gebhart/patrepeval huggingface dataset:
Synthesis of Cyclometallated Platinum Complexes with Substituted Thienylpyridines and Detailed Characterization of Their Luminescence Properties (2009)

Synthesis of various derivatives of 2-(2-thienyl)pyridine via substituted 3-thienyl-1,2,4-triazines is reported. The final step of the synthesis is a transformation of the triazine ring to pyridine in an aza-Diels-Alder-type reaction. The resulting 5-aryl-2-(2-thienyl)pyridines (HL1-HL4) and 5-aryl-2-(2-thienyl)cyclopenteno[c]pyridines (HL5-HL8) (with aryl = phenyl, 4-methoxyphenyl, 2-naphtyl, and 2-thienyl) were used as cyclometallating ligands to prepare a series of eight luminescent platinum complexes of the type [Pt(L)(acac)] (L = cyclometallating ligand, acac = acetylacetonato). X-ray single crystal structures of three complexes of that series, [Pt(L5)(acac)] = [Pt(5-phenyl-2-(2-thienyl)cyclopenteno[c]pyridine)(acac)], [Pt(L6)(acac)] = [Pt(5-(4-methoxy)-2-(2-thienyl)cyclopenteno[c]pyridine)(acac)], and [Pt(L7)(acac)] = [Pt(5-(2-naphtyl)-2-(2-thienyl) cyclopenteno[c]pyridine)(acac)] were determined. Photoluminescence and electronic absorption spectra of the new [Pt(L)(acac)] complexes are reported. For two representative compounds of that series, [Pt(L4)(acac)] and [Pt(L5)(acac)], a detailed photophysical characterization based on highly resolved emission and excitation spectra, as well as on emission decay properties, was carried out. The studies down to low temperature (T = 1.2 K) and up to high magnetic fields (B = 10 T) allowed us to characterize the three individual substates of the emitting triplet state. In particular, it is shown that the lowest triplet states of [Pt(L4)(acac)] and [Pt(L5)(acac)] are largely ligand-centered (LC) of (3)pi pi* character, which experience only weak spin-orbit couplings to higher lying singlet states.
Using randomized projection techniques to aid in detecting high-dimensional malicious applications (2011)

This work is part of an on-going effort in using randomized projection as a feature extraction and reduction method to improve a cosine similarity, information retrieval technique to enhance the detection of known malicious applications and their variations. We follow a standard information retrieval methodology that allows software to be regarded as documents in the corpus. This provides the ability to search the corpus with a query, malicious software, and retrieve/identify potentially malicious software and other instances of the same type of vulnerability. In our experiments, we compare Gaussian-distributed random matrix randomized projection to two alternative methods of randomized projection, sparse matrix randomized projection and Linial-London-Rabinovich random set randomized projection, and assess their performance when applied to features of malicious applications extracted via the information retrieval technique of n-gram analysis. In our results, the Gaussian distributed random matrix approach outperformed the other methods with generally higher values for each observed performance metric, however, each algorithm showed promise in selected scenarios. These results support the hypothesis that applying the technique of random matrix projection as a dimensionality reduction method for the cosine similarity metric has merit in determining if an application may contain a malicious application.
Electron Energy-Loss Spectroscopy in an Environmental TEM (2010)

