gebhart/patrepeval huggingface dataset:
Molecular simulation of ionic liquids: current status and future opportunities (2009)

Ionic liquids are salts that are liquid near ambient conditions. Interest in these unusual compounds has exploded in the last decade, both at the academic and commercial level. Molecular simulations based on classical potentials have played an important role in helping researchers understand how condensed phase properties of these materials are linked to chemical structure and composition. Simulations have also predicted many properties and unexpected phenomena that have subsequently been confirmed experimentally. The beneficial impact molecular simulations have had on this field is due in large part to excellent timing. Just when computing power and simulation methods matured to the point where complex fluids could be studied in great detail, a new class of materials virtually unknown to experimentalists came on the scene and demanded attention. This topical review explores some of the history of ionic liquid molecular simulations, and then gives examples of the recent use of molecular dynamics and Monte Carlo simulation in understanding the structure of ionic liquids, the sorption of small molecules in ionic liquids, the nature of ionic liquids in the vapor phase and the dynamics of ionic liquids. This review concludes with a discussion of some of the outstanding problems facing the ionic liquid modeling community and how condensed phase molecular simulation experts not presently working on ionic liquids might help advance the field.
Über ein Kondensationsprodukt des Cumaranons und seine Umwandlung in Oxindirubin (1910)

Methyljodid durch Erhitzen irn geschlossenen Rohr, sowie aus m-Aminobenzoedure und Methylsulfat bereitet.Er gibt den Schrnelzpunkt jedoch mit 147O, also 200 zu hoch an.Diese Angnbe diirfte ebensowenig zuverliissig sein, wie die seines Mitarbeiters J o h n s t o n ') iiber die p -~e t h y l a m i n o b e n z o e s ~~~r ~ , deren Konstariten wir neiilich mitge
Kinetics of Extracellular Solute Movement in the Isolated Midgut of Tobacco Hornworm (Manduca Sexta) (1987)

ABSTRACT Measurements were made of the uptake of 14C-labelled sucrose in the short-circuited isolated midgut of fifth instar larvae of the tobacco hornworm. The longterm volume of distribution after bilateral exposure indicates that the extracellular space is about 0 ·26 ml g−1 wet tissue, much less than has been previously suggested. The results of unilateral exposure yield a value of about 0 04 ml g−1 for luminal goblet cell cavities and 0·22 ml g−1 for interstitial space. The kinetics of uptake suggest that the interstitial space is best modelled as a distributed volume rather than as a single compartment. This mathematical result fits the physical picture of an interstitial fluid in long, narrow channels which communicate freely with the haemolymph but are nearly impermeable to sucrose at the luminal end; that is, they are sealed by septate junctions. The electrical conductance of the epithelium is high, but the transepithelial permeability to sucrose is very much lower than to K+. Thus, the tissue is a physically tight epithelium.
Damage Tolerance and Reliability of Turbine Engine Components (1998)

This report describes a formal method to quantify structural damage tolerance and reliability in the presence of a multitude of uncertainties in turbine engine components. The method is based at the material behavior level where primitive variables with their respective scatter ranges are used to describe behavior. Computational simulation is then used to propagate the uncertainties to the structural scale where damage tolerance and reliability are usually specified. Several sample cases are described to illustrate the effectiveness, versatility, and maturity of the method. Typical results from this method demonstrate that it is mature and that it can be used to probabilistically evaluate turbine engine structural components. It may be inferred from the results that the method is suitable for probabilistically predicting the remaining life in aging or deteriorating structures, for making strategic projections and plans, and for achieving better, cheaper, faster products that give competitive advantages in world markets.
ChemInform Abstract: Intramolecular 1,3‐Dipolar Additions in 4‐O‐Allyl Pyranoside 6‐ Nitrones: An Approach to Chiral Pyranopyrans and Pyranooxepins. (1991)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Exhaustive enumeration of molecular substructures (1997)

