gebhart/patrepeval huggingface dataset:
Structure−Activity Relationships for a Series of Quinoline-Based Compounds Active against Replicating and NonreplicatingMycobacterium tuberculosis (2009)

Tuberculosis (TB) remains as a global pandemic that is aggravated by a lack of health care, the spread of HIV, and the emergence of multidrug-resistant TB (MDR-TB) and extensively drug-resistant TB (XDR-TB) strains. New anti-TB drugs are urgently required to shorten the long 6-12 month treatment regimen and to battle drug-resistant Mtb strains. We have identified several potent quinoline-based anti-TB compounds, bearing an isoxazole containing side-chain. The most potent compounds, 7g and 13, exhibited submicromolar activity against the replicating bacteria (R-TB), with minimum inhibitory concentrations (MICs) of 0.77 and 0.95 microM, respectively. In general, these compounds also had micromolar activity against the nonreplicating persistent bacteria (NRP-TB) and did not show toxicity on Vero cells up to 128 microM concentration. Compounds 7g and 13 were shown to retain their anti-TB activity against rifampin, isoniazid, and streptomycin resistant Mtb strains. The results suggest that quinoline-isoxazole-based anti-TB compounds are promising leads for new TB drug development.
Device physics of polymer light‐emitting diodes (1998)

This article reviews a device model for the current and light generation of polymer light-emitting diodes (PLEDs). The model is based on experiments carried out on poly(dialkoxy-p-phenylene vinylene) (PPV) devices. The transport properties of holes in PPV have been investigated with indium tin oxide (ITO)/PPV/Au hole-only devices. The hole current is dominated by bulk conduction properties of the PPV, in contrast to previous reports. As the hole current is space-charge limited, the hole mobility as a function of electric field E and temperature T can be directly determined. The hole mobility exhibits a field dependence ln(μ) ∼ ✓E as also has been observed from time-of-flight experiments in many molecularly doped polymers and amorphous glasses. For the zero-field hole mobility an activation energy of 0.48 eV is obtained. The electron conduction in PPV has been studied by using Ca/PPV/Ca electron-only devices. It appears that the electron current is strongly reduced by the presence of traps with a total density of 1018 cm−3. Combining the results of electron- and hole-only devices a device model for PLEDs is proposed in which the light generation is due to bimolecular recombination between the injected electrons and holes. It is calculated that the unbalanced electron and hole transport gives rise to a bias-dependent efficiency. By comparison with experiment it is found that the recombination process in PPV is for 95% nonradiative. Furthermore, the experiments reveal that the bimolecular recombination process is thermally activated with an identical activation energy as measured for the charge carrier mobility. This demonstrates that the recombination process is of the Langevin-type, in which the rate-limiting step is the diffusion of electrons and holes towards each other. The occurrence of Langevin recombination explains why the conversion efficiency (photon/carrier) of a PLED is temperature independent. © 1998 John Wiley & Sons, Ltd.
Raw starch-digestive chitin-immobilized amylase from a protease- glycosidase-less mutant of Aspergillus awamori var. kawachi. (1982)

The α-amylase and glucoamylase produced by a protease-, glycosidase-less mutant HF-15 of Aspergillus awamori var. kawachi were found to be adsorbable onto chitin. This adsorption was pH-independent, different from the adsorption onto raw corn starch. The binding between amylases and chitin was so tight that a chitin-immobilized amylase was obtained without the aid of a cross linking agent, glutaraldehyde, and it retained more than 90% of the original activity of the free enzyme. The immobilized amylase digested gelatinized potato starch, glycogen and even raw corn starch to the same high extent as glucose similar to the free enzyme, but it was different from the unbound crude enzyme in the lack of transglucosidase activity, and slightly different in pH- and thermo-stabilities. An experiment using the immobilized amylase for alcohol fermentation demonstrated the possibility of recycling the enzyme for raw starch saccharification.
High-Speed Photography of Excimer Laser Ablation of the Cornea (1987)

