gebhart/patrepeval huggingface dataset:
Forces between nanorods with end-adsorbed chains in a homopolymer melt (2008)

Adsorbed or grafted polymers are often used to provide steric stabilization of colloidal particles. When the particle size approaches the nanoscale, the curvature of the particles becomes relevant. To investigate this effect for the case of cylindrical symmetry, I use a classical fluids density functional theory applied to a coarse-grained model to study the polymer-mediated interactions between two nanorods. The rods are coated with end-adsorbing chains and immersed in a polymer melt of chemically identical, nonadsorbing chains. The force between the nanorods is found to be nonmonotonic, with an attractive well when the two brushes come into contact with each other, followed by a steep repulsion at shorter distances. The attraction is due to the entropic phenomenon of autophobic dewetting, in which there is a surface tension between the brush and the matrix chains. These results are similar to previous results for planar and spherical polymer brushes in melts of the same polymer. The depth of the attractive well increases with matrix chain molecular weight and with the surface coverage. The attraction is very weak when the matrix chain molecular weight is similar to or smaller than the brush molecular weight, but for longer matrix chains the magnitude of the attraction can become large enough to cause aggregation of the nanorods.
Comprehensive Peptide Ion Structure Studies Using Ion Mobility Techniques: Part 3. Relating Solution-Phase to Gas-Phase Structures (2018)

Molecular dynamics (MD) simulations have been utilized to study peptide ion conformer establishment during the electrospray process. An explicit water model is used for nanodroplets containing a model peptide and hydronium ions. Simulations are conducted at 300 K for two different peptide ion charge configurations and for droplets containing varying numbers of hydronium ions. For all conditions, modeling has been performed until production of the gas-phase ions and the resultant conformers have been compared to proposed gas-phase structures. The latter species were obtained from previous studies in which in silico candidate structures were filtered according to ion mobility and hydrogen-deuterium exchange (HDX) reactivity matches. Results from the present study present three key findings namely (1) the evidence from ion production modeling supports previous structure refinement studies based on mobility and HDX reactivity matching, (2) the modeling of the electrospray process is significantly improved by utilizing initial droplets existing below but close to the calculated Rayleigh limit, and (3) peptide ions in the nanodroplets sample significantly different conformers than those in the bulk solution due to altered physicochemical properties of the solvent. Graphical Abstract ᅟ.
Characterization of physicochemical properties of nanomaterials and their immediate environments in high‐throughput screening of nanomaterial biological activity (2013)

Thousands of nanomaterials (NMs) are in commerce and few have toxicity data. To prioritize NMs for toxicity testing, high-throughput screening (HTS) of biological activity may be the only practical and timely approach to provide the necessary information. As in all nanotoxicologic studies, characterization of physicochemical properties of NMs and their immediate environments in HTS is critical to understanding how these properties affect NM bioactivity and to allow extrapolation to NMs not screened. The purpose of the study, the expert-groups-recommended minimal characterization, and NM physicochemical properties likely to affect measured bioactivity all help determine the scope of characterization. A major obstacle in reaping the full benefits of HTS for NMs is the low throughput of NM physicochemical characterization, which may require more sample quantity than HTS assays. Increasing the throughput and speed, and decreasing the amount of NMs needed for characterization are crucial. Finding characterization techniques and biological activity assays compatible with diverse classes of NMs is a challenge and multiple approaches for the same endpoints may be necessary. Use of computational tools and nanoinformatics for organizing and analyzing data are important to fully utilize the power of HTS. Other desired advances include the ability to more fully characterize: pristine NM without prior knowledge of NM physicochemical properties; non-pristine NMs (e.g., after use); NM in not-perfectly-dispersed suspension; and NM in biological samples at exposure-relevant conditions. Through combining HTS and physicochemical characterization results, we will better understand NM bioactivities, prioritize NMs for further testing, and build computational models to predict NM toxicity.
ChemInform Abstract: An Umpolung Approach for the Chemoselective Arylation of Selenocysteine in Unprotected Peptides. (2015)

Abstract A new umpolung strategy for the bioconjugation of selenocysteine in unprotected peptides is reported.
A Case of Neuroendocrine Cell Carcinoma and Poorly Differentiated Adenocarcinoma of the Stomach in Synchronous Multiple Cancer (2006)

