gebhart/patrepeval huggingface dataset:
Poly( N ‐isopropylacrylamide) grafting on aluminium to actively switch its surface drag in water (2010)

Abstract Active control of flow over object surfaces achieved by means of mechanical and/or electrical methods has recently been studied. However, there has been no report on actively switching the surface drag of an object by chemical modification of the object's surface. Poly( N ‐isopropylacrylamide) (PNIPA) was grafted onto the surface of an aluminium (Al) substrate via (A) surface‐initiated atom transfer radical polymerization and (B) radical polymerization with an azo‐group surface initiator. The grafting density was 0.19 and 0.15 chains nm −2 , respectively. The water contact angle of the PNIPA‐grafted Al surface reversibly changed between 55° and 82° for (A) and between 42° and 65° for (B) at temperatures of 25 and 40 °C, which was ascribed to the temperature‐responsive, hydrophilic–hydrophobic switching of the grafted PNIPA surface. The PNIPA grafting was applied on the surface of an ogive‐shaped Al model. The normalized dropping speed of the model in water increased 1.1 times at 42 °C in comparison to that at 22 °C. Switching of the surface drag of PNIPA‐grafted Al in water was demonstrated on the basis of the hydrophilicity and hydrophobicity of the grafted Al surface, the switching occurring with a change in temperature. Copyright © 2010 Society of Chemical Industry
The SARS-CoV-2 Spike variant D614G favors an open conformational state (2021)

The COVID-19 (coronavirus disease 2019) pandemic underwent a rapid transition with the emergence of a dominant viral variant (from the "D-form" to the "G-form") that carried an amino acid substitution D614G in its "Spike" protein. The G-form is more infectious in vitro and is associated with increased viral loads in the upper airways. To gain insight into the molecular-level underpinnings of these characteristics, we used microsecond all-atom simulations. We show that changes in the protein energetics favor a higher population of infection-capable states in the G-form through release of asymmetry present in the D-form inter-protomer interactions. Thus, the increased infectivity of the G-form is likely due to a higher rate of profitable binding encounters with the host receptor. It is also predicted to be more neutralization sensitive owing to enhanced exposure of the receptor binding domain, a key target region for neutralizing antibodies. These results are critical for vaccine design.
Prevalence of Corporeal Venous Leakage in Impotent Men (1988)

To provide insight into the prevalence of corporeal venous leakages as a factor in impotence, 44 consecutive impotent men who failed to achieve an erection after intracorporeal papaverine injection underwent dynamic infusion cavernosometry and cavernosography. If venous leakage is defined as either a failure to increase intracorporeal pressure greater than the systolic blood pressure or a rapid decrease in intracorporeal pressure after cessation of saline infusion during cavernosometry, 30 of the 44 men (68 per cent) fall into this category. If cavernosography (43 men) is used to define the presence of a venous leakage in these impotent patients 37 (86 per cent) fall into this category. These data support recent observations that there is a high incidence of venous leakage as defined by these criteria in men with organic impotence. The significance of these findings can be determined only once a similar study in age-matched potent men is performed.
Smartphone-based multispectral imaging: system development and potential for mobile skin diagnosis (2016)

We investigate the potential of mobile smartphone-based multispectral imaging for the quantitative diagnosis and management of skin lesions. Recently, various mobile devices such as a smartphone have emerged as healthcare tools. They have been applied for the early diagnosis of nonmalignant and malignant skin diseases. Particularly, when they are combined with an advanced optical imaging technique such as multispectral imaging and analysis, it would be beneficial for the early diagnosis of such skin diseases and for further quantitative prognosis monitoring after treatment at home. Thus, we demonstrate here the development of a smartphone-based multispectral imaging system with high portability and its potential for mobile skin diagnosis. The results suggest that smartphone-based multispectral imaging and analysis has great potential as a healthcare tool for quantitative mobile skin diagnosis.
Primary Current Distribution and Resistance of a Slotted‐Electrode Cell (1984)

The primary current distribution and the resistance of a cell containing a slotted electrode were calculated using numerical methods coupled with the Schwarz‐Christoffel transformation. Results are presented and compared to asymptotic solutions. An approximate analytic expression for the cell resistance is presented.
Lignin oxidation mechanisms under oxygen delignification conditions. Part 3. Reaction pathways and modeling (2011)