We have used laser-based high-speed photography to investigate excimer laser ablation of the cornea. Photographs of the ablation plume were obtained 500 ns to 150 microseconds after incidence of a 193- or 248-nm excimer laser pulse on the surface of the cornea. Ejection of material from the cornea begins on a time scale of nanoseconds and continues for 5 to 15 microseconds following the excimer pulse. At 193 nm the ablation plume resembles a burst of smoke, and individual particles are too small to be optically resolved with our apparatus. At 248 nm the plume resembles a spray of larger, discrete droplets. Material is ejected from the cornea at supersonic velocity but decelerates rapidly; the velocity for the first 500 ns following the excimer pulse averages 400 m/s at 193 nm. Plume size and velocity increase with increasing fluence.
Aircraft-Borne Lightning Sensor (1983)

An instrument is described that has been used to measure the spatial and temporal distributions of lightning strokes as seen from a high-altitude aircraft platform. It consists of two separate sensors. One has a lens, selectable filters, and a 50 X 50 element array of photodiodes. The second has an identical lens, filters, and a single detector that covers the same total field of view.
Prognostic Factors and Therapeutic Decisions in Axillary Node-Negative Breast Cancer (1993)

The incidence of node-negative breast cancer is increasing, and it is becoming a more commonly encountered clinical problem. Prognostic factors such as tumor size, histopathological characteristics, receptor status, proliferative markers, biochemical alterations, and gene abnormalities can be useful in assessing the risk of cancer recurrence after primary local therapy. By accurately assessing the risk of recurrence, informed decisions can be made about whether or not to treat with adjuvant systemic therapy.
Relationship between Methylation of Adenine Near the 3′ End of 16‐S Ribosomal RNA and the Activity of 30‐S Ribosomal Subunits (1981)

The relationship between methylation of adenine near the 3' end of 16-S ribosomal RNA and the activity of 30-S ribosomal subunits has been studied using 30-S subunits from kasugamycin-sensitive and kasugamycin-resistant bacteria. Analysis of the proteins of 30-S subunits by gel electrophoresis showed that the content of protein S1 in 30-S subunits from a kasugamycin-resistant strain was smaller than that in 30-S subunits from the parent strain. Although polyphenylalanine-synthetic activity of 30-S subunits from a kasugamycin-resistant strain previously methylated by a methylase purified from Escherichia Q13 was nearly equal to that of untreated 30-S subunits, both phenylalanine-synthetic activity and the content of protein S1 in the 30-S particles reconstituted from 23-S core particles and split proteins from the kasugamycin-resistant strain increased by prior methylation of 23-S core particles by the methylase. These results suggest that methylation of adenine near the 3' end of 16-S rRNA induces an increase of polypeptide-synthetic activity by the acceleration of binding of protein S1 to S1-depleted 30-S subunits.
The dynamic nature of the kinome (2013)

Recent advances in proteomics have facilitated the analysis of the kinome 'en masse'. What these studies have revealed is a surprisingly dynamic network of kinase responses to highly selective kinase inhibitors, thereby illustrating the complex biological responses to these small molecules. Moreover these studies have identified key transcription factors, such as c-Myc and FOXO (forkhead box O), that play pivotal roles in kinome reprogramming in cancer cells. Since many kinase inhibitors fail despite a high efficacy of blocking their intended targets, elucidating kinome changes at a more global level will be essential to understanding the mechanisms of kinase inhibitor pharmacology. The development of technologies to study the kinome, as well as examples of kinome resilience and reprogramming, will be discussed in the present review.
Microscopic structure of interfaces inSi1−xGex/Si heterostructures and superlattices studied by x-ray scattering and fluorescence yield (1993)

The angular dependences of grazing-incidence x-ray scattering and Ge K\ensuremath{\alpha} fluorescence yield were measured for ${\mathrm{Si}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$${\mathrm{Ge}}_{\mathit{x}}$/Si and its inverted Si/${\mathrm{Si}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$${\mathrm{Ge}}_{\mathit{x}}$ heterostructures. The results reveal useful information on microstructures in these layered materials and show similar interfacial structures in terms of the rms interfacial roughness, correlation length of height fluctuations, and Ge density profile. Two ten-period superlattices with different thickness and Ge concentration were also investigated; correlation between height fluctuations of different interfaces is clearly demonstrated in the data of x-ray-diffuse scattering. These results show that x-ray scattering and fluorescence techniques can be employed as convenient tools for nondestructive characterization of epilayer thickness, interfacial roughness, density profile of selected atomic species, and correlations between microstructures of different interfaces in layered materials.
Fatigue, rejuvenation and self-restoring in ferroelectric thin films (1995)

