gebhart/patrepeval huggingface dataset:
Tautomerism in 4‐substituted 1‐phenyl‐3‐methyl‐pyrazolin‐5‐ones—a theoretical <i>ab initio</i> and <sup>13</sup>C NMR study (2001)

Abstract The tautomeric equilibria between the CH, OH and NH forms in a series of 4‐substituted 1‐phenyl‐3‐methyl‐pyrazolin‐5‐ones have been studied using ab initio calculations at various levels of theory and comparison made with the experimental results obtained from NMR measurements. Quantitative comparison of both the relative energies and the 13 C chemical shifts of the tautomers constituting the tautomeric equilibria were made by calculation of both sets of parameters. The influence of the solvent was included by employing various models of the self‐consistent reaction field theory. Initially, the solvent was included in the calculations by applying a continuum of differing polarity over the surface of isolated tautomers (self‐consistent isodensity polarized continuum model method), then later by assuming formation of an adduct between the solute and the solvent (thereby simulating effectively the hydrogen bonding in the OH and NH tautomers) and finally by calculating dimer or trimer complexes of the various tautomers. In this manner, the agreement between the theoretically calculated and the experimentally determined tautomeric equilibria was improved significantly. The theoretically calculated 13 C chemical shifts of the tautomers were found to be viable for the assignment of the tautomers, particularly the preferred tautomer in the OH/NH equilibrium, which remains fast on the NMR time scale even at low temperatures. Copyright © 2001 John Wiley & Sons, Ltd.
Brain Injury and Ventricular Dysfunction: Insights Into Reversible Heart Failure (2005)

The unique syndrome of brain death is associated with cardiac dysfunction; however, if such a heart is removed from this environment and transplanted, the cardiac dysfunction often resolves. This scenario offers insight into the mechanisms of reversible forms of cardiac injury and suggests that treatment of the extra-cardiac milieu by removing the initiating insult can often result in recovery. The mechanisms leading to reversible cardiac dysfunction are discussed in this review, with concentration on the implications of such injury in determining outcomes following transplantation.
The Use of Tinted Glasses in Childhood Migraine (1991)

20 children with clinically diagnosed migraine were asked to wear either a rose coloured tint or density matched blue tint for a period of 4 months. The frequency, duration and intensity of migraine attacks were recorded, together with the amount of visually provoked beta activity in the EEG. After one month's wear all the children in the study revealed an initial improvement in headache frequency. However, only those children wearing rose tints sustained this improvement up to 4 months, when the mean headache frequency had improved from 6.2 per month to 1.6 per month. The headache frequency of those children wearing blue tints revealed no overall improvement after 4 months. The improvements in headache frequency in children wearing rose tints correlated with a reduction in visually provoked beta activity.
The substrate integrated circuits - a new concept for high-frequency electronics and optoelectronics (2003)

A new generation of high-frequency integrated circuits is presented, which is called substrate integrated circuits (SICs). Current state-of-the-art of circuit design and implementation platforms based on this new concept are reviewed and discussed in detail. Different possibilities and numerous advantages of the SICs are shown for microwave, millimeter-wave and optoelectronics applications. Practical examples are illustrated with theoretical and experimental results for substrate integrated waveguide (SIW), substrate integrated slab waveguide (SISW) and substrate integrated nonradiating dielectric (SINRD) guide circuits. Future research and development trends are also discussed with reference to low-cost innovative design of millimeter-wave and optoelectronic integrated circuits.
Scanning calorimetric evidence for a third phase transition in phosphatidylcholine bilayers. (1980)

A third phase transition, centered at about 18 degrees C, was observed by differential scanning calorimetry in a multilamellar suspension of dipalmitoyl phosphatidylcholine that had been held at 0 degrees C for several days. This transition is less cooperative than the other two transitions which are well known for this system, and it is accompanied by an enthalpy increase about three times as large as that of the so-called pretransition at 35 degrees C and about half that of the main gel to liquid crystal transition at 41 degrees C. The reversal of this transition on cooling is extremely slow.
[Catheter intervention to venous system using expandable metallic stents]. (1994)

