gebhart/patrepeval huggingface dataset:
Dual-Pathway Kinetics Assessment of Sulfur Poisoning of the Hydrogen Oxidation Reaction at High Surface-Area Platinum/Vulcan Carbon Electrodes (2009)

The kinetics of the hydrogen oxidation reaction (HOR) were measured at high surface-area platinum/Vulcan carbon (Pt/VC) films before and after exposure to aqueous solutions of either sodium sulfide or mercaptopropionic acid (MPA, ) using rotating disk electrode (RDE) voltammetry. At 45–90% blocking of surface Pt atoms by inorganic sulfur, sulfur appears to adsorb as oligomerized sulfur . Current–potential RDE data for the HOR at -exposed Pt/VC films were fitted to a recently developed dual-pathway kinetics model. At a submonolayer coverage of surface Pt atoms, the exchange current densities for the potential-independent Tafel–Volmer pathway, or two-site HOR pathway, decrease by about –50-fold compared to electrochemically cleaned Pt/VC films. Exchange current densities for the single-site, potential-dependent Heyrovsky–Volmer pathway decrease by comparable factors at the same levels of sulfur exposure. The potential-range constant γ increases in the presence of adsorbed . The exposure of Pt/VC to aqueous solutions of MPA, an organosulfur species, results in similarly diminished HOR exchange current densities at Pt/VC, as observed for exposure, but yields higher values of γ. The model is sufficiently sensitive to delineate the effects of different catalyst poisons on HOR kinetics at carbon-supported nanoscopic Pt.
The protected working capacity envelope concept: an alternate paradigm for automated service provisioning (2004)

At present we see only one basic approach being considered by implementors and standards organizations for provisioning of dynamic protected lightpath services that make efficient use of shared protection capacity. This is the paradigm of a primary working path protected end-to-end by a disjoint backup path using shared spare capacity. Sharing is arranged among the backup paths associated with other primary paths that are failure-disjoint from the current primary path. This approach called shared backup path protection (SBPP) has many advantages but also provides a great deal of network state information to be available and current in every node. It also makes the arrangement of protection a per-connection task, rather than user-selectable service option supported by the network itself. We propose an alternative paradigm for consideration, partly summed up as provisioning over protected capacity rather than provisioning protection. Under a given distribution of spare capacity, locally acting protection or restoration schemes create an "envelope" of protected working channels. Dynamic provisioning within this envelope is simplified to a shortest path routing problem and (depending on the mode of operation) requires little or no dissemination of state changes on a per-connection basis. We explain how existing "static" capacity design methods can be adopted to the dimensioning of such a working capacity envelope and the envelope dimensions further adapted online to track evolution of the overall pattern of random demand. An important property is that nothing needs to be done to arrange protection for services on the per-connection timescale other than routing the service itself. Arbitrarily fast-paced demand arrivals and departures can be accommodated within a static distribution of spare capacity. Adjustments to the envelope itself are required only on the timescale on which the statistical parameters of the random demand changes. This may provide an inherently more scalable, less database-dependent, and higher-availability alternative than SBPP, or at least an additional service modality that can be offered to customers.
Computer generation of dense polydisperse sphere packings (2002)

We present an extension of the Lubachevsky and Stillinger [J. Stat. Phys. 60, 561 (1990)] packing algorithm to generate packings of polydisperse spheres. The original Lubachevsky–Stillinger algorithm is a nonequilibrium protocol that allows a set of monodisperse spheres to grow slowly over time eventually reaching an asymptotic maximum packing fraction. We use this protocol to pack polydisperse spheres in three dimensions by making the growth rate of a sphere proportional to its initial diameter. This allows us to specify a size distribution of spheres, which is then preserved throughout the growth process (except the mean diameter increases). We use this method to study the packing of bidisperse sphere systems in detail. The packing fractions of the configurations generated with our method are consistent with both previously generated experimental and simulated packings over a large range of volume ratios. Our modified Lubachevsky–Stillinger protocol, however, extends the range of sphere volume ratios well beyond that which has been previously considered using simulation. In doing so, it allows both small volume ratios and large volume ratios to be studied within a single framework. We also show that the modified Lubachevsky–Stillinger algorithm is appreciably more efficient than a recursive packing method.
Diagnosis of Gastroesophageal Reflux Disease in General Practice: A Belgian National Survey (2002)