Abstract The switching, fatigue and rejuvenation phenomena of ferroelectric PZT thin films with differently processed electrode-PZT interfaces and of different thicknesses have been investigated. The ferroelectric contribution to the switching parameters has been isolated from the leakage current contribution, thus allowing the identification of several salient features of the above phenomena. Incorporating our present results with already established properties of PZT thin films, a set of characteristic features of switching, fatigue and rejuvenation is formulated. This set is interpreted using a framework which takes into account the ferroelectric and semiconductor properties of the system. The key issues of the framework are: (i) Strong inhomogeneous built-in electric field exists in virgin films due to contact phenomena. (ii) Extra near-electrode space-charge layers are created during polarization reversal and destroyed by d.c. rejuvenating fields or by the field of fatiguing pulses. (iii) The built-in electric field is affected by these space-charge layers and then, in its turn, governs the evolution of the switching parameters (remanent-polarization, coercive field) of the film during fatigue and rejuvenation. (iv) Near-electrode nucleation of opposite domains is believed to create the extra near-electrode space-charge layers. Therefore, this nucleation seems to be responsible for the fatigue and for the sensitivity of fatigue to the surfacial properties of the film. This approach explains the thickness dependence of the coercive field, the variation of remanent polarization and coercive field with the number of switching cycles, and the rejuvenation phenomena including self-restoring.
‘Balanced analgesia’ in the perioperative period: is there a place for ketamine? (2001)

We investigated whether intraoperative 'subanesthetic doses' of ketamine have a postoperative anti-hyperalgesic and an analgesic effect and which is the preferential route of administration, either systemic (intravenous, i.v.) or epidural. One hundred patients scheduled for rectal adenocarcinoma surgery under combined epidural/general anesthesia were included. Before skin incision all the patients received an epidural bolus followed by an infusion of continuous bupivacaine/sufentanil/clonidine mixture. They were randomly assigned to receive no ketamine (group 1), i.v. ketamine at the bolus dose of 0.25 mg/kg followed by an infusion of 0.125 mg/kg per h (group 2), 0.5 mg/kg and 0.25 mg/kg per h (group 3), epidural ketamine 0.25 mg/kg and 0.125 mg/kg per h (group 4), or 0.5 mg/kg and 0.25 mg/kg per h (group 5). All i.v. and epidural analgesics were stopped at the end of surgery and patients were connected to an i.v. morphine patient-controlled analgesia (PCA) device. Short-term postoperative analgesia (72 h) was assessed by pain visual analog scale scores at rest, cough, and movements as well as by PCA requirements. Wound mechanical hyperalgesia was evaluated and residual pain was assessed by asking the patients at 2 weeks, and 1, 6, and 12 months. The area of hyperalgesia and morphine PCA requirements were significantly reduced in group 3. These patients reported significantly less residual pain until the sixth postoperative month. These observations support the theory that subanesthetic doses of i.v. ketamine (0.5 mg/kg bolus followed by 0.25 mg/kg per h) given during anesthesia reduce wound hyperalgesia and are a useful adjuvant in perioperative balanced analgesia. Moreover, they show that the systemic route clearly is the preferential route.
Wavelength-addressed optical network using an ATM cell-based access scheme (1993)

Recently, requirements have been increasing for large-throughput ATM cell-based networks, such as transfer networks1 and LAN’s.2 However, pursuing larger throughput only by improving transmission speed cannot satisfy future requirements. WDM optical networks are promising for increasing throughput. For effective utilization of this enlarged throughput, a ring topology with appropriate fairness control (e.g., Ref. 2) is preferable to a star topology3 because of the latter’s inevitably complicated contention-free access control that imposes a delay on each cell. In this paper a WDM ring optical network for ATM signals with high throughput and a simple access protocol is proposed.
In SilicoFunctional Profiling of Small Molecules and Its Applications (2008)