The increasing use of environmental transmission electron microscopy (TEM) in materials science provides exciting new possibilities for investigating chemical reactions and understanding both the interaction of fast electrons with gas molecules and the effect on high-resolution imaging in the presence of gases. A gaseous atmosphere in the objective lens of the microscope alters both the incoming electron wave prior to interaction with the sample and the outgoing wave below the sample. Whereas conventional TEM samples are usually thin (below 10 nm), the gas in the environmental cell fills the entire gap between the pole pieces and is thus not spatially localized, as is the case for a conventional TEM sample. By using an environmental FEI Titan TEM equipped with a monochromator, we investigate the interaction between fast electrons and gas molecules using electron energy-loss spectroscopy. Introduction State-of-the-art aberration corrected TEMs provide electron micrographs with high spatial resolution. The apparent interpretability of such images encourages microscopists to analyze data more quantitatively. Such an analysis requires a detailed knowledge of the entire path of the electron along the microscope column. The effect of gas on the electron wave in the objective lens is not well understood and needs further attention. EELS can contribute to the understanding of the electron-gas interaction, by monitoring the relation between energy-loss and scattering angle. Method By using a differentially pumped FEI Titan 80-300 Titan ETEM, electron energy-loss spectra were acquired from several gases at various pressures, ranging from ca. 10 mbar to 15 mbar. The gases were let into the environmental cell using digitally controlled mass flow controllers, providing accurate and stable control of the pressure in the cell. Spectra were acquired using 80-300 kV primary electrons to elucidate the variation in interaction cross section. Furthermore, beam intensities were recorded on the pre-GIF CCD camera in order to investigate the loss and/or scattering of electrons when passing through the high-pressure region of the column (ca. 5mm) and its effect on the signal to noise ratio in highresolution images. We will present results from various elemental as well as di-molecular gases and their effect on imaging and spectroscopy in the environmental transmission electron microscope. 0 2 4 6 8 10 12 14 16 0.00 0.05 0.10 0.15 0.20 0.25 80kV 300kV In el as tic /T ot al Argon Pressure (mbar) Figure 1. Fraction of inelastic intensity in the electron energy-loss spectrum of as a function of argon pressure. 5 10 15 20 25 30 35 In te ns ity (a .u .) Energy loss (eV) Monochromated Non-monochromated Figure 2. Low-loss electron energy-loss spectrum of 3 mbar molecular oxygen measured with a conventional FEG electron source and a monochromated FEG electron source.
Expression Changes in the Stroma of Prostate Cancer Predict Subsequent Relapse (2012)

Biomarkers are needed to address overtreatment that occurs for the majority of prostate cancer patients that would not die of the disease but receive radical treatment. A possible barrier to biomarker discovery may be the polyclonal/multifocal nature of prostate tumors as well as cell-type heterogeneity between patient samples. Tumor-adjacent stroma (tumor microenvironment) is less affected by genetic alteration and might therefore yield more consistent biomarkers in response to tumor aggressiveness. To this end we compared Affymetrix gene expression profiles in stroma near tumor and identified a set of 115 probe sets for which the expression levels were significantly correlated with time-to-relapse. We also compared patients that chemically relapsed shortly after prostatectomy (<1 year), and patients that did not relapse in the first four years after prostatectomy. We identified 131 differentially expressed microarray probe sets between these two categories. 19 probe sets (15 genes overlapped between the two gene lists with p<0.0001). We developed a PAM-based classifier by training on samples containing stroma near tumor: 9 rapid relapse patient samples and 9 indolent patient samples. We then tested the classifier on 47 different samples, containing 90% or more stroma. The classifier predicted the risk status of patients with an average accuracy of 87%. This is the first general tumor microenvironment-based prognostic classifier. These results indicate that the prostate cancer microenvironment exhibits reproducible changes useful for predicting outcomes for patients.
How hazardous are ionic liquids? Structure–activity relationships and biological testing as important elements for sustainability evaluationThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13–16th October 2002. (2003)

For ionic liquids only few toxicological and/or ecotoxicological data are available until now. A strategy is presented which aims at an environmental risk assessment of chemicals, using a combination of structure–activity relationships (SAR), toxicological and ecotoxicological tests and modelling. The parts “test-kit-concept” and “multidimensional risk analysis” are described in detail by means of selected imidazolium ionic liquids. The iterative process of this strategy offers a tool for sustainable product design.
Modeling and predicting application performance on hardware accelerators (2011)

Systems with hardware accelerators speedup applications by offloading certain compute operations that can run faster on accelerators. Thus, it is not surprising that many of top500 supercomputers use accelerators. However, in addition to procurement cost, significant programming and porting effort is required to realize the potential benefit of such accelerators. Hence, before building such a system it is prudent to answer the question `what is the projected performance benefit from accelerators for workloads of interest?' We address this question by way of a performance-modeling framework, which predicts realizable application performance on accelerators speedily and accurately without going to the considerable effort of porting and tuning.
Towards Bridging the Gap between Modern and Legacy Automotive ECUs: A Software-Based Security Framework for Legacy ECUs (2019)