This article addresses the systematic and complete enumeration of all the substructures of any size present in a given molecule. The study is not restricted to features which could be defined a priori such as rings or chains. Contrary to prior expectation the exhaustive enumeration is tractable with current computational tools. Results are presented for several families of skeletons which are widespread in chemistry. It is shown that the numbers of constituent substructures of each size are related to the molecular topology, in particular the degree of branching. The number substructures which are distinct depends additionally on the number of different atom and bond types present. The overall shapes of the distribution of substructure counts as a function of substructure size are found to be similar within particular classes of molecules. These distributions are compared and found to be characteristic of certain topologies. For several simple classes of molecule, analytic expressions are provided for the numbers of substructures as a function of fragment and molecule size. These results hold promise for identifying potentially useful scaffolds for use in combinatorial chemistry. © 1997 by John Wiley & Sons, Inc.
TFIIAα/β-Like Factor Is Encoded by a Germ Cell-Specific Gene Whose Expression Is Up-Regulated with Other General Transcription Factors During Spermatogenesis in the Mouse1 (2001)

TFIIAalpha/beta-like factor (ALF) is a testis-specific counterpart of the large subunit of human general transcription factor TFIIA. Northern analysis shows that ALF mRNA first appears in mouse testis at Postnatal Day 14. Similarly, expression of the general transcription factors TBP, TRF2, TFIIAalpha/beta, TFIIAgamma, and TFIIIB(90) is also increased beginning at Postnatal Day 14, suggesting that there is a coordinated induction of many general transcription factors during male germ cell differentiation. Analysis of male germ cells separated by Staput sedimentation shows that ALF is present in pachytene spermatocytes and haploid spermatids. In addition, in situ hybridization experiments with adult mouse testis shows that ALF is present in haploid spermatids. Searches of the human genome sequence database using the basic local alignment search tool reveal that the ALF and TFIIAalpha/beta(GTF2A1) genes are both composed of nine exons, whereas the TFIIAgamma (GTF2A2) gene is composed of five exons. Furthermore, nucleotide and amino acid comparisons among human and mouse ALF, TFIIAalpha/beta, and TFIIAgamma cDNA sequences show that ALF has diverged more rapidly than either TFIIAalpha/beta or TFIIAgamma. Finally, the ALF and SBLF (Stoned B-Like Factor) sequences present in the chimeric SALF cDNA are both present on human chromosome 2, and an analysis of the corresponding genes suggests a model for the formation of SALF.
RNA interference: learning gene knock-down from cell physiology (2004)

SUMMARY: Over the past decade RNA interference (RNAi) has emerged as a natural mechanism for silencing gene expression. This ancient cellular antiviral response can be exploited to allow specific inhibition of the function of any chosen target gene. RNAi is proving to be an invaluable research tool, allowing much more rapid characterization of the function of known genes. More importantly, RNAi technology considerably bolsters functional genomics to aid in the identification of novel genes involved in disease processes.This review briefly describes the molecular principles underlying the biology of RNAi phenomenon and discuss the main technical issues regarding optimization of RNAi experimental design.
Gene Cloning and Functional Analysis of a SecondΔ6-Fatty Acid Desaturase from an Arachidonic Acid-producingMortierellaFungus (2003)

We demonstrated that Mortierella alpina 1S-4 has two delta 6-desaturases, which are involved in the desaturation of linoleic acid to gamma-linolenic acid. For one of the two delta 6-desaturases, designated as delta 6I, gene cloning and its heterologous expression in a fungus, Aspergillus oryzae, has previously been reported. In addition, we indicated in this paper that there is an isozyme of the two delta 6-desaturases, designated as delta 6II, in M. alpina 1S-4. The predicted amino acid sequences of the Mortierella delta 6-desaturases were similar to those of ones from other organisms, i.e. borage and Caenorhabditis elegans, and had a cytochrome b5-like domain at the N-terminus, being different from the yeast delta 9-desaturase, which has the corresponding domain at the C-terminus. The full-length delta 6II cDNA was expressed in A. oryzae, resulting in the accumulation of gamma-linolenic acid (which was not detected in the control Aspergillus) up to 37% of the total fatty acids. The analysis of real-time quantitative PCR (RTQ-PCR) showed that the quantity of delta 6I RNA was 2.4-, 9-, and 17-fold higher than that of delta 6II RNA on 2, 3, and 4 days in M. alpina 1S-4, respectively. M. alpina 1S-4 is the first fungus to be confirmed to have two functional delta 6-desaturase genes.
Cross-sectional imaging and spectroscopy of GaAs doping superlattices by scanning tunneling microscopy (1992)

