gebhart/patrepeval huggingface dataset:
Synthesis, Biological Evaluation, and Molecular Modeling Investigation of Chiral Phenoxyacetic Acid Analogues with PPARα and PPARγ Agonist Activity (2007)

Peroxisome proliferator-activated receptors (PPARs) are ligand-activated transcription factors that govern lipid and glucose homeostasis, and play a central role in cardiovascular disease, obesity, and diabetes. Thus, there is significant interest in developing new and specific agonists for these receptors. Herein we present screening results for a series of chiral phenoxyacetic acid analogues, some of which are potent PPARalpha agonists as well as PPARgamma agonists. The stereochemistry of these compounds plays an important role in determining their activity; the S isomers were observed to be more active than the corresponding R isomers. Interestingly, for one of these analogues, the stereoselectivity toward PPARalpha was reversed, and for this reason docking experiments were performed to rationalize this peculiar behavior.
Mobility prediction Based on Machine Learning Algorithms (2021)

Nowadays mobile communication is growing fast in the 5G communication industry. With the increasing capacity requirements and requirements for quality of experience, mobility prediction has been widely applied to mobile communication and has becoming one of the key enablers that utilizes historical traffic information to predict future locations of traffic users, Since accurate mobility prediction can help enable efficient radio resource management, assist route planning, guide vehicle dispatching, or mitigate traffic congestion. However, mobility prediction is a challenging problem due to the complicated traffic network. In the past few years, plenty of researches have been done in this area, including Non-Machine-Learning (Non-ML)- based and Machine-Learning (ML)-based mobility prediction. In this paper, firstly we introduce the state of the art technologies for mobility prediction. Then, we selected Support Vector Machine (SVM) algorithm, the ML algorithm for practical traffic date training. Lastly, we analyse the simulation results for mobility prediction and introduce a future work plan where mobility prediction will be applied for improving mobile communication.
Rheology‐processing‐property relationships in tubular blown film extrusion. I. High‐pressure low‐density polyethylene (1983)

Abstract Three different grades of high‐pressure low‐density polyethylene resin were used to establish relationships between tubular film blowability and the molecular parameters, namely, the molecular weight distribution (MWD) and the degree of long‐chain branching (LCB), and also between the processing conditions and the mechanical properties of the tubular blown films produced. For the study, both the shearing and elongational flow properties of the resins were determined. During the tubular film blowing experiment we measured the freeze‐line position, the tubular bubble diameter, the takeup speed, the axial tension, the pressure inside the tubular bubble, and the mass flow rate of the resin. The thickness of the tubular blown films was measured from the samples collected. In order to determine the tubular film blowability, we measured the maximum takeup speed at which the tubular blown bubble broke, for various blowup ratios. The measurements described above permitted us to calculate the tensile stresses at the freeze line, in both the machine and transverse directions, and they were found to be correlatable to the processing conditions employed. It has been found that the tubular film blowability is increased as the resin's MWD becomes narrower and the degree of LCB is less. It has been found further that a resin having lower elongational viscosity tends to give a greater draw‐down ratio, indicating a better tubular film blowability. Finally, the tensile properties of the tubular blown films were found correlatable to the processing variables, namely, blowup and takeup ratios.
Dynamics of molecular adsorption : I--collision induced dissociative chemisorption and desorption of CH4ON Ni(111), II--adsorption of CO and O2ON Ni(111) at 8 K (1988)

Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1988.
Conscientious software (2006)

Software needs to grow up and become responsible for itself and its own future by participating in its own installation and customization, maintaining its own health, and adapting itself to new circumstances, new users, and new uses. To create such software will require us to change some of our underlying assumptions about how we write programs. A promising approach seems to be to separate software that does the work (allopoietic)from software that keeps the system alive (autopoietic).
The Understanding of Gate Capacitance Matching on Achieving a High Performance NC MOSFET with Sufficient Mobility (2019)

We develop experimental approaches to quantitatively extract the negative capacitance of MIM in a gate stacked NCFET. It was found that the NC effect is highly dependent on the grain and dipole behaviors with different annealing temperature. Also, to achieve a better design of high-performance NCFET, we explore not only the capacitance matching between ferroelectric HZO MIM and MOSFET but also how effective mobility is affected by HZO dipoles. For capacitance matching, we observe a 50x enhancement of overall gate capacitance triggered by NC effect, while, however, it adversely generated the degradation of the mobility. This mobility degradation is induced by the remote scattering from the ferroelectric HZO dipoles. Fortunately, if suitable polarization can be formed to align the HZO dipoles, the effects of remote scattering can be mitigated. From a trade-off between gate capacitance and the mobility, an NCFET with desirable performance can be achieved.
Coreless printed circuit board (PCB) transformerswith high powerdensity and high efficiency (2000)