Abstract A detailed kinetic model for the lignin oxidation chemistry is presented. It is based mainly on the mechanisms and kinetics presented in the literature. Parameters that could not be found in the literature were regressed against the experimental data obtained from oxidation experiments with softwood kraft lignin. In addition to the detailed model for the chemistry, acid-base equilibrium reactions and gas-liquid mass transfer were modeled. Most of the experimental observations could be reproduced with the developed model. The reasons behind the behavior of guaiacyl and condensed phenols are discussed. The reaction routes affecting lignin solubilization and chemical consumption are presented. Model-ing of acid-base equilibria proved to be important because acid-base pairs of reactants react differently. Carbon dioxide buffers the pH and in this way affects the chemical reactions through the pH. A similar model could also be developed for other lignin treatments; for example, waste water purification or chemicals production in new biorefinery concepts. The developed reaction scheme will be used as a part of oxygen delignification model.
Validation of an active surveillance threshold for the CCP score in conservatively managed men with localized prostate cancer. (2015)

e16040 Background: Active surveillance (AS) is an increasingly popular treatment modality for men with localized prostate cancer. However, better risk stratification is needed to appropriately select men for AS. The cell cycle progression (CCP) score has proven to be a robust predictor of prostate cancer outcomes in various clinical settings, including conservatively managed cohorts. Here, we present the validation of an AS threshold for a predefined score (CCR score) that combines the CCP score with CAPRA for predicting prostate cancer mortality (PCM) in conservatively managed patients. Methods: We determined the CCR score distribution in 505 men who were tested in a clinical laboratory and, based on their clinical characteristics, might typically be considered for AS. Specifically, the training cohort consisted of men who had Gleason scores ≤ 3+4; PSA < 10 ng/ml; < 25% cores positive; and clinical stage ≤ T2a. A threshold CCR score of 0.80 was selected such that 90% of the men in the training cohort had scores below the threshold. Threshold performance was then evaluated in two cohorts of conservatively managed men (TAPG1 [N = 180] and TAPG2 [N = 585]). We also evaluated the threshold in a commercially tested cohort (N = 4218). Results: The CCR threshold was validated with the TAPG2 cohort. In this cohort, 10.3% of patients were below the threshold. There were no deaths in patients below the threshold and the Cox proportional hazard estimate of 10−year PCM associated with the CCR threshold was 3.3%. In the combined cohort (TAPG1 and TAPG2), the 10−year risk of PCM associated at the threshold was 3.2% and there were no observed prostate cancer deaths in patients below the threshold. In the commercially tested cohort, 36% of patients qualified for AS on clinical parameters alone. However, when the CCP score was included, 60% of patients had CCR scores below the AS threshold. Conclusions: The threshold presented here was derived from the ‘typical’ risk of PSM for AS patients and can be used to guide patient selection for AS based on an integrated view of risk assessment. Applying the threshold to men recently diagnosed with prostate cancer substantially enlarged the group who might be considered for AS.
Effect of diet on hunting performance of English pointers. (2001)

A study was conducted to evaluate the influence of diet on hunting performance of English pointers during the quail-hunting season in southwest Georgia. Twenty-three trained dogs were assigned to two commercially available diets (i.e., Diet A = Eukanuba Premium Performance Formula, The Iams Company, Lewisburg, OH; Diet B = Diamond Premium Adult Dog Food, Diamond Pet Foods, Meta, MO). Results showed that dogs fed Diet A maintained or gained weight and body condition throughout the hunting season while dogs fed Diet B lost body weight and body condition (P < .05). Dogs fed Diet A demonstrated superior hunting performance (P < .05) compared with those fed Diet B based on total finds per hunt and on the number of birds located per hour of hunting. All blood variables were within normal ranges for adult healthy dogs throughout the season. These results imply that diet can affect the overall performance of hunting dogs and should provide useful information to trainers, handlers, and clinicians who are concerned with promoting the best performance and health in hunting dogs and other canine athletes.
Abstract 475: Role of microRNA-34a in regulating oncoprotein STMN1 (2017)

