gebhart/patrepeval huggingface dataset:
Hopping versus Tunneling Mechanism for Long-Range Electron Transfer in Porphyrin Oligomer Bridged Donor–Acceptor Systems (2015)

Achieving long-range charge transport in molecular systems is interesting to foresee applications of molecules in practical devices. However, designing molecular systems with pre-defined wire-like properties remains difficult due to the lack of understanding of the mechanism for charge transfer. Here we investigate a series of porphyrin oligomer-bridged donor-acceptor systems Fc-Pn-C60 (n = 1-4, 6). In these triads, excitation of the porphyrin-based bridge generates the fully charge-separated state, Fc(•+)-Pn-C60(•-), through a sequence of electron transfer steps. Temperature dependence of both charge separation (Fc-Pn*-C60 → Fc-Pn(•+)-C60(•-)) and recombination (Fc(•+)-Pn-C60(•-) → Fc-Pn-C60) processes was probed by time-resolved fluorescence and femtosecond transient absorption. In the long triads, two mechanisms contribute to recombination of Fc(•+)-Pn-C60(•-) to the ground state. At high temperatures (≥280 K), recombination via tunneling dominates for the entire series. At low temperatures (<280 K), unusual crossover from tunneling to hopping occurs in long triads. This crossover is rationalized by the increased lifetimes of Fc(•+)-Pn-C60(•-), hence the higher probability of reforming Fc-Pn(•+)-C60(•-) during recombination. We demonstrate that at 300 K, the weak distance dependence for charge transfer (β = 0.028 Å(-1)) relies on tunneling rather than hopping.
Wavelength conversion in a quantum well polarization insensitive amplifier (1994)

Polarization insensitivity of the gain saturation properties of a 1.3 μm semiconductor amplifier with tensile and compressive strain quantum well active region are used to demonstrate a WDM wavelength conversion configuration in which the outputs at the two wavelengths are separated on the basis of polarization. Use of orthogonal polarizations allows operation of a wavelength converter without an optical frequency filter at the output. Alternatively, inherent polarization insensitivity of the device can be used for wavelength conversion of an arbitrarily polarized signal.
A new face down bonding technique using a low melting point metal (2003)

The authors have developed a face-down bonding technique for use in making an LCD (liquid-crystal-display) panel. The maximum bonding temperature is limited by the heat resistance temperature for the liquid-crystal materials and polarizer plates. The bonding temperature is approximately 150 degrees C. Using a low-melting-point metal, such as the indium alloy, the IC electrodes and bonding pads on a glass substrate can be connected at a temperature less than 150 degrees C. This technique is called the low-melting-point-metal connection (LMC) technique. Shallow-bowl-shaped bumps of low-melting-point metal, 10-20- mu high, were formed on the IC bonding pads by dipping, and the IC and the glass substrate were connected. This process was carried out at a pressure of 30 gf/bump or less and at a temperature of 150 degrees C or less. Two kinds of reliability tests were then carried out. One was a thermal shock test, and the other was a high-temperature, high-humidity test (70 degrees C, 90% R.H., 500 h). Stable results were obtained for both tests. Dot-matrix LCD panels with 640*400 dots were assembled using 20 driver IC chips and were shown to work well.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Low noise figure (7.2 dB) and high gain (29 dB)semiconductor optical amplifier with a single layer AR coating (1997)

An angled facet strained MQW semiconductor laser amplifier with integrated mode expanders has been designed and fabricated. A device with simple single layer antireflection coatings exhibited a maximum of 29 dB fibre-to-fibre gain with a minimum noise figure of 7.2 dB at 26 dB gain and a saturation output power of 7.5 dBm. This gain is equal to the highest reported for an SLA operating at 1.5 µm while the noise performance is superior to that in any published work.
Structure of hydroxycotinine, a nicotine methobolite (1972)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructure of hydroxycotinine, a nicotine methoboliteErmias Dagne and Neal Castagnoli Jr.Cite this: J. Med. Chem. 1972, 15, 4, 356–360Publication Date (Print):April 1, 1972Publication History Published online1 May 2002Published inissue 1 April 1972https://pubs.acs.org/doi/10.1021/jm00274a005https://doi.org/10.1021/jm00274a005research-articleACS PublicationsRequest reuse permissionsArticle Views384Altmetric-Citations56LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Enzyme Reactor Design Under Thermal Inactivation (2003)