The authors report the use of a coreless printed circuit board transformer for power conversion with very high power density and efficiency. A coreless PCB transformer with an outermost radius of ~1 cm and 19 turns for both the primary and secondary windings can transfer 19 W at an efficiency of 90%, resulting in a record power density of 24 W/cm2. The power density and energy efficiency of a coreless PCB transformer are higher than those of core-based microtransformers. Coreless transformers are simpler in structure, easier to implement in silicon wafer and cheaper than core-based planar transformers.
Computed tomography of intracerebral leukemic masses (1979)

Five patients with differing types of leukemia had clinical symptoms of a localized intracerebral leukemic mass. Computed tomography (CT) demonstrated a mass of equal or increased density relative to normal brain; a zone of surrounding edema was variable. In each case, the mass showed evidence of relatively uniform contrast enhancement. CT appearance of leukemic masses is consistent and quite different from the findings in other central nervous system complications of leukemia and its aggressive treatment.
Coherent Evolution of Bouncing Bose-Einstein Condensates (1999)

We investigate the evolution of Bose-Einstein condensates falling under gravity and bouncing off a mirror formed by a far-detuned sheet of light. After reflection, the atomic density profile develops splitting and interference structures which depend on the drop height, on the strength of the light sheet, as well as on the initial mean field energy and size of the condensate. We compare experimental results with simulations of the Gross-Pitaevski equation. A comparison with the behavior of bouncing thermal clouds allows us to identify quantum features specific for condensates.
EXPERIMENTAL AND THEORETICAL STUDIES OF THE TEMPERATURE DEPENDENCE OF SPECTRAL INDUCED POLARIZATION (SIP) BASED ON A MEMBRANE POLARIZATION MODEL (2014)

Spectral induced polarization (SIP) measurements are primarily applied for near-surface investigations, where seasonal and meteorological temperature variations are present. Furthermore, investigations at greater depths are influenced by increasing temperatures. Therefore, understanding the temperature-dependence of SIP is fundamental for many applications. Laboratory measurements and model calculations can give us some insight to the influence of temperature changes on experimental results. The membrane polarization model as described by Bücker and Hördt (2013), which is based on the model of Marshall and Madden (1959), simplifies the pore space as a sequence of wide and narrow pores. The temperature dependence of the complex electrical resistivity is controlled by several parameters, like ion mobility and Debye length. Calculations with different pore sizes and ion concentrations show that the temperature dependence of the phase shift changes with varying pore radii and salinity and it slightly changes with varying pore lengths. We compare the theoretical results with SIP measurements on several sandstones, limestones, and argillite at a temperature range from 0°C to 60°C. The measured spectra show a qualitatively similar temperature-dependence to the spectra calculated with the model of Bücker and Hördt (2013). Comparing spectra of samples with different pore sizes indicates an influence of the pore radii and/or lengths on the change of the phase shift with temperature. Bücker, M., and Hördt, A., 2013.Analytical modelling of membrane polarization with explicit parameterization of pore radii and the electrical double layer, Geoph. J. Int., 194, 804-113. doi: 10.1093/gji/ggt136. Marshall, D. and Madden, T., 1959. Induced polarization, a study of its causes.Geophysics, 24(4):790-816.
Peptide Synthesis by Extracts from Bacillus subtilis Spores (1969)