Modern automotive architectures are complex and often comprise of hundreds of electronic control units (ECUs). These ECUs provide diverse services including infotainment, telematics, diagnostics, advanced driving assistance, and many others. The availability of such services is mainly attained by the increasing connectivity with the external world, thus expanding the attack surface. In recent years, automotive original equipment manufacturers (OEMs) and ECU suppliers have become cautious of cyber attacks and have begun fortifying the most vulnerable systems, with hardware-based security modules that enable sandboxing, secure boot, secure software updates and end-to-end message authentication. Nevertheless, insecure legacy ECUs are still in-use in modern vehicles due to price and design complexity issues. Legacy ECUs depend on simple microcontrollers, that lack any kind of hardware-based security. This makes it essential to bridge the gap between modern and legacy ECUs through software-based security by which cyber attacks can be mitigated, thus enhancing the security of vehicles. This paper provides one more step towards highly secure vehicles by introducing a lightweight software- based security framework which provides legacy ECUs with software-based virtualization and protection features along with custom security services. We discuss the motivation for pure software-based approaches, explore the various requirements and advantages obtained, and give an initial insight of the design rationale. Furthermore, we provide a proof of concept implementation and evaluation with a demonstrative use case illustrating the importance of such framework in delivering new diagnostics security services to legacy ECUs.
Damage center formation in SiO2 thin films by fast electron irradiation (1985)

The concentrations of E′ centers (ESR-active oxygen vacancies) produced by 30–160 keV electron irradiation have been measured in thermal SiO2 films at doses far exceeding any previously reported. The dependences of these concentrations on electron energy and fluence were measured in both steam-grown and dry oxides. Results indicated that ionization rather than atomic displacement is the predominant formation mechanism. Significant differences in dose dependence were found between oxide types, reflecting the role of hydrogen in damage annealing.
Heterogeneity of progesterone receptors A and B expression in human endometrial glands and stroma (2000)

The human progesterone receptor (PR) is expressed as two isoforms, PRA and PRB, which function as ligand-activated transcription factors. In-vitro studies suggest that the isoforms differ functionally and that their relative expression in a target cell may determine the nature and magnitude of response to progesterone. We have shown recently that PRA and PRB are co-expressed in target cells of the human endometrium. The purpose of this study was to investigate the homogeneity of expression of PRA and PRB in target cells of the human uterus throughout the menstrual cycle. In the functionalis, PRA and PRB were expressed in comparable levels in glandular epithelium during the proliferative phase of the cycle, whereas there was persistence of PRB but not PRA in the glands during mid-secretory phase. In the stroma, there was predominance of the PRA isoform throughout the cycle. There was remarkable homogeneity in the relative expression of PRA and PRB in adjacent cells within the same tissue compartment, suggesting that the mechanisms regulating relative PR isoform expression are similarly active in these cells. By contrast, heterogeneity between glands was observed under some circumstances in the functionalis of the endometrium, suggesting PR isoform down-regulation by progesterone to be asynchronous. Heterogeneity was also seen between the glands of the basalis and functionalis of the endometrium implying region-specific responses to hormonal stimuli. This study demonstrates adjacent cell homogeneity in the relative expression of PRA and PRB in normal human endometrial tissue and a differential response to ovarian steroid hormones between cell types and between different regions within the same tissue.
Pyridin‐, Quinolin‐ and Acridinylidene Palladium Carbene Complexes as Highly Efficient C–C Coupling Catalysts (2006)