Superior vena cava syndrome mainly associated with malignant tumors, is usually resistant to any therapy. Although mechanical dilation of narrowed lumen is ideal for relief of symptoms, conventional balloon angioplasty has not been effective method. Surgical intervention is not a good choice in patients with advanced malignant tumors. Recently developed expandable metallic stents have been adopted to superior vena cava syndrome with good results. In this article, characteristics of expandable metallic stents is reviewed, and our experience of expandable metallic stents (Gianturco stent and Wallstent) in venous system is indicated. In addition, percutaneous insertion of inferior vena cava filter (Greenfield filter) is also mentioned.
B-CoC: A Blockchain-Based Chain of Custody for Evidences Management in Digital Forensics (2018)

One of the main issues in digital forensics is the management of evidences. From the time of evidence collection until the time of their exploitation in a legal court, evidences may be accessed by multiple parties involved in the investigation that take temporary their ownership. This process, called Chain of Custody (CoC), must ensure that evidences are not altered during the investigation, despite multiple entities owned them, in order to be admissible in a legal court. Currently digital evidences CoC is managed entirely manually with entities involved in the chain required to fill in documents accompanying the evidence. In this paper, we propose a Blockchain-based Chain of Custody (B-CoC) to dematerialize the CoC process guaranteeing auditable integrity of the collected evidences and traceability of owners. We developed a prototype of B-CoC based on Ethereum and we evaluated its performance.
An ultra low power 130nm CMOS direct conversion transceiver for IEEE802.15.4 (2008)

A fully integrated 2.4GHz transceiver based on the IEEE802.15.4 specification has been designed using a 130nm CMOS technology. Concurrent system and design optimizations were required to reach an energy efficiency of 21.5nJ/bit in RX mode and 32.5nJ/bit in TX modes, respectively, at a data rate of 250kbit/s. The circuit includes a −5dBm transmitter, a −81dBm sensitivity receiver, an integer N PLL with 5MHz reference, a dual I/Q 3-bit ADC at 4MS/s, an analog RSSI with 8-bit ADC at 8kS/s and an integrated SPDT TX/RX switch to a 100 Ω differential antenna port. The chip consumes 5.4mW in RX mode and 8.1mW in TX mode under 1.2V.
Long‐term follow‐up of 233 patients with hairy cell leukaemia, treated initially with pentostatin or cladribine, at a median of 16 years from diagnosis (2009)

Hairy cell leukaemia (HCL) was first described 50 years ago. Median survival was then 4 years. The purine analogues, introduced in the 1980s, transformed this prognosis. We reviewed data retrospectively from 233 patients, treated with pentostatin (n = 188) or cladribine (n = 45), to investigate the current long-term outlook. Median follow-up was 16 years. There were no significant differences in outcome between the two agents. Overall, the complete response (CR) rate was 80% and median relapse-free survival was 16 years. After relapse (n = 79) or non-response (n = 5), 26 patients received pentostatin and 58 cladribine; 69% achieved CR and median relapse-free survival was 11 years. After third-line therapy (n = 23), 50% achieved CR and median relapse-free survival was 6.5 years. However, CRs were equally durable, whether after first, second or third-line therapy. Complete responders and those with both haemoglobin >100 g/l and platelet count >100 x 10(9)/l before treatment had the longest relapse-free survival (P < 0.0001). Patients still in CR at 5 years had only a 25% risk of relapse by 15 years. Outcomes for patients with recurrent disease improved with the monoclonal antibody rituximab, combined with either purine analogue. Overall only eight patients died of HCL-related causes. Patients achieving a CR can expect a normal lifespan.
Some Reactions of 2-Butyne-1,4-Diol (1953)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSome Reactions of 2-Butyne-1,4-DiolG. F. Hennion and Floyd P. KupieckiCite this: J. Org. Chem. 1953, 18, 11, 1601–1609Publication Date (Print):November 1, 1953Publication History Published online1 May 2002Published inissue 1 November 1953https://pubs.acs.org/doi/10.1021/jo50017a023https://doi.org/10.1021/jo50017a023research-articleACS PublicationsRequest reuse permissionsArticle Views598Altmetric-Citations48LEARN 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
Mutations in <i>ponA</i> , the Gene Encoding Penicillin-Binding Protein 1, and a Novel Locus, <i>penC</i> , Are Required for High-Level Chromosomally Mediated Penicillin Resistance in <i>Neisseria gonorrhoeae</i> (2002)