Cell-free peptide synthesis by extracts from vegetative cells and spores of Bacillus subtilis was analyzed and compared. The initial rate of phenylalanine incorporation in a polyuridylate-directed system was found to be in a similar range for the two extracts. However, spore extracts frequently incorporated less total phenylalanine as did the vegetative cell system. Optimal conditions for amino acid incorporation by spore extracts were found to be similar to those of vegetative cell extracts. Polyphenylalanine synthesis was stimulated by preincubation of both extracts prior to the addition of polyuridylic acid (poly U) and labeled phenylalanine. Both systems showed a dependence on an energy-generating system and were inhibited by chloramphenicol and puromycin. Ribonuclease, but not deoxyribonuclease, inhibited the reaction significantly. The presence of methionine transfer ribonucleic acid (tRNA(F)) and methionyl-tRNA(F) transformylase was demonstrated in spore extracts. An analysis of several aminoacyl-tRNAs in spores revealed that the relative amounts of these tRNAs were similar to those found in vegetative cells. Only lysine tRNA was found to be present in relatively greater amounts in spores. These results indicate that dormant spores of B. subtilis contain the machinery for the translation of genetic information.
Automatic animation of high resolution images (2012)

In the report, we present a novel photo-animation method and an animation tool for transformation of a photo into an animated video clip. In opposite to the existing tools, our technology provides both automatic and intuitive interactive photo-animation of high-resolution images. Our method and technology comprise the following main components: 1. Vectorization of the image, i.e. its representation by the sets of primitive structures (geometric models) in different scales. 2. 3D-2D global scale kinematic models for various image objects, especially, for the patterns of human bodies. These models allow an adaptation to definite parameters of the patterns and provide a high visual quality of motions' reproduction, including relatively large 3D rotations. 3. Tools and methods for translation of true 3D motion (like various scenarios of human 3D motion appearing in the Carnegie Mellon University database) into 2.5D animation. 4. Tools and methods for real-time automatic fitting of the models to image objects. In the course of fitting, specific anatomic parameters of the pattern are detected and preserved. The suggested method starts with face detection and model fitting, and then extends up to a full body pose capturing and model fitting. Our approach strongly relies on information provided by a vectorized image data, like the geometry of the edges and ridges and their color profiles, and on the transformations of 3D and 2D models. 5. High level scenarios and their automatic adaptation to the actual position of the characters in the photo. The presented technology is illustrated by several examples. Links to more running examples and to our on-line Photoanimation tool are provided.
ChemInform Abstract: DICYCLOPENTADIENYLNICKEL: A PROBLEMATICAL REAGENT IN CLUSTER SYNTHESIS (1984)

Abstract Bei Zimmertemperatur reagiert Nickelocen (I) mit dem Cobaltcluster‐Komplex (II) unter Substitution einer Cobalttricarbonylgruppe durch ein Nickelcyclopentadienylfragment zu dem gemischten Cobalt‐Nickel‐Cluster‐Komplex (III).
Effect of different altitudes on soil microbial biomass and community structure of Pinus taiwanensis forest in mid-subtropical zone (2019)

全球变暖对陆地生态系统造成一系列生态问题，使这些问题将随着全球平均气温的升高而进一步加剧。海拔梯度变化是研究气候变暖对陆地生态系统影响的一种重要手段。目前为止利用海拔梯度对微生物影响的研究尚未定论，其主要原因是忽略了植被类型的影响。因此，以中亚热带戴云山的3个海拔（1300、1450、1600 m）的黄山松（Pinus taiwanensis）林为研究对象，探究沿海拔梯度的变化，森林土壤微生物生物量和微生物群落结构的响应变化。结果表明：土壤碳氮磷养分（SOC、TN、TP）、微生物生物量氮（MBN）、微生物生物量磷（MBP）和丛枝菌根真菌（AMF）、革兰氏阴性菌（GN）、真菌（Fungi）、总磷脂脂肪酸（T<sub>PLFA</sub>），细菌：真菌（F：B）均随海拔升高显著下降，而革兰氏阳性菌：革兰氏阴性菌（GP：GN）随海拔升高呈相反的趋势。冗余分析（RDA）表明，温度（T）和可溶性有机氮（DON）是影响微生物群落结构的最重要的环境因子。研究表明：与1600 m海拔相比，1300 m海拔温度较高，土壤有机质矿化作用较强，土壤速效养分及微生物生物量随之增加，从而提高（Fungi）、细菌（Bacteria）等。因此，未来气候变暖将通过改变土壤碳氮磷养分来影响本区域微生物群落组成结构。这对进一步深入了解气候变化对山地生态系统土壤养分循环过程具有重要意义。
A lightweight framework for efficient M2M device management in oneM2M architecture (2015)

