Journal articles: 'Compound numbers'

1

Biswas, Ranjit. "Birth of Compound Numbers." Turkish Journal of Analysis and Number Theory 2, no. 6 (January 22, 2016): 208–19. http://dx.doi.org/10.12691/tjant-2-6-4.

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Eichenauer-Herrmann, Jürgen, and Eva Herrmann. "Compound cubic congruential pseudorandom numbers." Computing 59, no. 1 (March 1997): 85–90. http://dx.doi.org/10.1007/bf02684405.

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Eichenauer-Herrmann, J�rgen. "Compound nonlinear congruential pseudorandom numbers." Monatshefte f�r Mathematik 117, no. 3-4 (September 1994): 213–22. http://dx.doi.org/10.1007/bf01299703.

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Kushnir, D. V., S. N. Shemyakin, and G. A. Orlov. "SOME ASPECTS OF SCREENING COMPOUND NUMBERS." Vestnik Sankt-Peterburgskogo gosudarstvennogo universiteta tekhnologii i dizaina. Seriya 1: Estestvennye i tekhnicheskie nauki, no. 1 (2020): 25–28. http://dx.doi.org/10.46418/2079-8199_2020_1_4.

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Keyser, Paul T. "Compound Numbers and Numerals in Greek." Syllecta Classica 26, no. 1 (2015): 113–75. http://dx.doi.org/10.1353/syl.2015.0002.

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Ramos, J. I. "Compound liquid jets at low Reynolds numbers." Polymer 43, no. 9 (April 2002): 2889–96. http://dx.doi.org/10.1016/s0032-3861(02)00086-1.

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Eichenauer-Herrmann, Jürgen, Frank Emmerich, and Gerhard Larcher. "Average Discrepancy, Hyperplanes, and Compound Pseudorandom Numbers." Finite Fields and Their Applications 3, no. 3 (July 1997): 203–18. http://dx.doi.org/10.1006/ffta.1997.0180.

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Eichenauer-Herrmann, Jürgen, and Gerhard Larcher. "Average Behaviour of Compound Nonlinear Congruential Pseudorandom Numbers." Finite Fields and Their Applications 2, no. 1 (January 1996): 111–23. http://dx.doi.org/10.1006/ffta.1996.0008.

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9

Eichenauer-Herrmann, J. "Explicit inversive congruential pseudorandom numbers: the compound approach." Computing 51, no. 2 (June 1993): 175–82. http://dx.doi.org/10.1007/bf02243851.

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Pedroso, Luma A., Vicente P. Campos, Aline F. Barros, Júlio C. Justino, and Letícia L. de Paula. "Activity against Meloidogyne incognita of volatile compounds produced during amendment of soil with castor bean cake." Nematology 22, no. 5 (June 15, 2020): 505–14. http://dx.doi.org/10.1163/15685411-00003319.

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Summary Incorporation of castor bean cake into the soil results in the emission of four main compounds: skatole, γ-decalactone, 4-methylphenol and phenol. The toxic effects of these compounds on the life cycle of Meloidogyne incognita were studied here. Only phenol did not reduce hatching of M. incognita second-stage juveniles (J2) at any of the concentrations tested. The other compounds reduced J2 hatching by 42.1 to 59.3% at the highest concentrations. When J2 were immersed in Tween 80® solutions of each compound, at their respective LC50 values and inoculated into soil with tomato plants, reductions in the numbers of galls (48.5-69.3%) and eggs (42.8-62.5%) were observed in comparison with the control; this result was similar to that of carbofuran. The highest reductions in the numbers of galls (21.8-88.5%) and eggs (49.6-98.9%) occurred with all compounds when the highest concentration (500 mg l−1) was applied to the substrate at the moment of J2 inoculation. Volatile compounds of γ-decalactone and skatole failed to cause J2 immobility or mortality. However, phenol caused 95.8% and 4-methylphenol caused 100% mortality. With fumigation, the highest concentration (1000 mg (l substrate)−1) of any tested compound reduced gall numbers at a similar rate to the nematicide dazomet (98.7-100%) and reduced egg numbers (87.1-99.7%). The volatile compounds skatole, γ-decalactone, 4-methylphenol and phenol have a nematicidal effect on the life cycle of M. incognita and alter its pathogenic behaviour on the plant.