The scanning tunneling microscope is used to image GaAs pn-doping superlattices, cleaved in ultrahigh vacuum. Current-voltage (I-V) measurements provide a detailed view of the variation in Fermi-level position across the superlattice. The I-V curves show the clear signature of nondepleted n- and p-type material, with depleted regions appearing at the interfaces between n- and p-type layers. The number of states available for tunneling is found to provide the major source of contrast in the images.
B cell peripheral tolerance is promoted by cathepsin B protease (2023)

B cells that bind soluble autoantigens receive chronic signaling via the B cell receptor (signal-1) in the absence of strong costimulatory signals (signal-2), and this leads to their elimination in peripheral tissues. The factors determining the extent of soluble autoantigen-binding B cell elimination are not fully understood. Here we demonstrate that the elimination of B cells chronically exposed to signal-1 is promoted by cathepsin B (Ctsb). Using hen egg lysozyme-specific (HEL-specific) immunoglobulin transgenic (MD4) B cells and mice harboring circulating HEL, we found improved survival and increased proliferation of HEL-binding B cells in Ctsb-deficient mice. Bone marrow chimera experiments established that both hematopoietic and nonhematopoietic sources of Ctsb were sufficient to promote peripheral B cell deletion. The depletion of CD4<sup>+</sup> T cells overcame the survival and growth advantage provided by Ctsb deficiency, as did blocking CD40L or removing CD40 from the chronically antigen-engaged B cells. Thus, we suggest that Ctsb acts extracellularly to reduce soluble autoantigen-binding B cell survival and that its actions restrain CD40L-dependent pro-survival effects. These findings identify a role for cell-extrinsic protease activity in establishing a peripheral self-tolerance checkpoint.
Multi-contrast imaging on dual-source photon-counting-detector (PCD) CT (2019)

Photon-counting-detector (PCD) CT can provide multiple energy bin data sets and allows single-acquisition, multiple-contrast-injection imaging using materials such as iodine, gadolinium and bismuth. However, due to technical limitations, PCDs can suffer from compromised energy-resolving capability, which degrades multicontrast imaging performance. In this work, we investigate the use of a dual-source (DS)-PCD system architecture with additional beam filtration to improve spectral separation among energy bin data sets, and quantify its performance for multi-contrast imaging. Experiments were performed using a CT phantom including various concentrations of iodine (I), gadolinium (Gd) and bismuth (Bi). The DS-PCD architecture was emulated by scanning the same phantom twice on a single-source (SS) PCD-CT with two different tube potentials: 80 kV (energy thresholds = 25/50 keV), and 140 kV (energy thresholds = 25/90 keV) with a 0.4-mm tin filter. We further compared material decomposition performance using the proposed DS-PCD approach with that of the current SS-PCD approach. For the SS-PCD, chess mode with 4 energy bins was used, with energy thresholds of 25/50/75/90 keV to resolve the K-edges of Gd and Bi. The mean energies of the four energy bins in SS-PCD were 72/76/93/109 keV, while those of the four energy bins using DS-PCD were 57/64/88/111 keV, denoting a better spectral separation using DS-PCD. The material quantification root mean square error (RMSE) was reduced from 4.5/3.3/1.2 mg/mL for iodine/Gd/Bi using SS-PCD, to 1.4/1.2/1.1 mg/mL using DS-PCD. These results demonstrate that the DS-PCD can improve multi-contrast imaging performance compared to a SS-PCD acquisition.
Direct Dimethyl Ether Polymer Electrolyte Fuel Cells for Portable Applications (2003)

Dimethyl ether (DME) is a potential fuel for direct oxidation fuel cells that combines the main advantages of hydrogen (pumpless fuel delivery) and methanol (high energy density storage). DME also has low toxicity compared to methanol, making it a potential fuel for portable applications. This paper describes performance aspects and limitations of the DME fuel cell. At the anode, there is a critical balance between water and DME availability for reaction that suggests a thin electrolyte to promote back diffusion of water to the anode is desirable for high performance. However, excessive DME or DME intermediate crossover reaction losses with a Pt/Ru anode and Pt cathode catalyst preclude use of the thinnest electrolytes available. © 2003 The Electrochemical Society. All rights reserved.
Oct-2 and Bob-1 deficiency in Hodgkin and Reed Sternberg cells. (2001)