Recent years have witnessed an explosion in the number and types of physical devices connected to the Internet. This exponential growth in the volume of objects poses challenges in terms of managing the connected M2M devices. A unified approach for efficient management of the M2M devices while preserving scalability is necessary. This paper proposes an M2M device management framework that can be deployed in a cloud system, M2M gateway or even inside a mobile application. CoRE Link Format is used for lightweight description of smart M2M devices. The capabilities of CoRE Link are extended to describe legacy M2M devices as a part of Internet of Things ecosystem. Open Mobile Alliance Lightweight M2M (OMA LwM2M) Technical Specifications are used in the framework to provide M2M service enablement for end users. Self-management of the M2M device configurations is outlined. The capabilities of the framework are exposed using RESTful web services. oneM2M architecture for device management is described which integrates the proposed framework. Its software implementation is examined to be ultra-lightweight. Utilization of CoRE Link settles the heterogeneity of the managed devices and promotes interoperability. Finally the paper summarizes the contributions and concludes with future directions.
Bayesian Molecular Dating Analyses Combined with Mutational Profiling Suggest an Independent Origin and Evolution of SARS-CoV-2 Omicron BA.1 and BA.2 Sub-Lineages (2022)

The ongoing evolution of severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) has resulted in the recent emergence of a highly divergent variant of concern (VOC) defined as Omicron or B.1.1.529. This VOC is of particular concern because it has the potential to evade most therapeutic antibodies and has undergone a sustained genetic evolution, resulting in the emergence of five distinct sub-lineages. However, the evolutionary dynamics of the initially identified Omicron BA.1 and BA.2 sub-lineages remain poorly understood. Herein, we combined Bayesian phylogenetic analysis, mutational profiling, and selection pressure analysis to track the virus's genetic changes that drive the early evolutionary dynamics of the Omicron. Based on the Omicron dataset chosen for the improved temporal signals and sampled globally between November 2021 and January 2022, the most recent common ancestor (tMRCA) and substitution rates for BA.1 were estimated to be that of 18 September 2021 (95% highest posterior density (HPD), 4 August-22 October 2021) and 1.435 × 10<sup>-3</sup> (95% HPD = 1.021 × 10<sup>-3</sup> - 1.869 × 10<sup>-3</sup>) substitution/site/year, respectively, whereas 3 November 2021 (95% highest posterior density (HPD) 26 September-28 November 2021) and 1.074 × 10<sup>-3</sup> (95% HPD = 6.444 × 10<sup>-4</sup> - 1.586 × 10<sup>-3</sup>) substitution/site/year were estimated for the BA.2 sub-lineage. The findings of this study suggest that the Omicron BA.1 and BA.2 sub-lineages originated independently and evolved over time. Furthermore, we identified multiple sites in the spike protein undergoing continued diversifying selection that may alter the neutralization profile of BA.1. This study sheds light on the ongoing global genomic surveillance and Bayesian molecular dating analyses to better understand the evolutionary dynamics of the virus and, as a result, mitigate the impact of emerging variants on public health.
EFFICIENT APPROXIMATE METHODS FOR THE DESIGN AND UPGRADE OF SENSOR NETWORKS (2012)

A rigorous method based on process equations for designing sensor networks for nonlinear systems was recently proposed (Nguyen and Bagajewicz, Design of Nonlinear Sensor Networks for Process Plants. Ind. Eng. Chem. Res. 2008, 47, 5529–5542). The method has been shown to be efficient for middle scale problems. For realistic large scale problems, the method can identify several suboptimal solutions but fails to identify the optimal solution within an acceptable PC computational time. This paper presents an approximate method that attempts to locate optimal solution starting from the suboptimal solutions provided by the rigorous equations-based method. We show that although optimality is not guaranteed, the proposed method was able to identify global optimum solutions in design case studies.
Room‐Temperature Chiral Light‐Emitting Diode Based on Strained Monolayer Semiconductors (2021)

Room-temperature chiral light sources whose optical helicity can be electrically switched are one of the most important devices for future optical quantum information processing. The emerging valley degree of freedom in monolayer semiconductors allows generation of chiral luminescence via valley polarization. However, relevant valley-polarized light-emitting diodes (LEDs) have only been achieved at low temperatures (typically below 80 K). Here, a room-temperature chiral LED with strained transition metal dichalcogenide monolayers is realized. Spatially resolved polarization spectroscopy reveals that strain effects are crucial to yielding robust valley-polarized electroluminescence. The broken threefold rotational symmetry of strained monolayers induce inequivalent valley drifts at the K/K' valleys, resulting in different amounts of spin recombination driven by electric fields. Based on this scenario, ideally strained conditions are designed for LEDs on flexible substrates, in which the helicity of room-temperature valley-polarized electroluminescence is electrically tuned. The results provide a new pathway for practical chiral light sources based on monolayer semiconductors.
Recent Advances And New Perspectives In Targeting CFTR For Therapy Of Cystic Fibrosis And Enterotoxin-Induced Secretory Diarrheas (2012)