患者は74歳の女性で, 貧血の精査にて上部消化管内視鏡を施行したところ胃体～胃体上部に出血性の全周性腫瘍が存在し, 生検で低分化型腺癌と診断された. 手術は胃全摘および脾臓, 胆.合併切除術を行った. 摘出標本では, 腫瘍は胃前壁と後壁の2か所に存在, 後壁の腫瘍は穿通していた. 病理診断において胃前壁の腫瘍は低分化型腺癌, 後壁の腫瘍はneuroendocrinecell carcinoma (以下, NEC) と診断された. NECは非常に予後不良で, 有効な治療法が確立されておらず, 本症例も術後1年10か月で原病死した. NECと低分化型腺癌の同時性多発胃癌の報告は我々の検索するかぎり本邦ではみられなかったことより若干の文献的考察を加え報告する.
Tactile Avatar: Tactile Sensing System Mimicking Human Tactile Cognition (2021)

As a surrogate for human tactile cognition, an artificial tactile perception and cognition system are proposed to produce smooth/soft and rough tactile sensations by its user's tactile feeling; and named this system as "tactile avatar". A piezoelectric tactile sensor is developed to record dynamically various physical information such as pressure, temperature, hardness, sliding velocity, and surface topography. For artificial tactile cognition, the tactile feeling of humans to various tactile materials ranging from smooth/soft to rough are assessed and found variation among participants. Because tactile responses vary among humans, a deep learning structure is designed to allow personalization through training based on individualized histograms of human tactile cognition and recording physical tactile information. The decision error in each avatar system is less than 2% when 42 materials are used to measure the tactile data with 100 trials for each material under 1.2N of contact force with 4cm s<sup>-1</sup> of sliding velocity. As a tactile avatar, the machine categorizes newly experienced materials based on the tactile knowledge obtained from training data. The tactile sensation showed a high correlation with the specific user's tendency. This approach can be applied to electronic devices with tactile emotional exchange capabilities, as well as advanced digital experiences.
Opening up Minds with Argumentative Dialogues (2022)

Recent research on argumentative dialogues has focused on persuading people to take some action, changing their stance on the topic of discussion, or winning debates. In this work, we focus on argumentative dialogues that aim to open up (rather than change) people's minds to help them become more understanding to views that are unfamiliar or in opposition to their own convictions. To this end, we present a dataset of 183 argumentative dialogues about 3 controversial topics: veganism, Brexit and COVID-19 vaccination. The dialogues were collected using the Wizard of Oz approach, where wizards leverage a knowledge-base of arguments to converse with participants. Open-mindedness is measured before and after engaging in the dialogue using a questionnaire from the psychology literature, and success of the dialogue is measured as the change in the participant's stance towards those who hold opinions different to theirs. We evaluate two dialogue models: a Wikipedia-based and an argument-based model. We show that while both models perform closely in terms of opening up minds, the argument-based model is significantly better on other dialogue properties such as engagement and clarity.
Small-Molecule Inhibitors of HIV-1 Protease Dimerization Derived from Cross-Linked Interfacial Peptides (2000)

The minimal structure required to inhibit the dimerization of HIV-1 protease has been determined by removing residues from the N termini of the peptides in 1, a known inhibitor (Ki=220±10 nM) that was obtained by cross-linking the N termini of interfacial peptides of HIV protease, and then replacing the Trp-OH residue with Phe-NH2. Molecular modeling of the resulting structure led to 2, which inhibits HIV-1 protease through a dissociative mechanism and is an ideal starting point for identifying more potent agents. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2000/z14722_s.pdf or from the author. 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.
Structural Control on the Nanomolecular Scale: Self‐Assembly of the Polyoxotungstate Wheel [{β‐Ti2SiW10O39}4] 24‐. (2004)

Abstract For Abstract see ChemInform Abstract in Full Text.
Analysis and design of an AC processing pickup for IPT systems (2009)

This paper presents a new type of Inductive Power Transfer (IPT) pickup which directly regulates power in AC form, hence producing a controllable high-frequency AC source. The pickup has significant advantages in terms of increased system efficiency, reduced pickup size and low production cost compared to traditional pickups that also produce a controlled AC output using complex AC-DC-AC conversion circuits. The new AC processing pickup employs switches operating under soft switching conditions to clamp parts of the resonant voltage across a parallel tuned LC resonant tank to achieve power regulation over a wide load range. A design procedure is proposed and verified using a 550 W lighting system. An efficiency of 96% is obtained when delivering 550 W to multiple resistive light bulbs.
ChemInform Abstract: Synthesis and Properties of Halohydroxyacetones and Halomethylglyoxals. (1982)

Abstract Halogen‐brenztraubenlsäuren (I) werden in die Ketal‐ester (II) umgewandelt.
Lowered Temperature MBE Regrowth of LED Structures on High Density GaAs Circuits Fabricated through MOSIS (1993)