Hodgkin and Reed Sternberg (H-RS) cells represent the malignant cells in classical Hodgkin's disease. Although derived from germinal center B cells, they do not express surface immunoglobulin. This has been explained by the presence of crippling mutations within the immunoglobulin genes in numerous cases of Hodgkin's disease. As immunoglobulin gene expression in B cells requires an interaction between octamer sites and the transactivating factors Oct-2 and Bob-1, this study addresses the expression of the transcription factors Oct-2 and Bob-1 in H-RS cells. In Hodgkin's disease-derived cell lines, low levels of Oct-2 transcripts but no Oct-2 protein were detected. Transcripts of Bob-1, a B-cell-specific co-factor of Oct-2, could not be observed in these cell lines. Absence of Oct-2 and Bob-1 protein expression in primary H-RS cells was demonstrated by performing immunohistochemistry in 20 cases of classical Hodgkin's disease. H-RS cells stained negative for both proteins in all of the cases analyzed. In conclusion, absence of functional Oct-2 and Bob-1 cells represents a novel mechanism for immunoglobulin gene deregulation in H-RS cells. Lack of Oct-2 and Bob-1 points to a defect in transcription machinery in H-RS cells and is associated with lack of immunoglobulin gene expression in these cells.
RNA chip: quality assessment of RNA by microchannel linear gel electrophoresis in injection-molded plastic chips. (1998)

Two major components of rRNA (18S and 28S rRNA) were separated by electrophoresis in injection-molded acrylic chips with a microchannel 100 microm in width, 40 microm in depth, and with 1 cm of separation distance. Microchannels were filled with 4 g/L hydroxypropylmethylcellulose as sieving polymer and 5 mg/L ethidium bromide for RNA staining. The fluorescent signals were detected by a fluorescent microscope equipped with a photometer and 590 nm emission filter. The assay is rapid (<3 min), reproducible, RNase-free, and requires only 1-2 microL of sample. The detection limit was approximately 10 mg/L (10 ng/microL), 100-fold lower than that for conventional agarose gel electrophoresis. Because only 0.1 nL of the loaded sample was used for electrophoresis, the detectable peaks of rRNA in the separation were derived from less RNA than in a single cell. Because the quality of RNA is critical for RNA-related diagnostic tests, disposable plastic chips will be useful for quality assessment of RNA.
Pharmacokinetics of clarithromycin and zidovudine in patients with AIDS (1995)

The interrelationships between the pharmacokinetics of zidovudine alone and of zidovudine plus clarithromycin were evaluated with 18 volunteers with AIDS who had no infection with Mycobacterium avium complex or clinical evidence of gastroenteritis. Patients received 200 mg of zidovudine orally every 8 h on days 1 to 4 and 1,000 mg of clarithromycin every 12 h, given 2 h apart from zidovudine, on days 2 to 4. Concentrations of zidovudine in plasma were measured at steady state both prior to (phase 1, day 1) and during (phase 2, day 4) administration of clarithromycin. Levels of clarithromycin were measured at steady state on day 4. The maximum concentrations of zidovudine in plasma were significantly different in phases 1 and 2 (616.6 and 949.0 ng/ml, respectively), as were the times to the maximum concentrations of zidovudine (2.1 and 1.0 h, respectively). However, the minimum concentrations in plasma and the areas under the concentration-time curves from 0 to 6 h did not differ on days 1 and 4. There is no significant impact on the overall bioavailability of zidovudine from the addition of clarithromycin in patients with AIDS. Clarithromycin may increase the rate of zidovudine absorption, but this is unlikely to have clinical relevance.
Elevated lipoprotein(a)-associated accelerated thromboangiitis: A case report (2018)

We describe a 47-year-old African American woman affected by a rapidly progressing thromboangiitis associated with high serum levels of lipoprotein(a) (Lp(a)).
Comparison between an open-cage electrode lithotripter and an encapsulated electrode lithotripter (2004)

We compare the acoustic and cavitation field of two electrohydraulic lithotripters: one employed an open-cage electrode (OCE) and the other an encapsulated electrode (ECE). Acoustic pressure was measured with a fiberoptic probe hydrophone and cavitation using a passive detector consisting of two confocal transducers. The focused shock waves (FSW) of the two lithotripters were similar in shape and at 20 kV, peak positive pressure (P+) for the OCE was 23.2±4.4 MPa and peak negative pressure (P−) was 9.0±1.5 MPa. For the ECE the peak pressures were 30.8±9.4 and −8.2±1.3 MPa, respectively. However, the direct waves (DW) were different. The OCE-DW was triangular shaped and almost entirely positive pressure, whereas the ECE-DW consisted of numerous cycles and had a peak negative pressure of 1.3 MPa. For both electrodes the passive cavitation measurements exhibited two acoustic emissions characteristic of inertial collapses. For the OCE the first emission was weak (in comparison to the second emission) and was attributed to scattering of the FSW. For the ECE both emissions were of similar amplitude, indicating that the DW generated cavitation bubbles that were forced to a violent collapse by the FSW. The ECE produces two violent cavitation events for every shock wave. [Work supported by HMT and NIH.]
A Study on Patent Analysis Method of Solar Cell (2007)

