency and/or progressive disease independent of known risk groups, which might have impact on treatment decisions and the prognostic scoring system in the near future.
Nickel-electrode-confined {Ru(bipyrazine)3[Fe(CN)5]n}2-3n: an inorganic structural matrix yielding photoinduced multinuclear charge-transfer reactivity (1990)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTNickel-electrode-confined {Ru(bipyrazine)3[Fe(CN)5]n}2-3n: an inorganic structural matrix yielding photoinduced multinuclear charge-transfer reactivityCarmela Hidalgo-Luangdilok and Andrew B. BocarslyCite this: Inorg. Chem. 1990, 29, 16, 2894–2900Publication Date (Print):August 1, 1990Publication History Published online1 May 2002Published inissue 1 August 1990https://doi.org/10.1021/ic00341a008RIGHTS & PERMISSIONSArticle Views79Altmetric-Citations15LEARN 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 InReddit PDF (793 KB) Get e-Alerts Get e-Alerts
Practical Immuno-PET Radiotracer Design Considerations for Human Immune Checkpoint Imaging (2016)

Immune checkpoint blockade has emerged as a promising cancer treatment paradigm. Unfortunately, there are still a large number of patients and malignancies that do not respond to therapy. A major barrier to validating biomarkers for the prediction and monitoring of responders to clinical checkpoint blockade has been the lack of imaging tools to accurately assess dynamic immune checkpoint expression. Here, we sought to optimize noninvasive immuno-PET imaging of human programmed death-ligand 1 (PD-L1) expression, in a preclinical model, using a small high-affinity engineered protein scaffold (HAC-PD1). Six HAC-PD1 radiotracer variants were developed and used in preclinical imaging and biodistribution studies to assess their ability to detect human PD-L1 expression in vivo. Radiotracer design modifications included chelate, glycosylation, and radiometal. HACA-PD1 was adopted as the naming convention for aglycosylated tracer variants. NOD scid γ-(NSG) mice were inoculated with subcutaneous tumors engineered to either be constitutively positive (CT26 hPD-L1) or be negative (ΔmPD-L1 CT26) for human PD-L1 expression. When the tumors had grown to an average size of 1 cm in diameter, mice were injected with 0.75-2.25 MBq (∼10 μg) of an engineered radiotracer variant and imaged. At 1 h after injection, organs were harvested for biodistribution. Of the practical immuno-PET tracer modifications considered, glycosylation was the most prominent design factor affecting tracer uptake, specificity, and clearance. In imaging studies, aglycosylated <sup>64</sup>Cu-NOTA-HACA-PD1 most accurately visualized human PD-L1 expression in vivo. We reasoned that because of the scaffold's small size (14 kDa), its pharmacokinetics may be suitable for labeling with the short-lived and widely clinically available radiometal <sup>68</sup>Ga. At 1 h after injection, <sup>68</sup>Ga-NOTA-HACA-PD1 and <sup>68</sup>Ga-DOTA-HACA-PD1 exhibited promising target-to-background ratios in ex vivo biodistribution studies (12.3 and 15.2 tumor-to-muscle ratios, respectively). Notably, all HAC-PD1 radiotracer variants enabled much earlier detection of human PD-L1 expression (1 h after injection) than previously reported radiolabeled antibodies (>24 h after injection). This work provides a template for assessing immuno-PET tracer design parameters and supports the translation of small engineered protein radiotracers for imaging human immune checkpoints.
Molecular markers of sperm quality (2012)