In silico screening is routinely used in the drug discovery process to predict whether each molecule in a database has a function of interest, such as inhibitory activity for a target protein. However, drugs generally have multiple functions including adverse effects. In order to obtain small molecules with desirable physiological effects, it is useful to simultaneously predict as many functions as possible. We employed Support Vector Machine to build classification models for 125 molecular functions, derived from the MDDR database, which showed higher kappa statistics (0.775 on average) than those of predictions by Tanimoto similarity (0.708). By analyzing the patterns of the predicted values (functional profiles) of 871 marketed drugs, we demonstrated its applications to indication discovery, clustering of drugs, and detection of molecular actions related to adverse effects. The results showed that functional profiling can be a useful tool for identifying the multifunctionality or adverse effects of small molecules.
Overexpression of p21WAF1/CIP1 induces growth arrest, giant cell formation and apoptosis in human breast carcinoma cell lines. (1995)

The p21WAF1/CIP1 protein was shown to be a critical downstream effector of p53 and a potent inhibitor of cyclin-dependent kinases. We investigated the effects of exogenous p21WAF1/CIP1 in two different human breast carcinoma (HBC) cell lines MCF-7 and T47D. p21WAF1/CIP1 transfected cells formed significantly reduced number of drug-resistant colonies than their mock-transfected counterparts. The majority of the p21WAF1/CIP1 transfected MCF-7 cells acquired 50-100-fold increase in their sizes and persisted as single giant cells for several days without cell division, while the remainder underwent nuclear division (multiple nuclei) but were unable to complete cytokinesis, and finally all succumbed to apoptosis. Only few p21WAF1/CIP1 transfected T47D cells displayed increase in their sizes while a number of them formed small sized drug-resistant colonies which diminished in size due to cell death. The cells in these shrinking colonies exhibited characteristic signs of apoptosis such as chromatin condensation and fragmented nuclei while their membrane integrity was preserved. Thus in HBC cell lines the growth suppression due to enforced overexpression of p21WAF1/CIP1 is associated with giant cell formation and apoptosis.
Cotranslational and Posttranslational Protein Translocation in Prokaryotic Systems (1986)

Cells organize many of their biochemical reactions in non-membrane compartments. Recent evidence has shown that many of these compartments are liquids that form by phase separation from the cytoplasm. Here we discuss the basic physical concepts necessary ...Read More
LIPID-BASED VEHICLE FOR ORAL DRUG DELIVERY (2001)

With an increasing number of lipophilic drugs under development, homolipids and heterolipids have gained renewed interests as excipients for oral drug delivery systems. Oral administration has many advantages for chronic drug therapy. It is relatively safe, convenient for the patient and allows self administration. This article is not intended to review the broad area of lipid-based vehicle for oral drug delivery comprehensively. The rationale behind choosing lipids materials for pharmaceutical dosage forms and their applications is discussed. It also comments on the methods for monitoring the physicochemical properties of vehicles and formulations and describes a range of pharmacopoeial excipients suitable for these purposes. The excipients selected here are pharmacopoeial in European Pharmacopoeia 4th Ed., United States Pharmacopoeia 24th Ed./National Formulary 19th Ed. and Japanese Pharmacopoeia 13th Ed. or are drafted in Pharmaeuropa and Pharmacopoeial Forum. Widening availability of lipidic excipients with specific characteristics offer flexibility of application with respect to improving the bioavailability of poorly water-soluble drugs and manipulating release profiles.
A Simple Printed Circuit Board–Based Ion Funnel for Focusing Lowm/zRatio Ions with High Kinetic Energies at Elevated Pressure (2019)

Ion funnels are one of the key components for transferring ions from higher pressure into the vacuum. Typically, ion funnels are constructed of several different plate ring electrodes with a decreasing inner diameter where radio frequency (RF) voltages and electric DC fields are applied to the electrodes to focus and transport ion clouds. In this work, we developed and investigated a simple and low-cost ion funnel design that is based on standard printed circuit boards (PCB) with integrated planar electrodes including the signal distribution network. This ion funnel is capable of withstanding high electric fields with superimposed RF voltages due to its buried capacitors. To evaluate the ion focusing efficiency of the ion funnel, we simulated the movement of ions inside this funnel and experimentally evaluated the ion transfer. Our simulations show that a rectangular ion funnel like the PCB ion funnel has similar performance compared with conventional stacked ring funnels. Due to the hundredfold lower parasitic capacitance between the planar electrodes compared with conventional ion funnels, high RF voltage amplitudes up to 195 V and reduced electric DC field strengths up to 100 Td can be reached at a frequency of about 5 MHz. Thus, the funnel is appropriate to focus light ions at elevated pressures up to 20 mbar. Graphical Abstract .
Exciton Fission and Fusion in Bis(tetracene) Molecules with Different Covalent Linker Structures (2007)