Temperature is a very relevant variable for any bioprocess. Temperature optimization of bioreactor operation is a key aspect for process economics. This is especially true for enzyme-catalyzed processes, because enzymes are complex, unstable catalysts whose technological potential relies on their operational stability. Enzyme reactor design is presented with a special emphasis on the effect of thermal inactivation. Enzyme thermal inactivation is a very complex process from a mechanistic point of view. However, for the purpose of enzyme reactor design, it has been oversimplified frequently, considering one-stage first-order kinetics of inactivation and data gathered under nonreactive conditions that poorly represent the actual conditions within the reactor. More complex mechanisms are frequent, especially in the case of immobilized enzymes, and most important is the effect of catalytic modulators (substrates and products) on enzyme stability under operation conditions. This review focuses primarily on reactor design and operation under modulated thermal inactivation. It also presents a scheme for bioreactor temperature optimization, based on validated temperature-explicit functions for all the kinetic and inactivation parameters involved. More conventional enzyme reactor design is presented merely as a background for the purpose of highlighting the need for a deeper insight into enzyme inactivation for proper bioreactor design.
Control algorithm development for mobile FSO node alignment (2009)

Since the need for high alignment accuracy of the transmitter and receiver to construct a viable connection is a primary challenge for mobile free-space optical (FSO) links, developing an efficient transmitter control system for acquisition and tracking is an urgent demand. This paper investigates a novel control algorithm within different transmitter designs in FSO mobile networks. The fiber bundles are utilized so that the beam deflection properties of a lens can be exploited to affect beam steering. After acquiring and processing the data from GPS, fisheye system as well as the receiver, the adaptive control system would help tracking the mobile receiver and providing optimum coverage over the target area. Initial analysis of the design indicates refinements in design and performance required to develop a practical control system.
Effects of tripotassium dicitrato bismuthate (TDB) tablets or cimetidine in the treatment of duodenal ulcer. (1983)

Forty patients with duodenal ulcer were randomly allocated to treatment with either tripotassium dicitrato bismuthate tablets or cimetidine for six weeks. Endoscopically confirmed healing of the ulcer occurred in 80% treated with tripotassium dicitrato bismuthate tablets and in 85% treated with cimetidine. Symptomatic improvement was also similar in the two groups. Treatment with cimetidine was associated with an increase in pH of gastric aspirate during treatment and increased numbers of bacteria were isolated from the gastric aspirate during treatment, while the pH and bacterial flora of gastric aspirate did not change during tripotassium dicitrato bismuthate treatment. Serum and urinary bismuth levels rose during treatment with tripotassium dicitrato bismuthate and urinary excretion remained raised two weeks after cessation of treatment. Tripotassium dicitrato bismuthate tablets appear to be as effective as cimetidine in the treatment of duodenal ulcer without the potentially undesirable effects of a reduction in gastric acid secretion.
Calculation of a constant <i>Q</i> spectral transform (1991)

The frequencies that have been chosen to make up the scale of Western music are geometrically spaced. Thus the discrete Fourier transform (DFT), although extremely efficient in the fast Fourier transform implementation, yields components which do not map efficiently to musical frequencies. This is because the frequency components calculated with the DFT are separated by a constant frequency difference and with a constant resolution. A calculation similar to a discrete Fourier transform but with a constant ratio of center frequency to resolution has been made; this is a constant Q transform and is equivalent to a 1/24-oct filter bank. Thus there are two frequency components for each musical note so that two adjacent notes in the musical scale played simultaneously can be resolved anywhere in the musical frequency range. This transform against log (frequency) to obtain a constant pattern in the frequency domain for sounds with harmonic frequency components has been plotted. This is compared to the conventional DFT that yields a constant spacing between frequency components. In addition to advantages for resolution, representation with a constant pattern has the advantage that note identification (‘‘note identification’’ rather than the term ‘‘pitch tracking,’’ which is widely used in the signal processing community, is being used since the editor has correctly pointed out that ‘‘pitch’’ should be reserved for a perceptual context), instrument recognition, and signal separation can be done elegantly by a straightforward pattern recognition algorithm.
Mutations in the BRCA1-associated RING domain (BARD1) gene in primary breast, ovarian and uterine cancers (1998)

Germline alterations of BRCA1 result in susceptibility to breast and ovarian cancer. The protein encoded by BRCA1 interacts in vivo with the BRCA1-associated RING domain (BARD1) protein. Accordingly, BARD1 is likely to be a critical factor in BRCA1-mediated tumor suppression and may also serve as a target for tumorigenic lesions in some human cancers. We have now determined the genomic structure of BARD1 and performed a mutational analysis of 58 ovarian tumors, 50 breast tumors and 60 uterine tumors. Seven polymorphisms were detected within the 2.34 kb coding sequence of BARD1 . Somatically acquired missense mutations were observed in one breast carcinoma and one endometrial tumor; in at least one of these cases, tumor formation was accompanied by loss of the wild-type BARD1 allele, following the paradigm for known tumor suppressor genes. In addition, a germline alteration of BARD1 was identified in a clear cell ovarian tumor (Gln564His); again, loss of the wild-type BARD1 allele was observed in the malignant cells of this patient. The Gln564His patient was also diagnosed with two other primary cancers: a synchronous lobular breast carcinoma and a stage IA clear cell endometrioid cancer confined to an endometrial polyp 6 years earlier. These findings suggest an occasional role for BARD1 mutations in the development of sporadic and hereditary tumors.
BotCloud: Detecting botnets using MapReduce (2011)