We present results on GaAs/AlGaAs LEDs monolithically integrated by Molecular Beam Epitaxy (MBE) regrowth with GaAs MESFET circuits fabricated through the MOSIS service.
The Computing World is Ready for Brain Inspiration - But what will be the Biggest Impact? (2018)

Abstract not provided.
Density fluctuations in many-body systems (1998)

The characterization of density fluctuations in systems of interacting particles is of fundamental importance in the physical sciences. We present a formalism for studying local density fluctuations in two special subvolumes (centered around either a reference particle or some arbitrary point in the system) termed particle and void regions, respectively. We present formal expressions for the probability, as well as the moments, associated with finding exactly n particles inside of either of these subvolumes. Furthermore, we derive the relationship between the probability functions and closely related quantities of interest, such as the $n\mathrm{th}$ nearest-neighbor distribution functions and the n-particle conditional pair distribution functions associated with each region. We solve for these quantities exactly in the one-dimensional hard-rod system. The methods developed for studying the hard-rod fluid are applicable for studying a wide class of one-dimensional systems.
Machine vision algorithms for robust pallet engagement and stacking (2016)

The Army has a critical need for the automation of logistics assets that reduce the cost of operations, while increasing the efficiency and safety of operations. These vehicles sense the world around them and react to the environment, thereby minimizing the need to modify the working environment. An important feature that needs to be addressed is pallet engagement: the ability to find cargo pallets, sufficiently localize them so that autonomous tactical forklifts can safely engage and interact with them, and then manipulate those containers for stacking and unstacking operations. In this paper, we detail our work with using the Light Capability Right Terrain Forklift (LCRTF) as the autonomous platform for safely engaging Joint Modular Intermodal Containers using machine vision techniques. We will: . Detail the requirements for the system; . Discuss the issues involved with the pallet, the vehicle, and the environment; . Discuss the sensors used; . Detail the machine vision techniques that failed to support this task, and why; . Detail the current effective methods for machine vision based pallet engagement; and . Discuss future efforts.
Direct Visualization of Oxygen Distribution in Operating Fuel Cells (2008)

Cell diagnosis: The oxygen distribution in the interior of operating fuel cells can be visualized by using dye films painted on the transparent gas flow field (see image). The spatial and time resolutions are 300 μm and 500 ms, respectively. The oxygen distribution in a polymer electrolyte membrane fuel cell was not in accordance with that expected from the current, suggesting a significant contribution from water. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2008/z705516_s.html or from the author. 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.
Deprotonation Equilibrium of 5-Tropolonediazonium Salt Strongly Favors 1,2,5-Tropoquinone-5-diazide Structure in Certain Solvents (2013)

5-Tropolonediazonium salt 1 is a well-known intermediate for the preparation of 5-substituted tropolone derivatives, but 1,2,5-tropoquinone-5-diazide 2, which is expected to be formed by deprotonation of 1, has not been reported. We synthesized 2, and the structures of 1 and 2 were investigated and compared. NMR and UV spectral data indicated that 1 is easily deprotonated in water, methanol, DMSO, and DMF and exists in the form of 2 in these solvents (but not in acetone or acetonitrile) because of its strong acidity (estimated pKa -2.07). Thus, the acid-base equilibrium shows strong solvent-dependence. Compound 2 may be synthetically available as a carbene precursor.
Insulin activation of insulin receptor tyrosine kinase in intact rat adipocytes. An in vitro system to measure histone kinase activity of insulin receptors activated in vivo. (1986)

We have studied the effect of incubation of intact cells with insulin on insulin receptor kinase activity. Following exposure of rat adipocytes to insulin, cells were solubilized and insulin receptors purified by specific immunoprecipitation or by insulin affinity chromatography. Kinase activity of the receptors, as measured by phosphorylation of histone 2B, was then determined. Insulin treatment of the cells resulted in a 10-20-fold increase in histone kinase activity of the subsequently isolated insulin receptors. The insulin effect was half-maximal at 3 s and maximal within 15 s of exposure, was dose-dependent (EC50 = 21 ng/ml), and was rapidly reversible following dissociation of insulin from the cells. The insulin effect in intact cells on insulin receptor kinase activity could be partially reversed in vitro by dephosphorylation of the isolated receptors by alkaline phosphatase. It is proposed that: in intact cells, insulin causes alterations in insulin receptors, such that their kinase activity toward non-receptor substrates increases; increased insulin receptor kinase activity following insulin stimulation in intact cells is, at least in part, the result of an increased phosphate content of the receptors; and effects of insulin on insulin receptors in intact cells can be preserved during receptor isolation and thus can be measured in a cell-free system.
Lipocalin-2 in the Inflammatory Activation of Brain Astrocytes (2015)