Abstract MicroRNAs, as negative regulators of gene expression, play a major role in cellular homeostasis. Downregulation of miRs is common in cancer which results in upregulation of multiple oncogenes in cancer. Here we show that stathmin (STMN1), which is over-expressed and oncogenic in wide variety of cancers, is regulated by microRNA-34 in prostate cancer. Earlier studies suggest that stathmin is involved in vital cellular processes such as cell proliferation, motility and metastasis. In the present study, we show elevated expression of stathmin in metastatic prostate cancer. Functionally, knockdown of stathmin in prostate cancer cells resulted in reduced cell proliferation and invasion in vitro, and tumor growth and metastasis in vivo. We also show that tumor suppressor microRNA miR-34a targets stathmin and mir-34 is regulated by transcriptional corepressor CtBP1 (C-Terminal Binding Protein 1). Further, Microarray analyses using stathmin modulated prostate cancer cell line RNA revealed multiple molecular alterations which may play a critical role in STMN1-mediated oncogenic activity. Thus, our study suggests that CtBP1-regulated miR-34a modulates stathmin expression in prostate cancer. This study therefore demonstrates functional role of CtBP1-miR-34a-Stathmin axis in prostate cancer progression. Citation Format: Balabhadrapatruni V.S.K. Chakravarthi, Rohit Mehra, Rui Wang, Darshan Shimoga Chandrashekar, Sai Akshaya Hodigere Balasubramanya, Irfan A. Asangani, Robert J. Lonigro, Arul M. Chinnaiyan, Sooryanarayana Varambally. Role of microRNA-34a in regulating oncoprotein STMN1 [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2017; 2017 Apr 1-5; Washington, DC. Philadelphia (PA): AACR; Cancer Res 2017;77(13 Suppl):Abstract nr 475. doi:10.1158/1538-7445.AM2017-475
Structure–activity correlations of variant forms of the B pentamer ofEscherichia colitype II heat-labile enterotoxin LT-IIb with Toll-like receptor 2 binding (2012)

The pentameric B subunit of the type II heat-labile enterotoxin of Escherichia coli (LT-IIb-B(5)) is a potent signaling molecule capable of modulating innate immune responses. It has previously been shown that LT-IIb-B(5), but not the LT-IIb-B(5) Ser74Asp variant [LT-IIb-B(5)(S74D)], activates Toll-like receptor (TLR2) signaling in macrophages. Consistent with this, the LT-IIb-B(5)(S74D) variant failed to bind TLR2, in contrast to LT-IIb-B(5) and the LT-IIb-B(5) Thr13Ile [LT-IIb-B(5)(T13I)] and LT-IIb-B(5) Ser74Ala [LT-IIb-B(5)(S74A)] variants, which displayed the highest binding activity to TLR2. Crystal structures of the Ser74Asp, Ser74Ala and Thr13Ile variants of LT-IIb-B(5) have been determined to 1.90, 1.40 and 1.90 Å resolution, respectively. The structural data for the Ser74Asp variant reveal that the carboxylate side chain points into the pore, thereby reducing the pore size compared with that of the wild-type or the Ser74Ala variant B pentamer. On the basis of these crystallographic data, the reduced TLR2-binding affinity of the LT-IIb-B(5)(S74D) variant may be the result of the pore of the pentamer being closed. On the other hand, the explanation for the enhanced TLR2-binding activity of the LT-IIb-B(5)(S74A) variant is more complex as its activity is greater than that of the wild-type B pentamer, which also has an open pore as the Ser74 side chain points away from the pore opening. Data for the LT-IIb-B(5)(T13I) variant show that four of the five variant side chains point to the outside surface of the pentamer and one residue points inside. These data are consistent with the lack of binding of the LT-IIb-B(5)(T13I) variant to GD1a ganglioside.
New Synthetic Methodologies (2003)

Abstract For Abstract see ChemInform Abstract in Full Text.
Data: FTIR spectra for particles in subsampled water samples from Southampton Water and analysed for microplastic content' (2021)

FTIR spectra for particles identified in subsampled water samples taken in Southampton Water and analysed for microplastic content. Data used in Chapter 3, Seasonal Variation of Microplastics in Southampton Water; from Stead (2021), Fate and Transport of Microplastics within Estuaries (PhD thesis).
Biosynthetic Studies of the Notoamides: Isotopic Synthesis of Stephacidin A and Incorporation into Notoamide B and Sclerotiamide (2011)