Chromosomally mediated penicillin resistance in Neisseria gonorrhoeae occurs in part through alterations in penicillin-binding proteins (PBPs) and a decrease in outer membrane permeability. However, the genetic and molecular mechanisms of transformation of a penicillin-susceptible strain of N. gonorrhoeae to high-level penicillin resistance have not been clearly elucidated. Previous studies suggested that alterations in PBP 1 were involved in high-level penicillin resistance. In this study, we identified a single amino acid mutation in PBP 1 located 40 amino acids N terminal to the active-site serine residue that was present in all chromosomally mediated resistant N. gonorrhoeae (CMRNG) strains for which MICs of penicillin were > or = 1 microg/ml. PBP 1 harboring this point mutation (PBP 1*) had a three- to fourfold lower rate of acylation (k2/K') than wild-type PBP 1 with a variety of beta-lactam antibiotics. Consistent with its involvement in high-level penicillin resistance, replacement of the altered ponA gene (ponA1) in several CMRNG strains with the wild-type ponA gene resulted in a twofold decrease in the MICs of penicillin. Surprisingly, transformation of an intermediate-level penicillin-resistant strain (PR100; FA19 penA4 mtr penB5) with the ponA1 gene did not increase the MIC of penicillin for this strain. However, we identified an additional resistance locus, termed penC, which was required along with ponA1 to increase penicillin resistance of PR100 to a high level (MIC = 4 microg/ml). The penC locus by itself, when present in PR100, increases the MICs of penicillin and tetracycline twofold each. These data indicate that an additional locus, penC, is required along with ponA1 to achieve high-level penicillin resistance.
Directed Water Shedding on High‐Aspect‐Ratio Shape Memory Polymer Micropillar Arrays (2013)

A reconfigurable, droplet-directing surface is developed based on high-aspect-ratio shape-memory polymer (SMP) pillars. The water droplet on the original or recovered SMP pillars can slide off the surface at a finite angle of inclination while being fully pinned on the deformed pillar array. This wettability contrast allows directed water shredding from the straight pillars to the deformed ones.
Simulating Cavitation and Hydraulic Flip Inside Hydroentangling Nozzles (2004)

Hydroentangling owes its success to the peculiar properties of coherent water jets. For hydroentangling to be feasible at higher pressures, it is extremely important that water jets maintain their collimation for an appreciable distance downstream of the nozzle. How ever, water-jet breakup accelerates at high pressures. Recent studies have shown that cavitation severely affects the integrity of high-pressure water jets. Investigating cavita tion experimentally is not trivial. Computational fluid dynamics simulations offer appro priate tools as a first step. This paper discusses the results of an unsteady-state simulation, which shows the inception and time-evolution of a cavitation cloud inside a hydroentan gling nozzle. Under certain conditions, the cavity cloud extends to the nozzle outlet, resulting in the so-called hydraulic flip. Once hydraulic flip occurs, cavitation suddenly vanishes because the downstream air moves upward into the nozzle and fills the cavity. This air envelops the water flow inside the nozzle, which results in the depletion of cavitation-induced instabilities from the jet surface and elongates the jet breakup length. Moreover, our simulations reveal the approximate time scales of cavity growth through the nozzle. This information is highly relevant for experimental visualization of nozzle cavitation. The discharge and velocity coefficient obtained from the simulation are in a good agreement with published experimental data.
The use of signal peptide domains as vaccine candidates (2014)

Signal peptide (SP) domains have a common motif but also sequence specific features. This knowledge was mainly ignored by immunologists who considered SP as generic, short-lived, targeting sequences. Consequently, while SP-derived MHC class I, class II and HLA-E epitopes have been isolated, their use as antigen-specific vaccine candidates (VCs) was mostly neglected. Recently we demonstrated the rational of selecting entire SP domains as multi-epitope long peptide VCs based on their high T and B-cell epitope densities. This review summarizes preclinical and clinical results demonstrating the various advantages of human SP domain VCs derived from both bacterial and tumor antigens. Such vaccine design provides for a straightforward, yet unique immunotherapeutic means of generating robust, non-toxic, diversified, combined antigen-specific CD4(+)/CD8(+) T/B-cell immunity, irrespective of patient HLA repertoire also in disease associated transporter-associated with antigen processing (TAP) deficiencies. Subsequent clinical trials will further assess the full potential of this approach.
85 VITRIFICATION <i>IN VIVO</i> OF LARGE EQUINE EMBRYOS AFTER VITRIFICATION OR CULTURE (2005)

