gebhart/patrepeval huggingface dataset:
Van der Waals Forces in Atoms and Molecules (1964)

The time-dependent variation-perturbation method is applied to the estimation of van der Waals forces (—C/R6 term) in atoms and molecules. Use is made of an expression for the coefficient C involving an integral over imaginary frequencies of the dynamic polarizabilities of the interacting species. With an analytic approximation to the dynamic polarizabilities that can be extended into the imaginary frequency range, a simple formula for the van der Waals force is obtained. Applications of the method to the interactions between S-state atoms (H, He, Ne, Ar) are given and the results are compared with available theoretical and experimental values. Also, atom—molecule interactions involving (H, H2) and (He, H2) are examined, and the anisotropies in the van der Waals forces are calculated.
A Dynamic Simulation Strategy for PCCI Combustion Control Design (2011)

Subject of this work is a dynamic simulation strategy for PCCI combustion that can be used in closed-loop control development. A detailed multi-zone chemistry model for the high-pressure part of the engine cycle is extended by a mean value model accounting for the gas exchange losses. The resulting stationary model is capable of describing PCCI combustion sufficiently well. It is at the same time very economic with respect to computational costs. The model is further extended by identified system dynamics influencing the stationary inputs. For this, a Wiener model is set up that uses the stationary model as a nonlinear system representation. In this way, a dynamic nonlinear model for the representation of the controlled plant Diesel engine is created. This paper summarizes an important outcome of the the Collaborative Research Centre "SFB 686 - Modellbasierte Regelung der homogenisierten Niedertemperatur-Verbrennung" at RWTH Aachen University and Bielefeld University, Germany.
Rib‐reinforced Shell Structure (2017)

Abstract Shell structures are extensively used in engineering due to their efficient load‐carrying capacity relative to material volume. However, large‐span shells require additional supporting structures to strengthen fragile regions. The problem of designing optimal stiffeners is therefore becoming a major challenge for shell applications. To address it, we propose a computational framework to design and optimize rib layout on arbitrary shell to improve the overall structural stiffness and mechanical performance. The essential of our method is to place ribs along the principal stress lines which reflect paths of material continuity and indicates trajectories of internal forces. Given a surface and user‐specified external loads, we perform a Finite Element Analysis. Using the resulting principal stress field, we generate a quad‐mesh whose edges align with this cross field. Then we extract an initial rib network from the quad‐mesh. After simplifying rib network by removing ribs with little contribution, we perform a rib flow optimization which allows ribs to swing on surface to further adjust rib distribution. Finally, we optimize rib cross‐section to maximally reduce material usage while achieving certain structural stiffness requirements. We demonstrate that our rib‐reinforced shell structures achieve good static performances. And experimental results by 3D printed objects show the effectiveness of our method.
Charakterisierungs- und Simulationsmethodik zum Versagensverhalten energieabsorbierender Faserverbundstrukturen (2012)

In der Arbeit werden experimentelle und numerische Methoden vorgestellt, mit denen das Versagensverhalten von energieabsorbierenden FVK-Strukturen naher analysiert wird. Ausgehend von der Werkstoffcharakterisierung werden die entwickelten Simulationsmethoden fur eine Detailanalyse von axial belasteten FVK-Strukturen genutzt. Hierbei wird uber das eingefuhrte „Konzept des wirksamen Querschnitts“ eine Vordimensionierung der spezifischen Kennwerte durchgefuhrt. Fur eine Gesamtfahrzeugsimulation wird zudem eine berechnungseffiziente FE-Methode entwickelt.
Base-induced reactions of N-substituted dibenzylamine N-oxides and related compounds: a novel aziridine forming reaction (1982)

The reactions of the N-substituted dibenzylamine N-oxides (1)(R = benzyl, n-butyl, or cyclohexyl) with n-butyl-lithium in ether gave the corresponding cis-2,3-diphenylaziridines in moderate yields (20–42%); application of this reaction to other related compounds enabled a novel ring system, 10,11-dihydro-10,11,5-nitrilomethanodibenzocycloheptene to be synthesized.
Does large quantum Fisher information imply Bell correlations? (2019)