Botnets are a major threat of the current Internet. Understanding the novel generation of botnets relying on peer-to-peer networks is crucial for mitigating this threat. Nowadays, botnet traffic is mixed with a huge volume of benign traffic due to almost ubiquitous high speed networks. Such networks can be monitored using IP flow records but their forensic analysis form the major computational bottleneck. We propose in this paper a distributed computing framework that leverages a host dependency model and an adapted PageRank [1] algorithm. We report experimental results from an open-source based Hadoop cluster [2] and highlight the performance benefits when using real network traces from an Internet operator.
New Cell Cycle Inhibitors Target Aneuploidy in Cancer Therapy (2018)

Aneuploidy is a hallmark of cancer. Defects in chromosome segregation result in aneuploidy. Multiple pathways are engaged in this process, including errors in kinetochore-microtubule attachments, supernumerary centrosomes, spindle assembly checkpoint (SAC) defects, and chromosome cohesion defects. Although aneuploidy provides an adaptation and proliferative advantage in affected cells, excessive aneuploidy beyond a critical level can be lethal to cancer cells. Given this, enhanced chromosome missegregation is hypothesized to limit survival of aneuploid cancer cells, especially when compared to diploid cells. Based on this concept, proteins and pathways engaged in chromosome segregation are being exploited as candidate therapeutic targets for aneuploid cancers. Agents that induce chromosome missegregation and aneuploidy now exist, including SAC inhibitors, those that alter centrosome fidelity and others that are under active study in preclinical and clinical contexts. This review explores the therapeutic potentials of such new agents, including the benefits of combining them with other antineoplastic agents.
Chemistry and Biology of Fascaplysin, a Potent Marine-Derived CDK-4 Inhibitor (2012)

Marine natural products offer an abundant source of pharmacologically active agents with great diversity and complexity, and the potential to produce valuable therapeutic entities. Indole alkaloids is one of the important class of marine-derived secondary metabolites, with wide occurrence amongst variety of marine sources such as sponges, tunicates, algae, worms and microorganisms and have been extensively studied for their biological activities. Among this chemical family, a sponge-derived bis-indole alkaloid fascaplysin (1) exhibited broad range of bioactivities including antibacterial, antifungal, antiviral, anti-HIV-1-RTase, p56 tyrosine kinase inhibition, antimalarial, anti-angiogenic, antiproliferative activity against numerous cancer cell lines, specific inhibition of cyclin-dependent kinase-4 (IC(50) 350 nM) and action as a DNA intercalator. In the present review, the chemical diversity of natural as well as synthetic analogues of fascaplysin has been reviewed with a detailed account on synthetic reports and pharmacological studies. Our analysis of the structure-activity relationships of this family of compounds highlights the existence of various potential leads for the development of novel anticancer agents.
Regulatory network of acid resistance genes in <i>Escherichia coli</i> (2003)

Overexpression of the response regulator EvgA confers an acid-resistant phenotype to exponentially growing Escherichia coli. This acid resistance is partially abolished by deletion of ydeP, yhiE or ydeO, genes induced by EvgA overexpression. Microarray analysis identified two classes of operons (genes). The first class contains seven operons induced by EvgA overexpression in the absence of ydeO, an AraC/XylS regulator gene. The second class contains 12 operons induced by YdeO overexpression. Operons in the second class were induced by EvgA overexpression only in the presence of ydeO. EvgA is likely to directly upregulate operons in the first class, and indirectly upregulate operons in the second class via YdeO. Analysis using the motif-finding program alignace identified an 18 bp inverted repeat motif in six upstream regions of all seven operons directly regulated by EvgA. Gel mobility shift assays showed the specific binding of EvgA to the six sequences. Introduction of mutations into the inverted repeats upstream of ydeP and b1500-ydeO resulted in reduction in EvgA-induced ydeP and ydeO expression and acid resistance. These results suggest that EvgA binds to the inverted repeats and upregulates the downstream genes. Overexpression of YdeP, YdeO and YhiE conferred acid resistance to exponentially growing cells, whereas GadX overexpression did not. Microarray analysis also identified several GadX-activated genes. Several genes induced by overexpression of YdeO and GadX overlapped; however, yhiE was induced only by YdeO. The acid resistance induced by YdeO overexpression was abolished by deletion of yhiE, gadC, slp-yhiF, hdeA or hdeD, genes induced by YdeO overexpression, suggesting that several genes orchestrate YdeO-induced acid resistance. We propose a model of the regulatory network of the acid resistance genes.
Gaussian Process Subset Scanning for Anomalous Pattern Detection in Non-iid Data (2018)

