gebhart/patrepeval huggingface dataset:
Cell Behavior Changes and Enzymatic Biodegradation of Hybrid Electrospun Poly(3‐hydroxybutyrate)‐Based Scaffolds with an Enhanced Piezoresponse after the Addition of Reduced Graphene Oxide (2022)

This is the first comprehensive study of the impact of biodegradation on the structure, surface potential, mechanical and piezoelectric properties of poly(3-hydroxybutyrate) (PHB) scaffolds supplemented with reduced graphene oxide (rGO) as well as cell behavior under static and dynamic mechanical conditions. There is no effect of the rGO addition up to 1.0 wt% on the rate of enzymatic biodegradation of PHB scaffolds for 30 d. The biodegradation of scaffolds leads to the depolymerization of the amorphous phase, resulting in an increase in the degree of crystallinity. Because of more regular dipole order in the crystalline phase, surface potential of all fibers increases after the biodegradation, with a maximum (361 ± 5 mV) after the addition of 1 wt% rGO into PHB as compared to pristine PHB fibers. By contrast, PHB-0.7rGO fibers manifest the strongest effective vertical (0.59 ± 0.03 pm V<sup>-1</sup> ) and lateral (1.06 ± 0.02 pm V<sup>-1</sup> ) piezoresponse owing to a greater presence of electroactive β-phase. In vitro assays involving primary human fibroblasts reveal equal biocompatibility and faster cell proliferation on PHB-0.7rGO scaffolds compared to pure PHB and nonpiezoelectric polycaprolactone scaffolds. Thus, the developed biodegradable PHB-rGO scaffolds with enhanced piezoresponse are promising for tissue-engineering applications.
Identification and Characterization of an Endo/exonuclease in Pneumocystis carinii that is Inhibited by Dicationic Diarylfurans with Efficacy Against Pneumocystis Pneumonia (1998)

Dicationic diarylfurans and dicationic carbazoles are under development as therapeutic agents against opportunistic infections. While their ability to bind to the minor groove of DNA has been established, the complete mechanism of action has not. We demonstrate here that an effective diarylfuran, 2,5-bis[4-(N-isopropylguanyl)phenyl]furan, inhibits an endo/exonuclease activity present in Pneumocystis carinii, Cryptococcus neoformans, Candida albicans, and Saccharomyces cerevisiae. This activity was purified from the particulate fraction of P. carinii. The enzyme requires Mg++ or Mn++, and shows preferences for single-over double stranded DNA and for AT-rich over GC-rich domains. A panel of 12 dicationic diarylfurans and eight dicationic carbazoles, previously synthesized, were evaluated for inhibition of the purified nuclease and for efficacy against Pneumocystis pneumonia in rats. Among the diarylfurans, potency of nuclease inhibition, in vivo antimicrobial activity, and DNA binding strength were all strongly correlated (p < 0.001). These findings suggest that one target for antimicrobial action of the diarylfurans may be a nucleolytic or other event requiring unpairing of DNA strands. Dicationic carbazoles which were strong nuclease inhibitors all displayed anti-Pneumocystis activity in vivo, but there were also noninhibitory carbazoles with in vivo efficacy.
Simultaneous localization and mapping (SLAM) for automotive using forward looking radar (2015)

Localization is the process of finding ones relation to the surrounding stationary objects, and mapping is the process of determining the relation between the stationary objects. Mapping requires a sensing technique, and in addition to that a known (or estimated) location. If we neglect the possibility of external support such as GPS or street maps and instead consider localization using ranging sensors, we are facing two strongly interconnected problems that needs to be solved simultaneously. We have investigated the possibility to perform SLAM (simultaneous localization and mapping) in automotive using a forward-looking radar, primarily designed for ACC (adaptive cruise control) and PCS (pre-crash safety). Our positioning is not only relying on the inertial measurements speed and yaw-rate from the vehicle, but also incorporates radar measurements and performs extended Kalman filter SLAM (EKF-SLAM). Using collected data from a single forward-looking radar, we have shown that it is possible to enhance the positioning performance without support from GPS. The heading of the vehicle was drifting as yaw-rate error accumulated, but when adding EKF-SLAM we mitigated this problem. However, this system was very sensitive to parameter settings, as well as radar misalignment, and needs a thorough on-line calibration. Robustness can be achieved by increasing the field of view or having side-looking radars.
Electron paramagnetic resonance study of type-II silicon clathrate with low sodium guest concentration (2020)