The advanced natural product stephacidin A is proposed as a biosynthetic precursor to notoamide B in various Aspergillus species. Doubly (13)C-labeled racemic stephacidin A was synthesized and fed to cultures of the terrestrial-derived fungus, Aspergillus versicolor NRRL 35600, and the marine-derived fungus, Aspergillus sp. MF297-2. Analysis of the metabolites revealed enantiospecific incorporation of intact (-)-stephacidin A into (+)-notoamide B in Aspergillus versicolor and (+)-stephacidin A into (-)-notoamide B in Aspergillus sp. MF297-2. (13)C-Labeled sclerotiamide was also isolated from both fungal cultures.
Effect of feedstock impurities on activity and selectivity of V-Mo-Nb-Te-Ox catalyst in ethane oxidative dehydrogenation (2017)

Abstract The effect of CH
Bayesian Q-learning With Imperfect Expert Demonstrations (2022)

Guided exploration with expert demonstrations improves data efficiency for reinforcement learning, but current algorithms often overuse expert information. We propose a novel algorithm to speed up Q-learning with the help of a limited amount of imperfect expert demonstrations. The algorithm avoids excessive reliance on expert data by relaxing the optimal expert assumption and gradually reducing the usage of uninformative expert data. Experimentally, we evaluate our approach on a sparse-reward chain environment and six more complicated Atari games with delayed rewards. With the proposed methods, we can achieve better results than Deep Q-learning from Demonstrations (Hester et al., 2017) in most environments.
Supplementary Figure 1 from Phase I Clinical Trial of Mixed Bacterial Vaccine (Coley's Toxins) in Patients with NY-ESO-1 Expressing Cancers: Immunological Effects and Clinical Activity (2023)

&lt;p&gt;PDF file, 82K, Trial design schema.&lt;/p&gt;
Joint antenna and propagation model parameter estimation using RSS measurements (2015)

In this paper, a semi-parametric model for RSS measurements is introduced that can be used to predict coverage in cellular radio networks. The model is composed of an empirical log-distance model and a deterministic antenna gain model that accounts for possible non-uniform base station antenna radiation. A least-squares estimator is proposed to jointly estimate the path loss and antenna gain model parameters. Simulation as well as experimental results verify the efficacy of this approach. The method can provide improved accuracy compared to conventional path loss based estimation methods.
Effect of Complex Ion Beam/Plasma Treatment of the Surface Functionalization and Crystal Phase Transition of Piezoelectric Poly(vinylidene fluoride) (2008)

We scrutinized the effect of complex ion beam and plasma treatment on the surface functionalization and crystal phase change of poly(vinylidene fluoride) films. The stretched and poled PVDF films were used for this investigation. Ion-beam and plasma treatment were employed for the surface modification of PVDF. The surface treatments induced some changes of chemical composition as well as changed the morphology of PVDF surface. It had a large influence on the interfacial adhesion with thermally deposited metal electrodes on the PVDF. Surface modifications such as ion beam irradiation and plasma treatment played a pivotal role in the determination of interfacial strength between PVDF and electrodes as well as the change of crystal structure in electromechanical PVDF film. While the amount of β-phase crystal in PVDF decreased with treatment time, the interfacial adhesion increased with the modification time. In this research, we were able to find optimum treatment conditions for enhancing the adhesion and retaining piezoelectric structure.
Improvement in sampling and modulation of multiplexing with temporal shuttering of adaptable apertures in a brain-dedicated multi-pinhole SPECT system (2020)