Cryopreservation of large (&gt;300 µm) equine embryos has been unsatisfactory using slow-cooling or vitrification techniques. The objective of the present experiments was to compare three methods for vitrification of large embryos using modified vitrification protocols for equine (Eldridge-Panuska et al. 2005 Theriogenology 63, 1308–1319) and bovine (2003 J. Anim. Sci. 81 Suppl. 1, 143) embryos. For Method 1, embryos ( n = 14) 350–550 or 550–750 µm were exposed, respectively to, VS1 [1.4 M glycerol (G) in mPBS] for 5 min or 7 min, moved to VS2 [1.4 M G, 3.6 M ethylene glycol (EG) in mPBS] for 5 min or 7 min, and then transferred to VS3 (3.4 M G, 4.6 M EG in mPBS) for 40 or 60 s. In Method 2, embryos ( n = 13) 350–550 or 550–750 µm were exposed, respectively, to VS1 for 10 or 14 min, VS2 for 10 or 14 min and VS3 for 60 or 90 s. Straws (0.25 mL) for Methods 1 and 2 were loaded with two columns of DS (0.5 M galactose in mPBS) and a small column of VS3 containing the embryo. Straws were heat-sealed and deposited in a goblet suspended in liquid N2 and containing vapor for 1 min and then plunged. Straws were warmed in air (24°C) for 10 sec and then in water at 20°C for 10 sec. Straws were shaken to mix the columns; after 3 min, embryos were expelled and re-hydrated in two additional solutions containing 0.3 and 0.15 M galactose for 3 min each. For Method 3, embryos ( n = 17) 300–750 µm were placed in 1.5 M EG in mPBS for 5 min; 3 M EG in mPBS for 10 min; 5 M EG in mPBS for 5 min and 7 M EG, 0.5 M galactose, 18% w/v Ficoll 70 in mPBS for less than a minute. The droplet containing an embryo was loaded into a 0.25 mL straw that was preloaded with two columns of DS and followed by a small column of DS. Straws were heat-sealed and plunged vertically, sealed end fist, into liquid nitrogen covering the embryo, then the remainder of the straw was slowly immersed. Straws were warmed in air (24°C) for 10 s and then in water at 37°C for 10 s. Straws were shaken to mix the columns; after 3 min at 37°C, embryos were rehydrated as in Methods 1 and 2. Embryos were transferred nonsurgically to recipients 5 d after ovulation, and pregnancy diagnoses were performed 5 to 9 d after transfers. No embryonic vesicles were observed for embryos vitrified with Methods 1 and 2. The pregnancy rate for embryos vitrified with Method 3 was 35% (6/17) overall, and 55% (6/11) for embryos between 300–400 µm. No pregnancies resulted from embryos &gt;400 µm. More studies are needed to optimize methodologies for dehydration, equilibration, and warming of large equine embryos.
Pharmacokinetics and Safety of Gadobutrol-Enhanced Magnetic Resonance Imaging in Pediatric Patients (2009)

Observed differences in pharmacokinetics were attributed to body weight, with no additional independent effect of age. Thus, no dose adjustment from the standard dose of gadobutrol in adults based on body weight (0.1 mmol/kg) is necessary in pediatric patients aged 2 to 17 years. Gadobutrol was safe and well tolerated in the pediatric population in this study.
Aminopyridines Correct Early Dysfunction and Delay Neurodegeneration in a Mouse Model of Spinocerebellar Ataxia Type 1 (2011)