Abstract A series of four new complexes bearing N‐heterocyclic carbene ligands (NHCs) as well as four compounds bearing N‐heterocyclic carbene ligands with remote heteroatoms ( r NHCs) of the general types [(NHC)(PPh 3 ) 2 PdCl] + BF 4 − and [( r NHC)(PPh 3 ) 2 PdCl] + BF 4 − , respectively, have been prepared in high yields. Crystal and molecular structures have been determined for four representative examples. These compounds proved to be efficient catalysts for aryl coupling reactions of the Heck and Suzuki types (reaching TONs of as high as 6,200,000). Both aryl bromides and aryl chlorides can be used as substrates. Like the well known mixed, standard (NHC)(phosphine) compounds, the new six‐numbered, one‐N‐heterocyclic carbene complexes (and in particular certain r NHC‐containing ones) also combine the advantageous stability of bis(carbene) and the high activity of bis(phosphine) complexes. Furthermore, their good catalytic performance and, especially, their easy synthesis based on cheap and commercially available starting materials, make them by far superior when compared to the mixed (NHC)(phosphine) catalysts known thus far.
CXCR4-Directed Imaging in Solid Tumors (2019)

Despite histological evidence in various solid tumor entities, available experience with CXCR4-directed diagnostics and endoradiotherapy mainly focuses on hematologic diseases. With the goal of expanding the application of CXCR4 theranostics to solid tumors, we aimed to elucidate the feasibility of CXCR4-targeted imaging in a variety of such neoplasms. <b>Methods:</b> Nineteen patients with newly diagnosed, treatment-naïve solid tumors including pancreatic adenocarcinoma or neuroendocrine tumor, cholangiocarcinoma, hepatocellular carcinoma, renal cell carcinoma, ovarian cancer, and prostate cancer underwent [<sup>68</sup>Ga]Pentixafor PET/CT. CXCR4-mediated uptake was assessed both visually and semi-quantitatively by evaluation of maximum standardized uptake values (SUV<sub>max</sub>) of both primary tumors and metastases. With physiologic liver uptake as reference, tumor-to-background ratios (TBR) were calculated. [<sup>68</sup>Ga]Pentixafor findings were further compared to immunohistochemistry and [<sup>18</sup>F]FDG PET/CT. <b>Results:</b> On [<sup>68</sup>Ga]Pentixafor PET/CT, 10/19 (52.6%) primary tumors were visually detectable with a median SUV<sub>max</sub> of 5.4 (range, 1.7-16.0) and a median TBR of 2.6 (range, 0.8-7.4), respectively. The highest level of radiotracer uptake was identified in a patient with cholangiocarcinoma (SUV<sub>max</sub>, 16.0; TBR, 7.4). The relatively low uptake on [<sup>68</sup>Ga]Pentixafor was also noted in metastases, exhibiting a median SUV<sub>max</sub> of 4.5 (range, 2.3-8.8; TBR, 1.7; range, 1.0-4.1). A good correlation between uptake on [<sup>68</sup>Ga]Pentixafor and histological derived CXCR4 expression was noted (<i>R</i> = 0.62, <i>P</i> < 0.05). In the 3 patients in whom [<sup>18</sup>F]FDG PET/CT was available, [<sup>68</sup>Ga]Pentixafor exhibited lower uptake in all lesions. <b>Conclusions:</b> In this cohort of newly diagnosed, treatment-naïve patients with solid malignancies, CXCR4 expression as detected by [<sup>68</sup>Ga]Pentixafor-PET/CT and immunohistochemistry was rather moderate. Thus, CXCR4-directed imaging may not play a major role in the management of solid tumors in the majority of patients.
Design, Development and Comparison of two Different Measurements Devices for Time-Resolved Determination of Phase Shifts of Bioimpedances (2020)