An electron paramagnetic resonance (EPR) study of type-II silicon (Si) clathrate with low sodium (Na) guest concentration provides insights into the properties of this cagelike Si allotrope and into Na as an $n$-type dopant. An EPR line arising from unterminated Si bonds in a disordered Si phase is identified in the system. The presence of this amorphouslike component helps explain the thermally activated, hopping-related conductivity that has long been observed in the system but which has been poorly understood. This study also identifies ``superhyperfine'' lines surrounding each Na hyperfine line due to interactions of the donor electron with a $^{29}\mathrm{Si}$ nucleus on the cage and confirms the identification of hyperfine lines due to interactions of two neighboring Na nuclei. Analysis of the strength of these interactions shows that the electron wave function associated with the Na donor extends onto surrounding cages consistent with identification of Na as a shallow donor, and provides quantitative evidence of Na clustering.
High-Pressure Phase Behavior of Carbon Dioxide with Imidazolium-Based Ionic Liquids (2004)

Previously we have shown that supercritical carbon dioxide can be used to extract organics from ionic liquids (ILs). Subsequently, ionic liquids/carbon dioxide biphasic solutions have been used for a variety of homogeneously catalyzed reactions. Therefore, an understanding of the phase behavior of carbon dioxide with ionic liquids is needed to design extraction and reaction processes necessary for these applications. We present measurements of the solubility of carbon dioxide in 10 different imidazolium-based ionic liquids at 25, 40, and 60 °C and pressures to 150 bar. As expected, the solubility increases with increasing pressure and decreases with increasing temperature for all the ILs investigated. To investigate the influence of the anion, seven of the ILs studied have 1-butyl-3-methylimidazolium ([bmim]) as the cation. The anions are dicyanamide ([DCA]), nitrate ([NO3]), tetrafluoroborate ([BF4]), hexafluorophosphate ([PF6]), trifuoromethanesulfonate ([TfO]), bis(trifluoromethylsulfonyl)imide ([Tf2N]), and tris(trifluoromethylsulfonyl)methide ([methide]). The other ILs considered in the study, chosen to investigate the influence of varying number and length of alkyl chains on the cation, include 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([hmim][Tf2N]), 2,3-dimethyl-1-hexylimidazolium bis(trifluoromethylsulfonyl)imide ([hmmim][Tf2N]), and 1-octyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([omim][Tf2N]). Results show that the solubility of carbon dioxide is strongly dependent on the choice of anion. In particular, CO2 solubility is greater in ILs with anions, such as [Tf2N] and [methide], which contain fluoroalkyl groups. Also, we observe that an increase in the alkyl chain length on the cation increases the CO2 solubility marginally.
High Number of Activated CD8+ T Cells Targeting HIV Antigens Are Present in Cerebrospinal Fluid in Acute HIV Infection (2017)

These results suggest that CSF CD8 T cells in AHI expanding in the CNS are functional and directed against HIV antigens. These cells could thus play a beneficial role protective of injury seen in chronic HIV infection if combination antiretroviral therapy is initiated early.
Effect of Roughness on Emittance of Potassium Cesium Antimonide Photocathodes (2013)

Here we present first measurements of the effect of roughness on the emittance of K2CsSb photocathodes under high fields. We show that for very thin cathodes the effect is negligible at up to 3 MV/m but for thicker and more efficient cathodes the effect becomes significant. We discuss ways to modify the deposition to circumvent this problem.
Properties of Self-Assembled Hybrid Organic Molecule/Quantum Dot Multilayered Structures (2014)