The quantum Fisher information (QFI) of certain multipartite entangled quantum states is larger than what is reachable by separable states, providing a metrological advantage. Are these nonclassical correlations strong enough to potentially violate a Bell inequality? Here, we present evidence from two examples. First, we discuss a Bell inequality designed for spin-squeezed states which is violated only by quantum states with a large QFI. Second, we relax a well-known lower bound on the QFI to find the Mermin Bell inequality as a special case. However, a fully general link between QFI and Bell correlations is still open.
The Effect of a Probiotic Complex on the Gut-Brain Axis: A Translational Study (2021)

According to the results, L. reuteri PBS072 and B. breve BB077 are potential probiotic candidates for improving stress resilience, cognitive functions, and sleep quality.
Topotactic Synthesis and Crystal Structure of a Highly Fluorinated Ruddlesden–Popper-Type Iron Oxide, Sr3Fe2O5+xF2–x (x ≈ 0.44) (2011)

Topotactic reaction of the n = 2 Ruddlesden–Popper phase Sr3Fe2O7−δ (δ ≈ 0.18) with polytetrafluoroethylene (PTFE) yields a highly fluorinated phase Sr3Fe2O5+xF2–x (x ≈ 0.44), compared with Sr3Fe2O6F0.87 prepared by the reaction of Sr3Fe2O6 and F2 gas. Structure analyses based on powder neutron diffraction, synchrotron powder diffraction, and 57Fe Mössbauer spectroscopy measurements demonstrate that the new oxyfluoride perovskite has no anion deficiencies and adopts the tetragonal structure (space group I4/mmm) with the lattice constants a = 3.87264(6) Å and c = 21.3465(6) Å at room temperature. The fluoride ions preferentially occupy the terminal apical anion sites with oxide ions in a disordered manner, which results in square pyramidal coordination around iron. The present compound also shows an antiferromagnetic order with a Néel temperature (TN) of 390 K, in sharply contrast to Sr3Fe2O6F0.87, which has a TN value that is lower than room temperature.
The VP1 capsid protein of adeno-associated virus type 2 is carrying a phospholipase A2 domain required for virus infectivity (2002)

The unique region of the VP1 protein of parvoviruses was proposed to contain a parvoviral phospholipase A2 (pvPLA2) motif. Here, PLA2 activity is shown in the unique region of adeno-associated virus type 2 (AAV-2) VP1 when expressed as an isolated domain in bacteria. Mutations in this region of the capsid protein strongly reduced the infectivity of mutant virions in comparison to wild-type AAV-2. This correlated with effects on the activity of PLA2. The mutations had no influence on capsid assembly, packaging of viral genomes into particles or binding to and entry into HeLa cells. However, a delayed onset and reduced amount of early gene expression, as measured by Rep immunofluorescence, was observed. These results suggest that pvPLA2 activity is required for a step following perinuclear accumulation of virions but prior to early gene expression.
A New Hybrid PLL for Interconnecting Renewable Energy Systems to the Grid (2013)

There is a need to develop new control strategies for interconnecting renewable energy systems (RESs) to the power grid due to the continuously increasing penetration of RES and, in particular, of wind power systems. The control strategies are typically based on a fast and accurate detection of the phase angle of the grid voltage which may be estimated by using a phase-locked loop (PLL) control circuit. The performance of the PLL under normal and abnormal operational conditions is a crucial aspect, since the RES is desired to operate accurately to support the power system under grid fault conditions. This paper investigates the performance of three different PLLs: a synchronous reference frame (SRF) PLL, a stationary reference frame PLL, and a decoupled double SRF PLL. The results of this investigation motivate the development of a new hybrid PLL which is a combination of the aforementioned PLLs and uses the advantages of each PLL. The proposed decoupled stationary reference frame PLL (dαβPLL) may be an appropriate solution to use in an interconnected RES with fault ride through (FRT) capability, since it prevails the other PLLs with regard to its accuracy under unbalanced faults. Furthermore, it has a lower deviation of the estimated phase after the fault occurs. This could be depicted as a faster response of the dαβPLL within the same frequency limits. The performance of the new hybrid dαβPLL is verified through simulations and experiments. Furthermore, the new PLL is used in an interconnected RES through experiments under normal and FRT operations.
Ethylene negatively regulates local expression of plant defense lectin genes (1998)