The contribution of neuronal dysfunction to neurodegeneration is studied in a mouse model of spinocerebellar ataxia type 1 (SCA1) displaying impaired motor performance ahead of loss or atrophy of cerebellar Purkinje cells. Presymptomatic SCA1 mice show a reduction in the firing rate of Purkinje cells (both in vivo and in slices) associated with a reduction in the efficiency of the main glutamatergic synapse onto Purkinje cells and with increased A-type potassium current. The A-type potassium channel Kv4.3 appears to be internalized in response to glutamatergic stimulation in Purkinje cells and accumulates in presymptomatic SCA1 mice. SCA1 mice are treated with aminopyridines, acting as potassium channel blockers to test whether the treatment could improve neuronal dysfunction, motor behavior, and neurodegeneration. In acutely treated young SCA1 mice, aminopyridines normalize the firing rate of Purkinje cells and the motor behavior of the animals. In chronically treated old SCA1 mice, 3,4-diaminopyridine improves the firing rate of Purkinje cells, the motor behavior of the animals, and partially protects against cell atrophy. Chronic treatment with 3,4-diaminopyridine is associated with increased cerebellar levels of BDNF, suggesting that partial protection against atrophy of Purkinje cells is possibly provided by an increased production of growth factors secondary to the reincrease in electrical activity. Our data suggest that aminopyridines might have symptomatic and/or neuroprotective beneficial effects in SCA1, that reduction in the firing rate of Purkinje cells can cause cerebellar ataxia, and that treatment of early neuronal dysfunction is relevant in neurodegenerative disorders such as SCA1.
RC Active Filters for the D3 Channel Bank (1975)

The development of the voice-frequency active filters for the D3 channel bank is described. These filters are the first single-substrate RC active filters using thin-film tantalum RC and silicon integrated-circuit technology to be produced on a large scale by Western Electric. To create complete confidence in both the design and the new technology, an extensive model building and testing program was undertaken. In addition, continuous interaction with manufacturing engineers resulted in a design that facilitated the introduction of this new technology in a large-scale manufacturing environment. Significant advances were made in reducing the complexity of tuning active filters. In fact, the tuning and testing procedure has been adapted for use with a totally automated computer-controlled test set. Furthermore, a Monte Carlo statistical simulation of the manufacturing process of the filters was developed. This model includes tolerances of the manufactured components, test set errors in measuring gain and component values, resistor adjustment accuracies, and temperature and aging behavior of the components. This computer program has been an invaluable tool in determining the requirements for tuning, testing, and optimizing the final design for minimum manufacturing cost.
Mitoketoscins: Novel mitochondrial inhibitors for targeting ketone metabolism in cancer stem cells (CSCs) (2017)

Previous studies have now well-established that epithelial cancer cells can utilize ketone bodies (3-hydroxybutyrate and aceto-acetate) as mitochondrial fuels, to actively promote tumor growth and metastatic dissemination. The two critical metabolic enzymes implicated in this process are OXCT1 and ACAT1, which are both mitochondrial proteins. Importantly, over-expression of OXCT1 or ACAT1 in human breast cancer cells is sufficient to genetically drive tumorigenesis and/or lung metastasis, validating that they indeed behave as metabolic "tumor promoters". Here, we decided to target these two enzymes, which give cancer cells the ability to recycle ketone bodies into Acetyl-CoA and, therefore, to produce increased ATP. Briefly, we used computational chemistry (<i>in silico</i> drug design) to select a sub-set of potentially promising compounds that spatially fit within the active site of these enzymes, based on their known 3D crystal structures. These libraries of compounds were then phenotypically screened for their effects on total cellular ATP levels. Positive hits were further validated by metabolic flux analysis. Our results indicated that four of these compounds effectively inhibited mitochondrial oxygen consumption. Two of these compounds also induced a reactive glycolytic phenotype in cancer cells. Most importantly, using the mammosphere assay, we showed that these compounds can be used to functionally inhibit cancer stem cell (CSC) activity and propagation. Finally, our molecular modeling studies directly show how these novel compounds are predicted to bind to the active catalytic sites of OXCT1 and ACAT1, within their Coenzyme A binding site. As such, we speculate that these mitochondrial inhibitors are partially mimicking the structure of Coenzyme A. Thus, we conclude that OXCT1 and ACAT1 are important new therapeutic targets for further drug development and optimization. We propose that this new class of drugs should be termed "<i>mitoketoscins</i>", to reflect that they were designed to target ketone re-utilization and mitochondrial function.