Identifying anomalous patterns in real-world data is essential for understanding where, when, and how systems deviate from their expected dynamics. Yet methods that separately consider the anomalousness of each individual data point have low detection power for subtle, emerging irregularities. Additionally, recent detection techniques based on subset scanning make strong independence assumptions and suffer degraded performance in correlated data. We introduce methods for identifying anomalous patterns in non-iid data by combining Gaussian processes with novel log-likelihood ratio statistic and subset scanning techniques. Our approaches are powerful, interpretable, and can integrate information across multiple data streams. We illustrate their performance on numeric simulations and three open source spatiotemporal datasets of opioid overdose deaths, 311 calls, and storm reports.
Interactions Between non-ionic Surfactant Vesicles and human stratum corneum<i>in vitro.</i> (1995)

AbstractThe effects of non-ionic surfactant vesicles (NSVs) on human skin in vitro were studied in relation to the physico-chemical properties of the vesicles. The interactions between NSVs and skin were visualized using both freeze fracture electron microscopy and confocal laser scanning microscopy. The physico-chemical properties of the NSVs were varied in a systematic way, using a broad series of polyoxyethylene monoalkyl ether type surfactants (CnEOm). The number of oxyethylene units (m) was varied between 3, 7 and 10, and the number of carbon atoms (n) was either 12 or 18. Both the effects of liquid state vesicles composed of C12Eo3,7 and C9=9EO10 surfactants and gel state vesicles (C18EO37) were investigated. After the application of the NS V suspension on the stratum corneum surface two essentially different types of vesicle-skin interactions were visualized. Firstly, an interfacial interaction, involving the adsorption of vesicles, and the deposition of bilayer sheets on the outermost layers of the stratum corneum observed for all NSV formulations tested in this study. Secondly, effects on the ultrastructure of the stratum corneum were observed: the appearance of water pools observed for the liquid state vesicles only, and ultrastructural changes of the intercellular lipid domains are induced only observed after treatment with C12EO3 NSVs. Neither changes in the ultrastructure of the viable epidermis, nor changes in deeper skin layers were observed.
Adaptively parallelizing distributed range queries (2009)

We consider the problem of how to best parallelize range queries in a massive scale distributed database. In traditional systems the focus has been on maximizing parallelism, for example by laying out data to achieve the highest throughput. However, in a massive scale database such as our PNUTS system [11] or BigTable [10], maximizing parallelism is not necessarily the best strategy: the system has more than enough servers to saturate a single client by returning results faster than the client can consume them, and when there are multiple concurrent queries, maximizing parallelism for all of them will cause disk contention, reducing everybody's performance. How can we find the right parallelism level for each query in order to achieve high, consistent throughput for all queries? We propose an adaptive approach with two aspects. First, we adaptively determine the ideal parallelism for a single query execution, which is the minimum number of parallel scanning servers needed to satisfy the client, depending on query selectivity, client load, client-server bandwidth, and so on. Second, we adaptively schedule which servers will be assigned to different query executions, to minimize disk contention on servers and ensure that all queries receive good performance. Our scheduler can be tuned based on different policies, such as favoring short versus long queries or high versus low priority queries. An experimental study demonstrates the effectiveness of our techniques in the PNUTS system.
Design may be Counterproductive for Optimizing Flexion After TKR (2003)

Pain-free flexion of as much as 155 degrees with stability is the ultimate goal of total knee replacement (TKR). Achieving this amount of flexion depends on implant design, surgical technique, preoperative range of motion (ROM), and patient cooperation. Current design trends are focusing on shortening the radii of curvature; such shortening, in turn, thickens the posterior femoral condyle, and increases the height of the posterior-stabilized box, both of which require removal of more bone. The end results may be excessive wear, increased patellofemoral complications, and difficult revisions. Several studies have indicated preoperative ROM is more predictive of postoperative ROM than any other criteria, including implant design. Based on currently available information, if full or almost full preoperative ROM is required for the high flex total knee design, few patients would qualify for the high flex TKA.
Pollution control designs in continuous improvement (1996)

Describes integrated pollution control, the legal regime established by the Environmental Protection Act 1990. Gives the background to the need for an integrated system of regulation. Explains the concepts of best practicable environmental option and best available techniques not entailing excessive cost. Discusses the way in which the regime attempts to control pollution in terms of the authorization and variation process and through enforcement. Describes the way the regime attempts to utilize market forces. Outlines some of the problems encountered by Her Majesty’s Inspectorate of Pollution (HMIP) in the operation of the regime.