There are major discrepancies between GP practice and national or international guidelines for GERD diagnosis. GPs clearly underused endoscopy in patients with alarm symptoms of GERD and in older patients with a new onset of GERD symptoms. GPs are more strongly influenced by the severity of symptoms than by the type of symptoms.
Dataset for: Frequency comb generation in a silicon ring resonator modulator (2018)

Dataset for the manuscript 'Frequency comb generation in a silicon ring resonator modulator' by Iosif Demirtzioglou, Cosimo Lacava, Kyle R. H. Bottrill, David J. Thomson, Graham T. Reed, David J. Richardson, and Periklis Petropoulos.The research data corresponds to the above-stated manuscript and it should be read and interpreted in the context of its published form. Each set of data describes a figure illustrated in the published manuscript and is accompanied by appropriate captions which correspond to the figure numbers, axis titles and legend entries stated in the manuscript.
A semi‐mechanistic model based on glutathione depletion to describe intra‐individual reduction in busulfan clearance (2020)

These results suggest that the time-dependent decrease in busulfan clearance may be related to gluthathione depletion. This effect increased with older age (>40 years) and was proportional to busulfan metabolism. The newly constructed semi-mechanistic model could be used to further improve TDM-guided exposure target attainment of busulfan in patients undergoing HCT.
The chemistry-medicine continuum: Synthetic, computer, spectroscopic and biological studies on new chemotherapeutic leads (1998)

Abstract
Monte Carlo simulations using PELE to identify a protein–protein inhibitor binding site and pose (2020)

<i>In silico</i> binding site location and pose prediction for a molecule targeted at a large protein surface is a challenging task. We report a blind test with two peptidomimetic molecules that bind the flu virus hemagglutinin (HA) surface antigen, JNJ7918 and JNJ4796 (recently disclosed in van Dongen <i>et al.</i>, <i>Science</i>, 2019, <b>363</b>). Tests with a series of conventional approaches such as rigid (receptor) docking against available X-ray crystal structures or against an ensemble of structures generated by quick methodologies (NMA, homology modeling) gave mixed results, due to the shallowness and flexibility of the binding site and the sheer size of the target. However, tests with our Monte Carlo platform PELE in two protocols involving either exploration of the whole protein surface (global exploration), or the latter followed by refinement of best solutions (local exploration) yielded remarkably good results by locating the actual binding site and generating binding modes that recovered all native contacts found in the X-ray structures. Thus, the Monte Carlo scheme of PELE seems promising as a quick methodology to overcome the challenge of identifying entirely unknown binding sites and modes for protein-protein disruptors.
On the Measurement of the Thermal Resistance of Vertical-External-Cavity Surface-Emitting Lasers (VECSELs) (2012)

Heat management is a key concern in the development of vertical-external-cavity surface-emitting lasers. Especially, high power systems are mainly limited by their heat transfer capabilities. A commonly used quantitative measure for the heat flow in such systems is the thermal resistance. So far, the thermal resistance is usually determined by evaluating the shift rates of the emission spectrum induced by varying the heat sink temperature and the input power. Yet, in multimode operation, the shift rates at the lower and the upper wavelength limit of the emission spectrum differ. In this paper, we will investigate the connection between the emission wavelength and the temperature profile inside the gain medium. We will show that the thermal resistance corresponding to the maximum pump spot temperature can only be obtained, by considering the shift rates at the long wavelength limit of the emission spectrum. Furthermore, we will show that the roll-over temperature is independent of the heat sink temperature. Based on this finding we present a novel technique, which enables the determination of the thermal resistance without the need for spectrally resolved measurements. The new technique surpasses the wavelength shift-based method both in terms of accuracy and measurement speed.
Absolute optimal time - frequency basis - a research tool (1997)