Bioimpedance measurements are a non-invasive method to determine the composition of organic tissue. For measuring the complex bioimpedance between two electrodes, an alternating current with a constant amplitude is injected into the tissue. The developed voltage drop is used to calculate the real and imaginary part of the impedance under test. Measurements in the past indicated that it could be possible that the beating of the heart has an effect on the measured phase shift of the impedance under test. In this work a hardware system is developed, capable of measuring changes of the bioimpedance phase shift with high resolution. Two different measurement methods are used. The first method is an analog circuit, which has been developed in a previous project. The other method uses the integrated circuit AFE4300 (Texas Instruments) [1]. The results of both methods are transmitted with a microcontroller (Xmega256A3BU from Atmel Corp.) via the USB interface to a host PC. On the host PC the visualization of the measurements and the control of the embedded system is achieved with a developed LabView program. The work includes the development of the hardware and software, as well as a comparison of the accuracy of the two measurement methods. The result of a verification of the systems is that both measurement methods have an effective resolution of about 0.3°.
BFIM: Performance Measurement of a Blockchain Based Hierarchical Tree Layered Fog-IoT Microservice Architecture (2021)

Fog computing complements cloud computing by removing several limitations, such as delays and network bandwidth. It emerged to support Internet of Things (IoT) applications wherein its computations and tasks are carried out at the network's edge. Heterogeneous IoT devices interact with different users throughout a network. However, data security is a crucial concern for IoT, fog and cloud network ecosystems. Since the number of anonymous users increases and new identity disclosures occur within the IoTs, it is becoming challenging to grow mesh networks to deliver end to end communications, as the extended IoT networks resemble a mesh architecture. To reinforce data security over IoTs, we deploy a microservice-based blockchain mechanism for fogs, which works as a decentralized client-server network medium (i.e., secured end device-based communication). We implement a blockchain equipped security scheme to be used with a fog-IoT hierarchical tree-based overlay mesh architecture to address and develop the network performance issues. In this study, we consider encryption and decryption delays from IoT and fog-integrated parts to monitor data records and compare them through the developed security scheme. The blocks of a blockchain offer the desired execution results mainly in terms of the algorithmic efficiency, which correlates with the existing algorithms, namely the Advanced Encryption Standard (AES), the Rivest Shamir Adleman (RSA), and the Data Encryption Standard (DES). Our `BFIM' scheme has an enhanced task scheduling capacity and a more efficient throughput than the AES, DES, RSA resource deliverables (i.e., tasks). Our comprehensive performance evaluation implies that the Blockchain-based Fog IoT Microservice (i.e., BFIM) architecture provides a task delivery efficiency of 78.79% (i.e., task deliverable) and a service delivery efficiency of 83.24% (i.e., task scheduling). The `BFIM' also has an overall process delivery efficiency of 75% (i.e., time delay, throughput) in the fog layer, rather than a central cloud layer running the AES, DES, and RSA algorithms.
Principles of Calcite Dissolution in Human and Artificial Otoconia (2014)

Human otoconia provide mechanical stimuli to deflect hair cells of the vestibular sensory epithelium for purposes of detecting linear acceleration and head tilts. During lifetime, the volume and number of otoconia are gradually reduced. In a process of degeneration morphological changes occur. Structural changes in human otoconia are assumed to cause vertigo and balance disorders such as benign paroxysmal positional vertigo (BPPV). The aim of this study was to investigate the main principles of morphological changes in human otoconia in dissolution experiments by exposure to hydrochloric acid, EDTA, demineralized water and completely purified water respectively. For comparison reasons artificial (biomimetic) otoconia (calcite gelatin nanocomposits) and natural calcite were used. Morphological changes were detected in time steps by the use of environmental scanning electron microscopy (ESEM). Under in vitro conditions three main dissolution mechanisms were identified as causing characteristic morphological changes of the specimen under consideration: pH drops in the acidic range, complex formation with calcium ions and changes of ion concentrations in the vicinity of otoconia. Shifts in pH cause a more uniform reduction of otoconia size (isotropic dissolution) whereas complexation reactions and changes of the ionic concentrations within the surrounding medium bring about preferred attacks at specific areas (anisotropic dissolution) of human and artificial otoconia. Owing to successive reduction of material, all the dissolution mechanisms finally produce fragments and remnants of otoconia. It can be assumed that the organic component of otoconia is not significantly attacked under the given conditions. Artificial otoconia serve as a suitable model system mimicking chemical attacks on biogenic specimens. The underlying principles of calcite dissolution under in vitro conditions may play a role in otoconia degeneration processes such as BPPV.