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Zhang, Yu-Liang, and Wen-Guang Li. "An analytical method for determining the optimum number of blades of the compound impeller in a low specific speed centrifugal pump." Proceedings of the Institution of Mechanical Engineers, Part E: Journal of Process Mechanical Engineering 234, no. 6 (June 21, 2020): 576–87. http://dx.doi.org/10.1177/0954408920934665.

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Reasonable methods for determining the optimum number of blades in a low specific speed centrifugal pump with closed-type impeller with splitters, i.e. compound impeller have been rather rare in the literature so far. In the article, a new analytical method was put forward to determine such an optimum number of blades by including the effect of turbulent boundary layer over impeller blades. Three conventional impellers with different numbers of full-length blades and two compound impellers with different numbers of splitters were designed and manufactured. The corresponding performance tests were then conducted. Results showed that the optimum numbers of blades exist for two kinds of impeller in terms of head at design point, pump efficiencies at design point and best efficiency point, and slope of head-flow rate curve at shut-off point. The estimated optimum numbers of blades are in good agreement with the numbers based on the experiments. The conventional impellers with full-length blades are more prone to the hump phenomenon than the compound impellers at the optimum numbers of blades. For the compound impellers, however, the hump effect is negligible at the optimum number of blades, and their head and efficiency are higher than those for the impellers with full-length blades. The method is applicable to compound impeller design in low specific speed centrifugal pumps.

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Wang, Shyue-Liang, and Yu-Jane Tsai. "Null Queries with Compound Fuzzy Attributes." Journal of Advanced Computational Intelligence and Intelligent Informatics 3, no. 6 (December 20, 1999): 509–14. http://dx.doi.org/10.20965/jaciii.1999.p0509.

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We present a generalized approach for handling null queries that contain compound fuzzy attributes. Null queries elicit a null answer from the database. Compound fuzzy attributes are ambiguous attributes not defined in the original database schema but derived from multiple rigid attributes in a schema. Compound fuzzy attributes derived from simple numbers were studied by Nomura11). We extend compound fuzzy attributes so they can be derived from numbers, interval values, scalars, and sets of all these data types. Database management systems that handle this type of ambiguous attributes in null queries both reduce occurrences of null answers and provide an improved user-friendly query environment.

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Roos, Małgorzata. "Compound poisson approximations for the numbers of extreme spacings." Advances in Applied Probability 25, no. 04 (December 1993): 847–74. http://dx.doi.org/10.1017/s0001867800025787.

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The accuracy of the Poisson approximation to the distribution of the numbers of large and small m-spacings, when n points are placed at random on the circle, was analysed using the Stein–Chen method in Barbour et al. (1992b). The Poisson approximation for m≧2 was found not to be as good as for 1-spacings. In this paper, rates of approximation of these distributions to suitable compound Poisson distributions are worked out, using the CP–Stein–Chen method and an appropriate coupling argument. The rates are better than for Poisson approximation for m≧2, and are of order O((log n)2/n) for large m-spacings and of order O(1/n) for small m-spacings, for any fixed m≧2, if the expected number of spacings is held constant as n → ∞.

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Eichenauer-Herrmann, Jürgen, and Frank Emmerich. "Compound inversive congruential pseudorandom numbers: an average-case analysis." Mathematics of Computation 65, no. 213 (January 1, 1996): 215–26. http://dx.doi.org/10.1090/s0025-5718-96-00675-8.

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15

Eichenauer-Herrmann, Jürgen, and Gerhard Larcher. "Average equidistribution properties of compound nonlinear congruential pseudorandom numbers." Mathematics of Computation 66, no. 217 (January 1, 1997): 363–73. http://dx.doi.org/10.1090/s0025-5718-97-00802-8.