Hybrid nanostructures are attractive for future use in a variety of electronic components. Self-assembled hybrid organic/nanocrystals can couple quantum properties to semiconductor working devices and modify their functionality. For example, light absorption in some core quantum dot (QD)-based self-assembled detectors induces a large dipole. These dipole moments may change the current of a shallow field effect transistor on which the QDs’ layer is assembled. In order to improve the absorption and quantum efficiency of such devices, multiple self-assembled layers are used. In such layers the charge transfer, excitonic energy transfer, surface trap passivation, and oxidation mechanisms are not fully understood. Therefore, establishing new tools for characterizing multilayer devices is essential. In the present work we have used confocal fluorescence microscopy to examine the photophysical properties of multilayered self-assembled organic molecules and QDs. We studied the interlayer coupling and surface-related mechanisms. By changing the coupling molecules and using photoinduced processes that gradually change the system, we were able to compare different binding groups and molecules under different conditions. Importantly, we found that in layered structures the binding group greatly contribute to the electronic coupling and luminescence, a contribution stronger than the linker’s molecular length. Consequently, we propose that proper illumination of core QD-based detectors be used for activation and yield improvement.
Anti-Angiogenesis and RGD-Containing Snake Venom Disintegrins (2007)

Angiogenesis is the fundamental process by which new blood vessels are formed. Extensive research has shown that this event can be co-opted by tumors to ensure their growth, survival and metastasis. The study of tumor angiogenesis therefore represents a promising area of research for development of anti-cancer therapeutics. Integrins, a family of cell surface molecules, are a major target of interest as they are known to play a vital role in pathological angiogenesis. Remarkably, small disulfide-rich peptides known as disintegrins, isolated from the venoms of various snake species have been found to bind integrins with extremely high affinity and block their function. Disintegrins are capable of inhibiting several aspects of tumor cell behavior both in vitro and in vivo, including adhesion, migration, invasion, metastasis and angiogenesis. In this review, we will briefly discuss tumor angiogenesis and molecules implicated in the angiogenic process, with a special focus on the role of integrins. We will also discuss therapeutic approaches towards the treatment of tumor angiogenesis, including non-integrin-targeted agents currently in clinical trials. We will summarize the major findings from studies using disintegrins to target integrin-associated angiogenesis in cancer models. Finally, we will present results obtained in our laboratory using the novel dimeric disintegrin, contortrostatin (CN), in studies of endothelial cells and models of breast, ovarian and prostate cancer. In summary, disintegrins represent an exciting new class of molecules that can potentially be used in a clinical setting to inhibit angiogenesis and augment conventional chemotherapeutic agents in the treatment of cancer.
Single Molecule and Shpolskii Spectroscopy of Terrylene in a Series of N-Alkanes (1996)

Abstract We present a study of terrylene in a series of n-alkane matrices with increasing chain length, namely dodecane, tetradecane and hexadecane. Shpolskii absorption spectra provide the macroscopic characterization of the samples, such as site multiplicity, inhomogeneous line widths and positions. Based on this characterization the distributions of single molecule homogeneous line widths were measured in the maxima and in the wings of the inhomogeneous lines. The results indicate that in case of dodecane matrix the line broadening is caused by optical dephasing due to interaction with pseudolocal phonon modes. Exponential profile of temperature dependence of the line width gives the phonon energy of 23 cm−1. In cases of tetradecane and hexadecane matrices there is additional broadening present which we interpret as spectral diffusion. Further, we present a new method for collecting the single molecule fluorescence using a selfoc micro lens.
Comparative Evaluation of Thermochemical Liquefaction and Pyrolysis for Bio-Oil Production from Microalgae (2011)

Bio-oil is the liquid product of thermochemical liquefaction or pyrolysis of biomass. Thermochemical liquefaction (TCL) is a low temperature (250–350 °C) and high pressure (5–20 MPa) process particularly suited for high moisture feedstocks, whereas pyrolysis is accomplished at moderate to high temperatures (400–600 °C) and atmospheric pressure and requires drying of the feedstock. In this paper, we present experimental results that provide a critical comparison of TCL and slow pyrolysis processes for producing bio-oil from algae. TCL experiments were performed in a 1.8-L Parr reactor using algae slurry (80% moisture) and pyrolysis runs were carried out in an 8-L mild steel cubical reactor, using dried algal powder as received (∼4% moisture). Yields and composition of bio-oil, char, gases, and aqueous phase were evaluated and compared for TCL and pyrolysis. TCL resulted in higher bio-oil yields (∼41%), lower char yields (∼6.3%), and lower energy consumption ratio compared to pyrolysis, which resulted in 23–29% bio-oil, and 28–40% solids yields. Bio-oil obtained from TCL was found to have higher energy density and superior fuel properties such as thermal and storage stabilities, compared to pyrolysis bio-oil.
ChemInform Abstract: ORGANOFLUOROSILICATES IN ORGANIC SYNTHESIS. 7. SOLID STATE REACTIONS OF ORGANOPENTAFLUOROSILICATES WITH COPPER(I) AND COPPER(II) SALTS (1979)