Griffonia simplicifolia leaf lectin II (GS‐II) is a N ‐acetylglucosamine (GlcNAc) binding protein, consisting of large (rGS‐II) and small (sGS‐II) subunits, that is presumed to function in plant defense because both the holoprotein and the rGS‐II inhibited insect growth and development in feeding bioassays. A cDNA encoding sGS‐II has been isolated and the deduced peptide has sequence similarity to class III chitinases. However, neither the GS‐II holoprotein nor bacterially expressed recombinant sGS‐II proteins had detectable chitinase or lysozyme activities. Both rGS‐II and sGS‐II mRNAs accumulated in response to methyl jasmonate (Me‐JA) treatment but not after wounding in local leaves unless injury was followed by treatment with the ethylene action inhibitor norbornadiene (NBD). Salicylic acid (SA) suppressed wounding/NBD induction of GS‐II transcript accumulation and ethylene inhibited Me‐JA‐induced expression. Apparently, defensive gene expression induced by signal transduction through the octadecanoid pathway in local leaves is suppressed by stress induced ethylene that is produced as a consequence of wounding. However, in leaves systemic to the wound site, rGS‐II mRNA levels increased substantially indicating that physiological levels of ethylene are insufficient to down regulate defensive gene expression away from the site of injury. It seems that G. simplicifolia has evolved a rather specialized response to herbivore attack whereby local activation of defensive gene expression is attenuated in order to mount a more substantial defense distal to the site of invasion.
CNS Drug Development (2010)

This column is the second in a series on central nervous system (CNS) drug development. The goal of this series is to explain to practicing clinicians how drugs are developed and why CNS drug development is at an important juncture involving both significant challenges and opportunities. This column (Part 2) reviews the history of CNS drug development from the 1960s to the 1990s. During the 1960s, researchers acquired a much clearer understanding of basic CNS pharmacology (e.g., biogenic amine transmitter systems in the brain) and developed the first animal models of psychiatric illness that could be used to test potential psychiatric medications. During the 1970s, drug development scientists used their expanded understanding of receptor binding affinity and the theories and techniques developed in the 1950s and 1960s to produce new CNS-active medications. They did this by adding or reducing affinities for certain regulatory proteins (e.g., receptors) to increase positive effects and/or minimize adverse effects. The development of newer antipsychotics and antidepressants is discussed to illustrate this process. The next column in this series will review CNS drug development during the first decade of the 21st century and discuss what directions we can expect the field to take in the next 10 to 20 years.
Gas entrainment effects on cavitation number in mercury in 1/2" venturi to 400ê F. (1965)

http://deepblue.lib.umich.edu/bitstream/2027.42/5313/5/bac3438.0001.001.pdf
Wavelet and spectral methods for computational electromagnetics (2005)

We review the state-of-the-art in wavelet and spectral methods for ordinary and partial differential equations and show their applications in computational electromagnetics.
We construct the derivative operator for the Daubechies multiresolution analysis on the interval in Y. Meyer's construction. Closed-form analytical expressions are derived for the differentiation matrix entries for the case of N = 2 vanishing moments. Analysis shows that the differentiation matrix (a) yields only algebraic order of accuracy in the differentiation of smooth functions, and (b) does not retain the superconvergence property obtained with periodic boundary conditions.
We apply prolate spheroidal wave functions of order zero as basis functions in the pseudospectral method for electromagnetic simulation problems. Like trigonometric and orthogonal polynomials, prolate spheroidal wave functions also yield spectrally accurate representations for smooth functions. The prolate functions are particularly well-suited for the characterization of bandlimited functions: In terms of the number of samples required per wavelength, the prolate expansion is superior to the Chebyshev and Legendre polynomial series by a factor of π/2. Numerical experiments confirm that the resulting prolate pseudospectral method possesses important advantages over conventional polynomial-based pseudospectral methods. These include higher accuracy using smaller number of unknowns (especially for problems involving bandlimited functions) and better resolution near the domain center via a more uniform collocation grid. 
We examine the eigenvalue and Lax-stability for explicit time-stepping in the pseudospectral method based on prolate spheroidal wave functions. Stability analysis of the prolate pseudospectral discretizations is carried out via pseudospectra of the associated prolate differentiation matrices. We show that, as compared to conventional (Chebyshev or Legendre) pseudospectral methods, the maximum stable time-step can be considerably larger in the prolate pseudospectral method. Several numerical examples are presented to demonstrate the efficiency of the prolate pseudospectral method.
The spectral differentiation and interpolation steps of the prolate pseudospectral method involve matrix-vector products, which, if evaluated directly, entail O(N2) memory requirement and computational complexity (where N is the number of unknowns utilized for discretization and interpolation). In this work we show that the Fast Multipole Method (FMM) can be used to reduce the memory requirement and computational complexity of the prolate pseudospectral method to O( N). Example simulation results demonstrate the speed and accuracy of the resulting fast prolate pseudospectral solver.
Changes in Pectin Content and Average Molecular Weight of Pectin during Maturation of the Mango "Kaew". (1999)