The paper presents a method for finding the absolute best basis out of the library of bases offered by the wavelet packet decomposition of a discrete signal. Data-adaptive optimality is achieved with respect to an objective function, e.g. minimizing entropy, and concerns the choice of the Heisenberg rectangles tiling the time - frequency domain over which the energy of the signal is distributed. It is also shown how optimizing a concave objective function is equivalent to concentrating maximal energy into a few basis elements. Signal-adaptive basis selection algorithms currently in use do not generally find the absolute best basis, and moreover have an asymmetric time - frequency adaptivity - although a complete wavepacket decomposition comprises a symmetric set of tilings with respect to time and frequency. The higher adaptivity in frequency than in time can lead to ignoring frequencies that exist over short time intervals (short as compared to the length of the whole signal, not to the period corresponding to these frequencies). Revealing short-lived frequencies to the investigator can bring up important features of the studied process, such as the presence of coherent (`persistent') structures in a time series.
Delayed matching-to-sample performance by rats in a new avoidance-motivated maze: Response to scopolamine and fimbria-fornix lesions (1992)

A new avoidance-motivated detour-maze in which memory for an immediately preceding sample event could be assessed was evaluated by testing seven 6-month-old male F-344 rats with a delayed matching-to-sample (DMTS) paradigm. Rats first received extensive pretraining with this paradigm over several months and after a minimum of 1,390 choice-trials demonstrated great proficiency in this maze. Studies were then conducted to establish cholinergic and hippocampal involvement in the DMTS task by using drug manipulations (scopolamine and physostigmine), and after lesions to the fimbria-fornix (FF) pathway. A high dose (1.0 mg/kg) of scopolamine but not a low dose (0.3 mg/kg) significantly interfered with choice accuracy as measured by errors and trials to criterion; physostigmine (0.01 and 0.03 mg/kg) had no significant effect; and fimbria lesions significantly disrupted both choice accuracy and runtime performance. Disruption was most pronounced on difficult problems (different paths to the goal). After lesions only, considerable within-trial perseverative errors occurred during the early postlesion weeks on four difficult problems from among the 18 tested. Results were discussed in terms of (a) specificity of this disruption, (b) indications of proactive interference effects, and (c) the movement-related excitation component of maze learning. The present results accord with earlier findings of disruption by scopolamine and FF lesions in a 14-unit T-maze, both mazes having similar performance requirements of shock avoidance and multiple 90-degree turns along the paths to the goal. The present results affirm that this new detour maze provides a viable approach for assessing cognitive performance in a within-subject design and thereby offers new possibilities for testing various aspects of cognitive processing, particularly for aged rodent models, in a complex aversive situation.
A New Class of Chiral Organogermanes Derived from C2-Symmetric Dithiols:  Synthesis, Characterization and Stereoselective Free Radical Reactions (2003)

A new class of dithiostannanes and dithiogermanes have been prepared from 1,1'-binaphthyl-2,2'-dithiol and 3,3'-bis(trimethylsilyl)-1,1'-binaphtho-2,2'-dithiol. While reduction of 4-butyl-4-chloro-3,5-dithia-4-stanna-cyclohepta[2,1-a;3,4-a']dinaphthalene to the corresponding tin hydride was unsuccessful, 4-tert-butyl-3,5-dithia-4-germa-cyclohepta[2,1-a;3,4-a']dinaphthalene and 4-tert-butyl-2,6-bis(trimethylsilyl)-3,5-dithia-4-germa-cyclohepta[2,1-a;3,4-a']dinaphthalene were obtained by reduction of the parent germanium chlorides with NaBH(4) and LiBH(4), respectively. Kinetic constants for hydrogen transfer to a primary alkyl radical were measured for both germanium hydrides. Reduction of alpha-halo carbonyl compounds by these germanium hydrides occurs with moderate ee values (up to 42%), while hydrogermylation of methyl methacrylate occurs with low selectivity (<3/1) for the former hydride but high selectivity (>10/1) for the latter.
Effects of CdSe/ZnS quantum dots covered multi-walled carbon nanotubes on murine embryonicstem cells (2010)