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16

Roos, Małgorzata. "Compound poisson approximations for the numbers of extreme spacings." Advances in Applied Probability 25, no. 4 (December 1993): 847–74. http://dx.doi.org/10.2307/1427795.

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The accuracy of the Poisson approximation to the distribution of the numbers of large and small m-spacings, when n points are placed at random on the circle, was analysed using the Stein–Chen method in Barbour et al. (1992b). The Poisson approximation for m≧2 was found not to be as good as for 1-spacings. In this paper, rates of approximation of these distributions to suitable compound Poisson distributions are worked out, using the CP–Stein–Chen method and an appropriate coupling argument. The rates are better than for Poisson approximation for m≧2, and are of order O((log n)2/n) for large m-spacings and of order O(1/n) for small m-spacings, for any fixed m≧2, if the expected number of spacings is held constant as n → ∞.

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17

Niederreiter, Harald, and Arne Winterhof. "On the Distribution of Compound Inversive Congruential Pseudorandom Numbers." Monatshefte f�r Mathematik 132, no. 1 (April 19, 2001): 35–48. http://dx.doi.org/10.1007/s006050170057.

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18

Tutel, Yusuf, Gökhan Sevinç, Betül Küçüköz, Elif Akhuseyin Yildiz, Ahmet Karatay, Fatih Mehmet Dumanoğulları, Halil Yılmaz, Mustafa Hayvali, and Ayhan Elmali. "Ultrafast Electron/Energy Transfer and Intersystem Crossing Mechanisms in BODIPY-Porphyrin Compounds." Processes 9, no. 2 (February 8, 2021): 312. http://dx.doi.org/10.3390/pr9020312.

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Meso-substituted borondipyrromethene (BODIPY)-porphyrin compounds that include free base porphyrin with two different numbers of BODIPY groups (BDP-TTP and 3BDP-TTP) were designed and synthesized to analyze intramolecular energy transfer mechanisms of meso-substituted BODIPY-porphyrin dyads and the effect of the different numbers of BODIPY groups connected to free-base porphyrin on the energy transfer mechanism. Absorption spectra of BODIPY-porphyrin conjugates showed wide absorption features in the visible region, and that is highly valuable to increase light-harvesting efficiency. Fluorescence spectra of the studied compounds proved that BODIPY emission intensity decreased upon the photoexcitation of the BODIPY core, due to the energy transfer from BODIPY unit to porphyrin. In addition, ultrafast pump-probe spectroscopy measurements indicated that the energy transfer of the 3BDP-TTP compound (about 3 ps) is faster than the BDP-TTP compound (about 22 ps). Since the BODIPY core directly binds to the porphyrin unit, rapid energy transfer was seen for both compounds. Thus, the energy transfer rate increased with an increasing number of BODIPY moiety connected to free-base porphyrin.

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Kunig, Verena, Marco Potowski, Anne Gohla, and Andreas Brunschweiger. "DNA-encoded libraries – an efficient small molecule discovery technology for the biomedical sciences." Biological Chemistry 399, no. 7 (June 27, 2018): 691–710. http://dx.doi.org/10.1515/hsz-2018-0119.

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Abstract DNA-encoded compound libraries are a highly attractive technology for the discovery of small molecule protein ligands. These compound collections consist of small molecules covalently connected to individual DNA sequences carrying readable information about the compound structure. DNA-tagging allows for efficient synthesis, handling and interrogation of vast numbers of chemically synthesized, drug-like compounds. They are screened on proteins by an efficient, generic assay based on Darwinian principles of selection. To date, selection of DNA-encoded libraries allowed for the identification of numerous bioactive compounds. Some of these compounds uncovered hitherto unknown allosteric binding sites on target proteins; several compounds proved their value as chemical biology probes unraveling complex biology; and the first examples of clinical candidates that trace their ancestry to a DNA-encoded library were reported. Thus, DNA-encoded libraries proved their value for the biomedical sciences as a generic technology for the identification of bioactive drug-like molecules numerous times. However, large scale experiments showed that even the selection of billions of compounds failed to deliver bioactive compounds for the majority of proteins in an unbiased panel of target proteins. This raises the question of compound library design.