Water soluble pectin (WSP) in an alcohol insoluble solid (AIS) of mango “Kaew”, which is exclusively used in processing, increased with maturation. Hydrochloric acid soluble pectin (HSP) decreased. Ammonium oxalate soluble pectin (ASP) did not exhibit a regular pattern. Average molecular weight (MW) of all soluble pectins decreased as the mangoes matured to the overripe stages. Between the half-ripe and ripe stages, average MW decreased significantly in both WSP and ASP. Average MW values for HSP declined gradually as maturation proceeded.
Lysine164α of protein farnesyltransferase is important for both CaaX substrate binding and catalysis (2001)

Protein farnesyltransferase (FTase) catalyses the formation of a thioether linkage between proteins containing a C-terminal CaaX motif and a 15-carbon isoprenoid. The involvement of substrates such as oncogenic Ras proteins in tumour formation has led to intense efforts in targeting this enzyme for development of therapeutics. In an ongoing programme to elucidate the mechanism of catalysis by FTase, specific residues of the enzyme identified in structural studies as potentially important in substrate binding and catalysis are being targeted for mutagenesis. In the present study, the role of the positive charge of Lys164 of the α subunit of FTase in substrate binding and catalysis was investigated. Comparison of the wild-type enzyme with enzymes that have either an arginine or alanine residue substituted at this position revealed unexpected roles for this residue in both substrate binding and catalysis. Removal of the positive charge had a significant effect on the association rate constant and the binding affinity of a CaaX peptide substrate, indicating that the positive charge of Lys164α is involved in formation of the enzyme (E)·farnesyl diphosphate (FPP)·peptide ternary complex. Furthermore, mutation of Lys164α resulted in a substantial decrease in the observed rate constant for product formation without alteration of the chemical mechanism. These and additional studies provide compelling evidence that both the charge on Lys164α, as well as the positioning of the charge, are important for overall catalysis by FTase.
FastVDO enhancements of the AV1 codec and comparison to HEVC and JVET codecs (2017)

This paper describes a study to investigate possible ways to improve the AV1 codec, in several directions, most particularly in the context of 10-bit HDR video content, and 8/10 bit image content. Applications to SDR video, and 360 content are discussed elsewhere. For HDR content, a data adaptive grading technique in conjunction with the AV1 codec is studied. For image content, lapped biorthogonal transforms for (near) lossless compression is studied. For scalability-type applications, we introduce advanced resampling filters which outperform current ones. It is asserted that useful improvements are possible in each of these categories. In particular, substantial value is offered in the coding of HDR content, very competitive with HEVC HDR10, in a coding framework offering backwards compatibility with SDR. We also provide a rudimentary comparison of AV1 to the standard HEVC as well as the developing JVET codecs.
Plasma Folate, Vitamin B6, Vitamin B12, and Homocysteine and Pancreatic Cancer Risk in Four Large Cohorts (2007)