The cystic fibrosis transmembrane conductance regulator (CFTR) is a cAMP-regulated chloride channel localized primarily at the apical surfaces of epithelial cells lining airway, gut and exocrine glands, where it is responsible for transepithelial salt and water transport. Several human diseases are associated with an altered channel function of CFTR. Cystic fibrosis (CF) is caused by the loss or dysfunction of CFTR-channel activity resulting from the mutations on the gene; whereas enterotoxin-induced secretory diarrheas are caused by the hyperactivation of CFTR channel function. CFTR is a validated target for drug development to treat these diseases. Significant progress has been made in developing CFTR modulator therapy by means of high-throughput screening followed by hit-to-lead optimization. Several oral administrated investigational drugs are currently being evaluated in clinical trials for CF. Also importantly, new ideas and methodologies are emerging. Targeting CFTR-containing macromolecular complexes is one such novel approach.
Flying focus and its application to plasma-based laser amplifiers (2018)

Abstract Combining a chirped laser pulse with a chromatic lens yields a flying focus—a laser focus that moves dynamically in time. This provides control over the propagation of the peak laser intensity within an extended focal region that can be many times larger than the system’s Rayleigh length. Any velocity is achievable, including backward relative to the laser propagation direction. Previous simulation results have shown that a laser beam with a flying focus can create a counter-propagating ionization wave and subsequently pump a frequency-downshifted laser via the stimulated Raman scattering instability. Compared to a conventional Raman amplification scheme, several advantages were highlighted, including improved temperature control, plasma uniformity, and precursor growth mitigation. Here, we extend those results to demonstrate additional benefits: (1) the flying focus makes it possible for an unseeded Raman amplifier to produce a short, high-intensity beam; and (2) the flying focus minimizes collisional absorption of the pump, facilitating amplifier operation at higher plasma densities. Preliminary experiments have laid the groundwork for a high-performance plasma-based laser amplifier. The focal spot dynamics were initially confirmed at low intensity. It was subsequently demonstrated that ionization waves of arbitrary velocity can be produced at higher intensity. Here, we show a counter-propagating ionization front moving at approximately the speed of light—the optimal result for a Raman amplifier.
pH-weighted molecular imaging of gliomas using amine chemical exchange saturation transfer MRI (2015)

Results suggest pH-weighted MRI may provide new insight into brain tumor physiology beyond traditional imaging technologies.
Fertile somatic hybrids between Solanum integrifolium and S. sanitwongsei (syn. S. kurzii) as candidates for bacterial wilt-resistant rootstock of eggplant (2007)

UV-irradiated cotyledonary protoplasts of Solanum integrifolium and iodoacetamide-treated cotyledonary protoplasts of S. sanitwongsei were electrofused and cultured. Regenerated plants were classified into three groups based on morphology and genomic in situ hybridization data. Morphology of the first group was intermediate between those of parental species. The plants bore fruits with viable seeds and had a chromosome number of 2n=48, the sum of the parental chromosome numbers, suggesting that they were symmetric fusion hybrids. Morphology of the plants in the second group was more S. integrifolium-like than that of the first group, and had two sets of S. integrifolium chromosomes and one set of S. sanitwongsei chromosomes. In contrast, plants in the third group had one set of S. integrifolium chromosomes and two sets of S. sanitwongsei chromosomes. Plants in the second and third groups were less vigorous than those in the first group, and bore few fruits. Electrophoretic analysis of the isozymes shikimate dehydrogenase, isocitrate dehydrogenase, and phosphoglucomutase, as well as random amplified polymorphic DNA analysis, demonstrated that 23 of regenerated plants from the three groups were somatic hybrids. The plants in the first group grew more vigorously than the parental plants and produced more than 5000 seeds per plant. The fertile somatic hybrids obtained in this study may be suitable candidates for eggplant rootstocks.