This paper researches the fields of solar cell based on the data of patent literature.Besides conventional methods of information analysis such as statistic,associate and so on,this paper adopts some new methods and some conclusions that what is the main technology development trend and what the key companies are doing,are obtained which is useful for leader when they making-decisions.
Potassium Channels And Their Modulators (1996)

The synthesis and chemistry of benzopyran and related potassium channel activators, D.G. Smith SAR of benzopyran potassium channel activators, J.M. Evans and G. Stemp synthesis and SAR of pyridine-based potassium channel activators, M.N. Palfreyman conformational studies of potassium channel activators, C. Edge synthesis and SAR of potassium channel blockers, R. Crossley and A. Opalko molecular biology of potassium channels, R. Latorre electrophysiology of potassium channels, P.I. Aaronson and C.D. Benham vascular effects of potassium channel activators - in vitro, U. Quast vascular effects of potassium channel activators - in vivo, J.C. Clapham cardiac potassium channel modulation - potential for antiarrhythmic therapy, M.C. Sanguinetti and J. Salata cardiac effects of potassium channel modulators - anti-ischaemic, G. Gross potassium channel activators - airway pharmacology and bronchial asthma, J.R.S. Arch potassium channel modulators and the pancreas, J. Dunne potassium channel activators and the genitourinary tract, A.F. Brading and W.H. Turner potassium channel activators and the CNS, H. Herdon and N. Upton potassium channel modulators - clinical experiences and future prospects, J. Colatsky and T.C. Hamilton.
Ctherm: An Integrated Framework for Thermal-Functional Co-simulation of Systems-on-Chip (2015)

This paper presents therm, an integrated framework for cycle-accurate thermal and functional evaluation of systems-on-chip. The presented framework enables accurate characterization of thermal behaviour by generating detailed physical models for components based on input specifications, and simulating them within a tightly integrated co-simulation platform with an embedded thermal simulator. Therm's fine-grained modelling approach yields 70% higher accuracy in hotspot resolution as compared to conventional approaches that abstract component internals. Simulation runtime time is reduced by up to 36% over conventional continuous approaches through the use of thermal check pointing, enabling the fast-forwarding of thermal simulations without loss of thermal continuity.
Micro-Clotting of Platelet-Rich Plasma Upon Loading in Hydrogel Microspheres Leads to Prolonged Protein Release and Slower Microsphere Degradation (2020)

Platelet-rich plasma (PRP) is an autologous blood product that contains a variety of growth factors (GFs) that are released upon platelet activation. Despite some therapeutic potential of PRP in vitro, in vivo data are not convincing. Bolus injection of PRP is cleared rapidly from the body diminishing its therapeutic efficacy. This highlights a need for a delivery vehicle for a sustained release of PRP to improve its therapeutic effect. In this study, we used microfluidics to fabricate biodegradable PRP-loaded polyethylene glycol (PEG) microspheres. PRP was incorporated into the microspheres as a lyophilized PRP powder either as is (powder PRP) or first solubilized and pre-clotted to remove clots (liquid PRP). A high PRP loading of 10% <i>w</i>/<i>v</i> was achieved for both PRP preparations. We characterized the properties of the resulting PRP-loaded PEG microspheres including swelling, modulus, degradation, and protein release as a function of PRP loading and preparation. Overall, loading powder PRP into the PEG microspheres significantly affected the properties of microspheres, with the most pronounced effect noted in degradation. We further determined that microsphere degradation in the presence of powder PRP was affected by platelet aggregation and clotting. Platelet aggregation did not prevent but prolonged sustained PRP release from the microspheres. The delivery system developed and characterized herein could be useful for the loading and releasing of PRP to promote tissue regeneration and wound healing or to suppress tissue degeneration in osteoarthritis, and intervertebral disc degeneration.