Stem cells nanotechnology has emerged as a new exciting area, and holds great potential for research and development of stem cells as novel therapeutic platforms for genetic, traumatic, and degenerative medicine. Vital to the success of this technology are approaches that reproducibly facilitate in vivo cell tracking, expansion, differentiation, and transplantation. Herein we reported the effects of CdSe/ZnS quantum dots covered multi-walled carbon nanotubes (FMNTs) on mice embryonic stem cell line CCE cells. The FMNTs were prepared by plasma surface treatment and characterized by high resolution transmission electron microscopy (HR-TEM), and incubated with murine ES CCE cells for 1 to 28 day.These ES cells were observed by confocal laser scanning microscopy, and were analyzed by real time reverse transcription-polymerase chain reaction (RTPCR), flow cytometry (FCM) and MTT method. Results showed that prepared FMNTs exhibited green fluorescent signal, could enter into ES cells in time-dependent means, more than 20 µg ml-1 FMNTs induced ES cells become smaller and smaller as the incubation time increased, and inhibited cell growth in dose-and time-dependent means, induced apoptosis of ES cells; conversely, 5 µg ml-1 FMNTs could markedly stimulate the expression of Sox1 and Hsp27, and inhibit expression of OCT4 in ES cells, FCM analysis showed that differentiation marker Flk-1 exhibited higher expression compared with control ES cells. In conclusion, high dose of FMNTs can inhibit proliferation of ES cells, low dose of FMNTs can improve the differentiation of ES cells, FMNTs can have potential applications in in vivo tracking, imaging and regulation of the proliferation and differentiation of ES cells.
Dynamic echo-planar imaging of the breast: experience in diagnosing breast carcinoma and correlation with tumor angiogenesis. (1997)

The T1 value remains important in more precise quantitative estimation of gadopentetate dimeglumine uptake in breast tumors, which helps improve the specificity of dynamic imaging. Tumor MVD affects the contrast medium enhancement of breast lesions, but other factors contribute.
Impact of antenna tuning on SMOS correlation loss (2016)

The Soil Moisture and Ocean Salinity (SMOS) mission by the European Space Agency (ESA) was launched in 2009 [1]. Since then, it has produced a continuous stream of valuable geophysical data over land, ice and ocean [2] However, a problem which does persist is the so-called land-sea contamination (LSC) effect, an artificial increase of brightness temperature around large land masses that enters into the ocean several hundreds of kilometers. This artifact has been found to be caused by an inconsistency between the multiplicative error that affects the zero baseline (antenna temperature) and the error affecting the rest of baselines (correlations). This inconsistency is related to about 2% measurement overestimation of the correlation efficiency (fringe washing function at the origin) that produces a scene dependent bias in the retrieved brightness temperature [3]. It must be pointed out that correlation efficiency is periodically measured on-board by means of an internal noise injection scheme [4]. Since antenna frequency response is not included in the noise injection loop, this paper is devoted to assess its potential impact in SMOS end-to-end increased correlation loss.
The Arabidopsis Tandem Zinc Finger Protein AtTZF1 Traffics between the Nucleus and Cytoplasmic Foci and Binds Both DNA and RNA (2009)