Folate deficiency induces DNA breaks and may alter cellular capacity for mutation and epigenetic methylation. Few studies have examined the influence of one-carbon nutrients on pancreatic cancer risk, although recent studies suggest a potential protective effect for one-carbon nutrients from food sources, but not from supplements. We conducted a prospective nested case-control study to examine plasma concentrations of folate, vitamin B6 [whose main circulating form is pyridoxal-5'-phosphate (PLP)], vitamin B12, and homocysteine in relationship to pancreatic cancer, using four large prospective cohorts. Multivariable adjusted odds ratios (OR) and 95% confidence intervals (95% CI) were calculated using conditional logistic regression. All statistical tests were two sided. Among 208 cases and 623 controls, we observed no association between folate, PLP, vitamin B12, or homocysteine and pancreatic cancer risk. Comparing the highest to lowest quartiles of plasma concentration, the ORs were 1.20 (95% CI, 0.76-1.91) for folate, 0.80 (95% CI, 0.51-1.25) for B6, 0.91 (95% CI, 0.57-1.46) for B12, and 1.43 (95% CI, 0.90-2.28) for homocysteine. In analyses restricted to nonusers of multivitamins, we observe a modest inverse trend between folate, PLP, and B12 and pancreatic cancer risk. In contrast, no such inverse associations were observed among study subjects who reported multivitamin supplement use. Among all participants, plasma levels of folate, B6, B12, and homocysteine were not associated with a significant reduction in the risk of pancreatic cancer. Among participants who obtain these factors exclusively through dietary sources, there may be an inverse relation between circulating folate, B6, and B12 and risk.
Antiplatelet Effect of Cudraxanthone L Isolated from Cudrania tricuspidata via Inhibition of Phosphoproteins (2020)

Cudrania tricuspidata (C. tricuspidata) is a deciduous tree found in Japan, China and Korea. The root, stems, bark and fruit of C. tricuspidata has been used as traditional herbal remedies such as eczema, mumps, acute arthritis and tuberculosis. In this study, we investigated the potential efficacies of this natural compound by focusing on the inhibitory effect of cudraxanthone L (CXL) isolated from the roots of C. tricuspidata on human platelet aggregation. Our study focused on the action of CXL on collagen-stimulated human platelet aggregation, inhibition of platelet signaling molecules such as fibrinogen binding, intracellular calcium mobilization, fibronectin adhesion, dense granule secretion, and thromboxane A₂ secretion. In addition, we investigated the inhibitory effect of CXL on thrombin-induced clot retraction. Our results showed that CXL inhibited collagen-induced human platelet aggregation, intracellular calcium mobilization, fibrinogen binding, fibronectin adhesion and clot retraction without cytotoxicity. Therefore, we confirmed that CXL has inhibitory effects on human platelet activities and has potential value as a natural substance for preventing thrombosis.
Real-Time, Two-Color Stimulated Raman Scattering Imaging of Mouse Brain for Tissue Diagnosis (2022)

Stimulated Raman scattering (SRS) microscopy has emerged as a powerful optical imaging technique for tissue diagnosis. In recent years, two-color SRS has been shown to be able to provide hematoxylin and eosin (H&E)-equivalent images that allow fast and reliable diagnosis of brain cancer. Such capability has enabled exciting intraoperative cancer diagnosis applications. Two-color SRS imaging of tissue can be done with either a picosecond or femtosecond laser source. Femtosecond lasers have the advantage of enabling flexible imaging modes, including fast hyperspectral imaging and real-time, two-color SRS imaging. A spectral-focusing approach with chirped laser pulses is typically used with femtosecond lasers to achieve high spectral resolution. Two-color SRS acquisition can be realized with orthogonal modulation and lock-in detection. The complexity of pulse chirping, modulation, and characterization is a bottleneck for the widespread adoption of this method. This article provides a detailed protocol to demonstrate the implementation and optimization of spectral-focusing SRS and real-time, two-color imaging of mouse brain tissue in the epi-mode. This protocol can be used for a broad range of SRS imaging applications that leverage the high speed and spectroscopic imaging capability of SRS.
Design of Intrinsic and Extrinsic Base Process of HBT using Blanket SiGeC Epitaxial Growth (2006)

The profile design methodology of a blanket SiGeC epitaxial layer for hetero junction bipolar transistor (HBT) is presented. Two important factors, Ge profile and Si cap are designed to minimize the carrier transit time in the intrinsic base region. Concurrently, a BF2 ion implantation and a cobalt silicide process for the extrinsic base were optimized to accommodate the Si cap thickness without relaxing a strain in SiGe layers caused by a reaction between Ge and Co. This design resulted in HBTs with 94-GHz cut-off frequency (fT), 81-GHz maximum oscillation frequency (fmax), and 0.45 dB minimum noise figure at 2 GHz, which could be utilized for consumer electronics products operating within a 2-5 GHz frequency range. The HBT was successfully implemented into 0.25-μm CMOS process with various kinds of passive devices to produce LSIs for consumer wireless electronics.