Abstract Alkine (I) reagieren mit Trichlorsilan, Platinchlorwasserstoffsäure und Kaliumfluorid zu den Komplexen (II), die mit CuCl die Dimeren (III) geben.
Blood-Based DNA Methylation Biomarkers for Type 2 Diabetes: Potential for Clinical Applications (2018)

Type 2 diabetes (T2D) is a leading cause of death and disability worldwide. It is a chronic metabolic disorder that develops due to an interplay of genetic, lifestyle, and environmental factors. The biological onset of the disease occurs long before clinical symptoms develop, thus the search for early diagnostic and prognostic biomarkers, which could facilitate intervention strategies to prevent or delay disease progression, has increased considerably in recent years. Epigenetic modifications represent important links between genetic, environmental and lifestyle cues and increasing evidence implicate altered epigenetic marks such as DNA methylation, the most characterized and widely studied epigenetic mechanism, in the pathogenesis of T2D. This review provides an update of the current status of DNA methylation as a biomarker for T2D. Four databases, Scopus, Pubmed, Cochrane Central, and Google Scholar were searched for studies investigating DNA methylation in blood. Thirty-seven studies were identified, and are summarized with respect to population characteristics, biological source, and method of DNA methylation quantification (global, candidate gene or genome-wide). We highlight that differential methylation of the <i>TCF7L2, KCNQ1, ABCG1, TXNIP, PHOSPHO1, SREBF1, SLC30A8</i>, and <i>FTO</i> genes in blood are reproducibly associated with T2D in different population groups. These genes should be prioritized and replicated in longitudinal studies across more populations in future studies. Finally, we discuss the limitations faced by DNA methylation studies, which include including interpatient variability, cellular heterogeneity, and lack of accounting for study confounders. These limitations and challenges must be overcome before the implementation of blood-based DNA methylation biomarkers into a clinical setting. We emphasize the need for longitudinal prospective studies to support the robustness of the current findings of this review.
HLA-B Genotyping to Detect Carbamazepine-Induced Stevens-Johnson Syndrome: Implications for Personalizing Medicine (2005)

Preventing severe adverse drug reactions by identifying people at risk with a simple genetic test is the goal of many pharmacogenomic studies. Stevens-Johnson syndrome (SJS) and toxic epidermal necrolysis (TEN) are related, life-threatening cutaneous adverse reactions, most often caused by medication. The overall incidence and the commonly offending drugs vary among different ethnic populations. Susceptibility to such idiosyncratic reactions is thought to be genetically determined and immune mediated. Finding a strong genetic association between a particular human leukocyte antigen (HLA)-B allele and the reaction to a specific drug provides evidence that the pathogenesis of the severe cutaneous adverse drug reactions involves major histocompatibility complex-restricted presentation of a drug or its metabolites for T-cell activation. In the case of carbamazepine-induced SJS/TEN, the tight association of the HLA-B*1502 allele (sensitivity 100%, specificity 97% and odds ratio 2504) provides a plausible basis for further development of such a test to identify individuals at risk of developing this life-threatening condition.
A Simulation Study on the Fat Caused Chemical Shift Effects on the Magnetic Susceptibility Measurement of IONPs With Ultra-Short TEs (2018)

To study how the fat affects the quantification of magnetic susceptibility of iron oxide nanoparticles (IONPs) according to the chemical shift effects, especially at ultra-short echo times, simulation experiments were carried out in this paper. Numerical phantom of IONPs solutions with six different concentrations was designed. Magnetic resonance imaging signals with different fat fractions (ffs) were generated according to a multi-peak chemical shift model. Quantitative susceptibility mapping (QSM) was calculated, and the relationship between the QSM value and ff, as well as echo selection, is evaluated. The results show that streaking artifacts become more and more severe when ff increases, which makes QSM value overestimated. Shortened echo spacing time can reduce streaking artifacts with the same ff. These findings will benefit future clinical evaluations for quantification of iron in vivo.
The Unity of Physics and Poetry: H. C. Ørsted and the Aesthetics of Force (2008)