Lipocalin-2 (LCN2), a secretory protein, regulates diverse cellular processes such as cell death/survival, cell migration/invasion, cell differentiation, iron delivery, inflammation, insulin resistance, and tissue regeneration. Recently, we reported that LCN2 is secreted by brain astrocytes under inflammatory conditions and that it promotes apoptosis, morphological changes, and migration in astrocytes both in vitro and in vivo. Activated astrocytes release LCN2 not only to induce the morphological transformation associated with reactive astrocytosis, but also to promote their own death. Under inflammatory conditions, activated astrocytes also show functional dichotomy similar to the M1/M2 phenotypes of microglia and macrophages. LCN2 is thought to be a chemokine inducer and an autocrine promoter of the classical proinflammatory activation of astrocytes. This article summarizes the current knowledge regarding the role of astrocyte-derived LCN2 as a proinflammatory mediator in the central nervous system and discusses LCN2’s role in neuroinflammatory disorders.
Tunable few-cycle laser source: A new efficient process through filamentation in gases (2006)

Tunable few-cycle laser pulses in the visible spectrum are efficiently generated by four wave mixing process during the filamentation in air. The mode quality and energy stability were exceptional.
Multi-user scheduling schemes for multi-layered space time coded systems (2009)

In this paper, we propose and evaluate the performance of multi-user scheduling schemes for multi-layered space time block coded systems (MLSTBC). These are MIMO systems that combine spatial multiplexing and transmit diversity. Several scheduling criteria are proposed and compared. That includes the MLSTBC capacity maximizing scheduler, which requires computing the postprocessing channel matrix for all users. The results also show that scheduling based on the Frobenius norm of the MIMO channel performs very close to the maximum MLSTBC capacity scheduler with less computation requirements.
Decomposition Kinetics of Mannose, Its Sugar Alcohol, and Its Uronic Acid under Hydrothermal Condition (2016)

The present study determines the kinetics for decomposition of mannose, its corresponding uronic acid (mannuronic acid (MA)), and sugar alcohol (mannitol) under hydrothermal condition. The experimental work was conducted using a continuous-flow-reactor at temperatures ranging from 170 to 250°C, and with residence time between 3 and 15 s. The operating pressure was fixed at 25 MPa throughout the experiment. The remaining amount of all compounds decreased as the temperature increased. The decomposition reaction followed first order kinetics at shorter residence times. The decomposition rate increased in the order of MA<mannitol<mannose with similar activation energies of 28.3, 29.1 and 44.6 kJ/mol, respectively. However, the pre-exponential factors were 282, 6.19, and 9,600 s−1 for Ma, mannitol, and mannose, respectively, indicating that uronic acid is twice as easily decomposed, while sugar alcohol is less reactive than mannose by two orders of magnitude for the temperature range studied here.
The Future of the Moving Image (2000)

Electronic cameras and projectors are improving at a rapid pace. Computational elements are increasing in power to the point where substantial processing can be applied to the image stream. Compression algorithms have improved to the point where very high quality can be maintained at high compression ratios. The combination of high resolution and high frame rate can bring unprecedented image clarity to an electronic imaging system. With high quality compression as a central system element, image capture and presentation systems can realize their full technology potential. While it is evident that uncompressed digital video at standard definition is widely available for many video system elements, it is only now becoming apparent that imaging systems are poised to jump orders of magnitude in quality beyond this. HDTV implementations of the last decade begin to look like a small step in comparison to the leap in quality that is now anticipated.
Identification of multiplicative parameters in stochastic bilinear systems (1984)

A new method for identifying multiplicative parameters (i.e. the matrix-valued coefficients of the multiplicative state feedback) appearing in discrete-time bilinear models is proposed. The system is supposed to operate in a stochastic environment where the noisy output is the only sequence available for measurements. Ergodicity is not assumed, and the probability distributions involved may be arbitrary and unknown. A correlative identification technique is presented which uses stochastic approximation algorithms for estimating (with probability one) the unknown parameters. Simulated results are included.
Effects of all-trans retinoic acid (ATRA) in addition to chemotherapy for adults with acute myeloid leukaemia (AML) (non-acute promyelocytic leukaemia (APL)) (2015)

We found no evidence for a difference between participants receiving ATRA in addition to chemotherapy or chemotherapy only for the outcome OS. Regarding DFS, CRR and on-study mortality, there is probably no evidence for a difference between treatment groups. Currently, it seems the risk of adverse events are comparable to chemotherapy only.As quality of life has not been evaluated in any of the included trials, further research is needed to clarify the effect of ATRA on quality of life.