Light microscopic semen evaluation provides useful information about a given sperm sample, but due to its subjective nature has limited prognostic value for the reproductive performance of males or the outcome of assisted fertilization. Cryptic sperm abnormalities (occurring at the molecular level) are not easily detectable by light microscopy, but can be revealed by an array of biomarkers. The latter include fluorescent markers of acrosomal status, fluorochromes detecting altered sperm chromatin or DNA integrity, vital dyes revealing sperm mitochondrial activity, probes detecting apoptotic events, and antibodies detecting proteins that are either up- or down-regulated in defective spermatozoa. Many of the above biomarkers are best tested by flow cytometry, permitting rapid, automated, high throughput, objective measurement of the relative abundance of these biomarkers in semen. This review summarizes a strategy for the identification of novel male fertility/sperm quality biomarkers based on proteomic, biochemical and immunocytochemical analyses of defective spermatozoa. This approach identifies proteins or ligands uniquely associated with defective spermatozoa, regardless of whether they carry gross morphological defects or subtle, but critical hidden defects (e.g. DNA strand breaks) not detected with conventional, light microscopic analysis. Such markers, including ubiquitin, sperm thioredoxin SPTRX3/TXNDC8, 15LOX, and Lewis(y)-terminated N-glycans, are associated with poor semen quality and reduced fertility, warranting a designation of "negative" markers of fertility. The significance of sperm cytoplasmic droplet, a structure that accumulates several of the discussed biomarker proteins, is also discussed with regard to sperm quality and fertility.
2P041 Piezoelectric effect in a protein and its involvement in allosteric regulation(01B. Protein: Structure & Function,Poster) (2013)

Although conformational fluctuations of a protein among different states have been recognized to be important for protein function, such fluctuations may trigger a pathogenic conversion of protein conformations. Aggregation of a nuclear protein TDP-43 in abnormal cytoplasmic inclusions in motor neurons is a pathological signature of sporadic ALS. Here, we demonstrate that pressure perturbation accelerates an irreversible misfolding of RNA recognition motif-1 (RRM1) of TDP-43, which triggers aggregation of TDP-43. NMR spectroscopy revealed structure and dynamic characteristics of the misfolded conformation of RRM1.
In Vivo Visualization of Eye Vasculature Using Super-Resolution Ultrasound Microvessel Imaging (2020)

Our results demonstrate the capability of using super-resolution ultrasound microvessel imaging technique to image the microvasculature of the posterior pole of the eye. This efficient approach can potentially lead to a routinely performed diagnostic procedure in the field of ophthalmology.
MP81-20 NON-INVASIVE, DUAL-LABELING TECHNOLOGY FOR CELL TRACKING IN STEM CELL THERAPY FOR ERECTILE DYSFUNCTION (2018)

CONCLUSIONS: These results suggest that BMSCs modified with PDE5-RNAi treatment can enhance the recovery of erectile function in aged rats.
Ajustando a RFR por Preditores de Discordância, “A RFR Ajustada”: Uma Metodologia Alternativa para Melhorar a Capacidade Diagnóstica dos Índices Coronarianos (2022)

Adjusting the RFR by integrating the information provided by predictors of discordance to obtain the "Adjusted RFR" improved the diagnostic capacity in our population. Further studies are required to evaluate whether clinical-physiological indices improve the diagnostic capacity of RFR or other coronary indices.
A Numerical Investigation of Transonic Axial Compressor Rotor Flow Using a Low-Reynolds-Number k–ε Turbulence Model (1999)

We have developed a computer simulation code for three-dimensional viscous flow in turbomachinery based on the time-averaged compressible Navier–Stokes equations and a low-Reynolds-number k–ε turbulence model. It is described in detail in this paper. The code is used to compute the flow fields for two types of rotor (a transonic fan NASA Rotor 67 and a transonic axial compressor NASA rotor 37), and numerical results are compared to experimental data based on aerodynamic probe and laser anemometer measurements. In the case of Rotor 67, calculated and experimental results are compared under the design speed to validate the code. The calculated results show good agreement with the experimental data, such as the rotor performance map and the spanwise distribution of total pressure, total temperature, and flow angle downstream of the rotor. In the case of Rotor 37, detailed comparisons between the numerical results and the experimental data are made under the design speed condition to assess the overall quality of the numerical solution. Furthermore, comparisons under the part-speed condition are used to investigate a flow field without passage shock. The results are well predicted qualitatively. However, considerable quantitative discrepancies remain in predicting the flow near the tip. In order to assess the predictive capabilities of the developed code, computed flow structures are presented with the experimental data for each rotor and the cause of the discrepancies is discussed.
Chlorolissoclimides: New inhibitors of eukaryotic protein synthesis (2006)