We are developing a multi-detector pinhole-based stationary brain-dedicated SPECT system: AdaptiSPECT-C. In this work, we introduced a new design prototype with multiple adaptable pinhole apertures for each detector to modulate the multiplexing by employing temporal shuttering of apertures. Temporal shuttering of apertures over the scan time provides the AdaptiSPECT-C with the capability of multiple-frame acquisition. We investigated, through analytic simulation, the impact of projection multiplexing on image quality using several digital phantoms and a customized anthropomorphic phantom emulating brain perfusion clinical distribution. The 105 pinholes in the collimator of the system were categorized into central, axial, and lateral apertures. We generated, through simulation, collimators of different multiplexing levels. Several data acquisition schemes were also created by changing the imaging time share of the acquisition frames. Sensitivity increased by 35% compared to the single-pinhole-per-detector base configuration of the AdaptiSPECT-C when using the central, axial, and lateral apertures with equal acquisition time shares within a triple-frame scheme with a high multiplexing scenario. Axial and angular sampling of the base configuration was enhanced by adding the axial and lateral apertures. We showed that the temporal shuttering of apertures can be exploited, trading the sensitivity, to modulate the multiplexing and to acquire a set of non-multiplexed non-truncated projections. Our results suggested that reconstruction benefited from utilizing both non-multiplexed projections and projections with modulated multiplexing resulting in a noticeably reduction in the multiplexing-induced image artefacts. Contrast recovery factor improved by 20% (9%) compared to the base configuration for a Defrise (hot-rod) phantom study when the central and axial (lateral) apertures with equal time shares were combined. The results revealed that, as an overall trend at each simulated multiplexing level, lowest normalized root-mean-square errors for the brain gray-matter regions were achieved with the combined usage of the central apertures and axial/lateral apertures.
Coordinate changes in neuronal phenotype and surface antigen expression in human neuroblastoma cell variants. (1987)

Human neuroblastoma cells growing in culture offer a unique opportunity to study proliferating human cells with a neuronal phenotype. We have previously identified several neuroblastoma cell lines which show spontaneous conversion (N/S interconversion) between two morphologically distinct cell types: neuroblastic (N-type) cells and variant, substrate-adherent (S-type) cells resembling cultured glial or mesenchymal cells. In the present study, we have used molecular markers to confirm the neuronal phenotype of N-type cells and to demonstrate that S-type cells have a nonneuronal phenotype. Furthermore, we have used these markers, including a series of cell surface differentiation antigens, to compare S-type neuroblastoma cells with a wide range of cultured epithelial, mesenchymal, and neuroectodermal cells. The results suggest that N/S interconversion represents an ordered transition between two neuroectodermal differentiation programs rather than random phenotypic instability of cultured cells; S-type variant cells show a molecular phenotype most closely resembling the phenotype of cultured ectomesenchymal cells; and in vitro variant formation of human neuroblastomas may provide an experimental model for the observed in vivo transition of some malignant neuroblastomas into benign ganglioneuromas.
Photonic crystal fiber amplifiers for high power ultrafast fiber lasers (2013)

Abstract In recent years, ultrafast laser systems using large‐mode‐area fiber amplifiers delivering several hundreds of watts of average power has attracted significant academic and industrial interest. These amplifiers can generate hundreds of kilowatts to megawatts of peak power using direct amplification and multi‐gigawatts of peak power using pulse stretching techniques. These amplifiers are enabled by advancements in Photonic Crystal Fiber (PCF) design and manufacturing technology. In this paper, we will give a short overview of state‐of‐the‐art PCF amplifiers and describe the performance in ultrafast ps laser systems.
Delta doping (1993)

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One-Phase Synthesis of Thiol-Functionalized Platinum Nanoparticles (1999)

A new one-phase synthesis of thiol-functionalized platinum nanoparticles is presented. Using tetrahydrofuran as the solvent and lithium triethylborohydride (“superhydride”) as the reducing agent, platinum nanoparticles functionalized by octadecanethiol were prepared. Fourier transform infrared spectroscopy (FTIR), tunneling electron microscopy (TEM), and powder X-ray diffraction were used to analyze the nanoparticles. The results show that the nanoparticles are single crystals with fcc structure, that their average size is ∼3 nm, and that the octadecyl chains are close packed in a solid-like assembly.
Minimizing Energy Consumption of MPI Programs in Realistic Environment (2015)

Dynamic voltage and frequency scaling proves to be an efficient way of reducing energy consumption of servers. Energy savings are typically achieved by setting a well-chosen frequency during some program phases. However, determining suitable program phases and their associated optimal frequencies is a complex problem. Moreover, hardware is constrained by non negligible frequency transition latencies. Thus, various heuristics were proposed to determine and apply frequencies, but evaluating their efficiency remains an issue. In this paper, we translate the energy minimization problem into a mixed integer program that specifically models most current hardware limitations. The problem solution then estimates the minimal energy consumption and the associated frequency schedule. The paper provides two different formulations and a discussion on the feasibility of each of them on realistic applications.