This article briefly outlines Ørsted's early aesthetic thought by placing it in the context of his affiliations with early German romanticism, and by examining the poetics and philosophy of language contained in a prize-winning essay on aesthetics that he wrote in 1796. Further, this article presents an example of how aesthetic and linguistic strategies in his writing helped shape the meaning of the theoretical terms utilized in his early scientific work. Toward this end, the focus of the article will be limited to a central passage from the first installment of his Kemiske Breve (Chemical Letters), which he published in 1798 at the age of twenty-one.
Nanopore extended field-effect transistor for selective single-molecule biosensing (2017)

There has been a significant drive to deliver nanotechnological solutions to biosensing, yet there remains an unmet need in the development of biosensors that are affordable, integrated, fast, capable of multiplexed detection, and offer high selectivity for trace analyte detection in biological fluids. Herein, some of these challenges are addressed by designing a new class of nanoscale sensors dubbed nanopore extended field-effect transistor (nexFET) that combine the advantages of nanopore single-molecule sensing, field-effect transistors, and recognition chemistry. We report on a polypyrrole functionalized nexFET, with controllable gate voltage that can be used to switch on/off, and slow down single-molecule DNA transport through a nanopore. This strategy enables higher molecular throughput, enhanced signal-to-noise, and even heightened selectivity via functionalization with an embedded receptor. This is shown for selective sensing of an anti-insulin antibody in the presence of its IgG isotype.Efficient detection of single molecules is vital to many biosensing technologies, which require analytical platforms with high selectivity and sensitivity. Ren et al. combine a nanopore sensor and a field-effect transistor, whereby gate voltage mediates DNA and protein transport through the nanopore.
Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-Based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation (2021)

<i>Candida albicans</i>, an opportunistic fungal pathogen, frequently colonizes immune-compromised patients and causes mild to severe systemic reactions. Only few antifungal drugs are currently in use for therapeutic treatment. However, evolution of a drug-resistant <i>C. albicans</i> fungal pathogen is of major concern in the treatment of patients, hence the clinical need for novel drug design and development. In this study, in vitro <i>screening</i> of novel putative pyrrolo[1,2-a]quinoline derivatives as the lead drug targets and in silico prediction of the binding potential of these lead molecules against <i>C. albicans</i> pathogenic proteins, such as secreted aspartic protease 3 (SAP3; 2H6T), surface protein β-glucanase (3N9K) and sterol 14-alpha demethylase (5TZ1), were carried out by molecular docking analyses. Further, biological activity-based QSAR and theoretical pharmacokinetic analysis were analyzed. Here, in vitro screening of novel analogue derivatives as drug targets against <i>C. albicans</i> showed inhibitory potential in the concentration of 0.4 µg for BQ-06, 07 and 08, 0.8 µg for BQ-01, 03, and 05, 1.6 µg for BQ-04 and 12.5 µg for BQ-02 in comparison to the standard antifungal drug fluconazole in the concentration of 30 µg. Further, in silico analysis of BQ-01, 03, 05 and 07 analogues docked on chimeric 2H6T, 3N9K and 5TZ1 revealed that these analogues show potential binding affinity, which is different from the therapeutic antifungal drug fluconazole. In addition, these molecules possess good drug-like properties based on the determination of conceptual Density Functional Theory (DFT)-based descriptors, QSAR and pharmacokinetics. Thus, the study offers significant insight into employing pyrrolo[1,2-a]quinoline analogues as novel antifungal agents against <i>C. albicans</i> that warrants further investigation.
Combination Nonviral Interleukin-2 Gene Immunotherapy For Head and Neck Cancer: From Bench Top to Bedside (2005)

The preclinical data provided proof of principle for matching a delivered IL-2 transgene with an immunostimulatory nonviral formulation to enhance intralesional production of therapeutic cytokines for the maximization of antitumor response. Human clinical trials have demonstrated this novel therapy to be safe in the human clinical setting. Phase II trials have been initiated to assess efficacy and feasibility as a single or combination therapy for head and neck cancer.