Processing bodies (PBs) are specialized cytoplasmic foci where mRNA turnover and translational repression can take place. Stress granules are related cytoplasmic foci. The CCCH tandem zinc finger proteins (TZFs) play pivotal roles in gene expression, cell fate specification, and various developmental processes. Human TZF binds AU-rich elements at the 3' untranslated region and recruits decapping, deadenylation, and exonucleolytic enzymes to PBs for RNA turnover. Recent genetic studies indicate that plant TZFs are involved in gene regulation and hormone-mediated environmental responses. It is unknown if plant TZFs can bind RNA and be localized to PBs or stress granules. The Arabidopsis (Arabidopsis thaliana) AtTZF1/AtCTH/AtC3H23 was identified as a sugar-sensitive gene in a previous microarray study. It is characterized by a TZF motif that is distinct from the human TZF. Higher plants such as Arabidopsis and rice (Oryza sativa) each have a gene family containing this unique TZF motif. Here, we show that AtTZF1 can traffic between the nucleus and cytoplasmic foci. AtTZF1 colocalizes with markers of PBs, and the morphology of these cytoplasmic foci resembles that of mammalian PBs and stress granules. AtTZF1-associated cytoplasmic foci are dynamic and tissue specific. They can be induced by dark and wound stresses and are preferentially present in actively growing tissues and stomatal precursor cells. Since AtTZF1 can bind both DNA and RNA in vitro, it raises the possibility that AtTZF1 might be involved in DNA and/or RNA regulation.
A Universal Modular Hybrid LDO With Fast Load Transient Response and Programmable PSRR in 14-nm CMOS Featuring Dynamic Clamp Strength Tuning (2021)

This article presents a universal modular hybrid low-dropout regulator (MHLDO) to provide any desired combination of the power supply rejection ratio (PSRR) and power conversion efficiency (PCE) with in-compliance output ripple, load transient response, and operating range while minimizing losses and decoupling capacitor. The hybrid architecture eliminates the need for the fine quantization of the digital LDO power gates and prevents any associated limit cycle oscillation while keeping the overheads low. It is configurable at design-time and robustly self-adjusts across different operating points via a scalable architecture. The modular topology overcomes significant challenges of developing a large variety of analog and digital LDOs in order to meet the varying PSRR and power budget requirements for systems on a chip (SoCs) in scaled CMOS. A nonlinear control (NLC) feature provides an energy-efficient way to respond to fast load transients, while the dynamic clamp strength tuning (DCST) technique prevents unnecessary oscillations stemming from the input parasitic inductances and improves stability while lowering switching losses. The designed MHLDO provides a programmable PSRR capability of up to -42 dB with a quiescent current of less than 27.3 μA as ALDO and a 133-mV worst droop against a >1-A/ns fast di/dt load change as DLDO. A new figure of merit (FoM) with improved accuracy demonstrates performance of 83 fs.
Supplementary Figure 1 from Tasisulam Sodium, an Antitumor Agent That Inhibits Mitotic Progression and Induces Vascular Normalization (2023)

&lt;p&gt;PDF file - 313K&lt;/p&gt;
Engineering of metabolic control (2023)

The invention features a method of producing heterologous molecules in cells under the regulatory control of a metabolite and metabolic flux. The method can enhance the synthesis of heterologous polypeptides and metabolites.
A film-texture driven piezoelectricity of AlN thin films grown at low temperatures by plasma-enhanced atomic layer deposition (2020)

Simultaneously inducing preferred crystalline orientation with a strong piezoelectric response in polycrystalline aluminum nitride (AlN) thin films by atomic layer deposition is a technical challenge due to the upscaling of the integration of piezoelectric functionalities, such as sensing and actuation, in micro-devices without any poling process. Utilizing low-temperature plasma-enhanced atomic layer deposition (PE-ALD), highly c-axis-oriented AlN films have been prepared with precise control over the relative composition, purity levels, and chemical states of constituent elements. Tailoring thermodynamic parameters, such as the growth temperature and purging time after the trimethylaluminum precursor pulsing before the N2:H2:Ar plasma reaction, provide the possibility of modulating the texture coefficient and the relative piezoelectric response. The effective transverse piezoelectric e31,f coefficient of 0.37 C/m2 was achieved on the AlN film grown at 250 °C and 30 s with the highest texture coefficient TC(002) of 2.75 along the c-axis orientation. The process proposed, at a low temperature with the highly conformal growth of aluminum nitride thin films by PE-ALD, opens up pathways to design novel piezoelectric functional materials for micro-electro-mechanic system devices with complementary metal oxide semiconductor process temperature compatibility.