Bichromophoric molecules can support two spatially separated excited states simultaneously and thus provide novel pathways for electronic state relaxation. Exciton fission, where absorption of a single photon leads to two triplet states, is a potentially useful example of such a pathway. In this paper, a detailed study of exciton fission in three novel phenylene-linked bis(tetracene) molecules is presented. Their spectroscopy is analyzed in terms of a three-state kinetic model in which the singlet excited state can fission into a triplet pair state, which in turn undergoes recombination on a time scale longer than the molecule's radiative lifetime. This model allows us to fit both the prompt and delayed fluorescence decay data quantitatively. The para-phenylene linked bis(tetracene) molecules 1,4-bis(tetracen-5-yl)benzene (1) and 4,4'-bis(tetracen-5-yl)biphenylene (2) show intramolecular exciton fission with yields of approximately 3%, whereas no delayed fluorescence is observed for tetracene or the meta-linked molecule 1,3-bis(tetracen-5-yl)benzene 3. Analysis of the temperature-dependent fluorescence dynamics yields activation energies for fission of (10.0 +/- 0.6) kJ/mol for 1 and (4.1 +/- 0.5) kJ/mol for 2, with Arrhenius prefactors of (1.48 +/- 0.04) x 10(8) s(-1) for 1 and (1.72 +/- 0.02) x 10(7) s(-1) for 2. The observed trends in activation energies are reproduced by ab initio calculations of the independently optimized singlet and triplet energies. The calculations indicate that electronic coupling between the two tetracene units is primarily through-bond, allowing differences in fission rates to be qualitatively explained in terms of the linker structure as well. Our results show that it is important to consider the effects of the linker structure on both energy relaxation and electronic coupling in bichromophoric molecules. This study provides insight into the structural and energetic factors that should be taken into account in the design of exciton fission molecules for possible solar cell applications.
Ultrasound synthetic aperture imaging: monostatic approach (1994)

An ultrasound synthetic aperture imaging method based on a monostatic approach was studied experimentally. The proposed synthetic aperture method offers good dynamical resolution along with fast numerical reconstruction. In this study complex object data were recorded coherently in a two-dimensional hologram using a 3.5 MHz single transducer with a fairly wide-angle beam. Image reconstruction which applies the wavefront backward propagation method and the near-field curvature compensation was performed numerically in a microcomputer using the spatial frequency domain. This approach allows an efficient use of the FFT-algorithms. Because of the simple and fast scanning scheme and the efficient reconstruction algorithms the method can be made real-time. The image quality of the proposed method was studied by evaluating the spatial and dynamical resolution in a waterbath and in a typical tissue-mimicking phantom. The lateral as well as the range resolution (-6 dB) were approximately 1 mm in the depth range of 30-100 mm. The dynamical resolution could be improved considerably when the beam width was made narrower. Although it resulted in a slightly reduced spatial resolution this compromise has to be done for better resolution of low-contrast targets such as cysts. The study showed that cysts as small as 2 mm by diameter could be resolved.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
One Step Preparation of 1,4-Diketones from Methyl Ketones and α-Bromomethyl Ketones in the Presence of ZnCl2 · t-BuOH · Et2NR as a Condensation Agent (2000)

1,4-Diketones have been prepared in one step from methyl ketones and α-bromomethyl ketones under the action of ZnCl2 · t-BuOH · Et2NR as a condensation agent with moderate to high yields. The mechanistic pathway of the reaction is proposed to go through aldol condensation of ketones followed by 1,3-dehydrobromination of aldol products and cleavage of activated cyclopropyl intermediates.