Lissoclimides are cytotoxic compounds produced by shell-less molluscs through chemical secretions to deter predators. Chlorinated lissoclimides were identified as the active component of a marine extract from Pleurobranchus forskalii found during a high-throughput screening campaign to characterize new protein synthesis inhibitors. It was demonstrated that these compounds inhibit protein synthesis in vitro, in extracts prepared from mammalian and plant cells, as well as in vivo against mammalian cells. Our results suggest that they block translation elongation by inhibiting translocation, leading to an accumulation of ribosomes on mRNA. These data provide a rationale for the cytotoxic nature of this class of small molecule natural products.
A bio-barcode assay for on-chip attomolar-sensitivity protein detection (2006)

Functionalized nanoparticles hold great promise in realizing highly sensitive and selective biodetection. We report a single disposable chip which is capable of carrying out a multi-step process that employs nanoparticles--a bio-barcode assay (BCA) for single protein marker detection. To illustrate the capability of the system, we tested for the presence of prostate specific antigen (PSA) in buffer solution and goat serum. Detection was accomplished at PSA concentrations as low as 500 aM. This corresponds to only 300 copies of protein analytes using 1 microL total sample volume. We established that the on-chip BCA for PSA detection offers four orders of magnitude higher sensitivity compared to commercially available ELISA-based PSA tests.
Dispersion of bound electron nonlinear refraction in solids (1991)

A two-hand model is used to calculate the scaling and spectrum of the nondegenerate nonlinear absorption. From this, the bound electronic nonlinear refractive index n/sub 2/ is obtained using a Kramers-Kronig transformation. The authors include the effects of two-photon and Raman transitions and the AC Stark shift (virtual band blocking). The theoretical calculation for n/sub 2/ shows excellent agreement with measured values for a five-order-of-magnitude variation in the modulus of n/sub 2/ in semiconductors and wide-gap optical solids. Beam distortion methods were used to measure n/sub 2/ in semiconductors. The observations result in a comprehensive theory that allows a prediction of n/sub 2/ at wavelengths beneath the band edge, given only the bandgap energy and the linear index of refraction. Some consequences for all-optical switching are discussed, and a wavelength criterion for the observation of switching is derived.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Adsorption of NO on Pd-Exchanged Mordenite: Ab Initio DFT Modeling (2008)

Pd-exchanged mordenite (Pd-MOR) is considered as a promising catalyst for the selective catalytic reduction of nitrogen oxides (NOx) by hydrocarbons. Previously (J. Phys. Chem. C 2007, 111, 6454), we have investigated the structure of the active sites in Pd-MOR (Si/Al = 11) using periodic ab initio density functional calculations. In this Article, we present the results of investigations of NO adsorption in Pd-MOR for a representative set of 16 different active sites. Our results show that the adsorption strength varies considerably with the structure of the active site, that is, the location of the divalent extraframework cation and the coordination of the cation by the charge-compensating Al/Si substitution sites. Adsorption energies for NO range between 1.21 and 2.70 eV. The adsorption energies are highest for cations located at large distances from the Al sites. Strong binding of the adsorbate depends on the availability of empty palladium electronic levels just above the Fermi energy, favoring donation of electron density from the singly occupied antibonding π* molecular orbital of NO into empty d states of palladium. NO is adsorbed in a bent mode, with a Pd−N−O angle of ca. 130°. The calculated N−O stretching frequencies (corrected for anharmonicity) for the adsorption complexes are in very good agreement with the experimental position and width of the infrared adsorption band.