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Howe, Stephanie, Dorina Zöphel, Harini Subbaraman, Clemens Unger, Jana Held, Thomas Engleitner, Wolfgang H. Hoffmann, and Andrea Kreidenweiss. "Lactate as a Novel Quantitative Measure of Viability in Schistosoma mansoni Drug Sensitivity Assays." Antimicrobial Agents and Chemotherapy 59, no. 2 (December 8, 2014): 1193–99. http://dx.doi.org/10.1128/aac.03809-14.

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ABSTRACTWhole-organism compound sensitivity assays are a valuable strategy in infectious diseases to identify active molecules. In schistosomiasis drug discovery, larval-stageSchistosomaallows the use of a certain degree of automation in the screening of compounds. Unfortunately, the throughput is limited, as drug activity is determined by manual assessment ofSchistosomaviability by microscopy. To develop a simple and quantifiable surrogate marker for viability, we targeted glucose metabolism, which is central toSchistosomasurvival. Lactate is the end product of glycolysis in humanSchistosomastages and can be detected in the supernatant. We assessed lactate as a surrogate marker for viability inSchistosomadrug screening assays. We thoroughly investigated parameters of lactate measurement and performed drug sensitivity assays by applying schistosomula and adult worms to establish a proof of concept. Lactate levels clearly reflected the viability of schistosomula and correlated with schistosomulum numbers. Compounds with reported potencies were tested, and activities were determined by lactate assay and by microscopy. We conclude that lactate is a sensitive and simple surrogate marker to be measured to determineSchistosomaviability in compound screening assays. Low numbers of schistosomula and the commercial availability of lactate assay reagents make the assay particularly attractive to throughput approaches. Furthermore, standardization of procedures and quantitative evaluation of compound activities facilitate interassay comparisons of potencies and, thus, concerted drug discovery approaches.

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N'Faoui, Fatima-Ezahra, Jilali Aride, Ali Boukhari, M'Hamed Taibi, Mohamed Saadi, and Lahcen El Ammari. "Crystal structure of Ba2Co(BO3)2." Acta Crystallographica Section E Crystallographic Communications 75, no. 3 (February 22, 2019): 388–91. http://dx.doi.org/10.1107/s2056989019002597.

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Single crystals of dibarium cobalt(II) bis(orthoborate), Ba2Co(BO3)2, have been obtained from the melt. The crystal structure is composed of two isolated (BO3)3− triangles linked to Co2+ cations. The resulting [CoO5] square pyramids and the borate anions make up branched rows extending parallel to [010]. The barium cations occupy two sites in the voids of this arrangement and exhibit coordination numbers of nine each. A comparison with the structures of other A 2 M(BO3)2 compounds reveals a unique five-coordination of the small metal M in the title compound instead of four- or six-coordination for the other A 2 M(BO3)2 compounds with M = Cu, Zn, Mg, Ca, or Cd.

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HERRADA, M. A., J. M. MONTANERO, C. FERRERA, and A. M. GAÑÁN-CALVO. "Analysis of the dripping–jetting transition in compound capillary jets." Journal of Fluid Mechanics 649 (April 13, 2010): 523–36. http://dx.doi.org/10.1017/s0022112010000443.

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We examine the behaviour of a compound capillary jet from the spatio-temporal linear stability analysis of the Navier–Stokes equations. We map the jetting–dripping transition in the parameter space by calculating the Weber numbers for which the convective/absolute instability transition occurs. If the remaining dimensionless parameters are set, there are two critical Weber numbers that verify Brigg's pinch criterion. The region of absolute (convective) instability corresponds to Weber numbers smaller (larger) than the highest value of those two Weber numbers. The stability map is affected significantly by the presence of the outer interface, especially for compound jets with highly viscous cores, in which the outer interface may play an important role even though it is located very far from the core. Full numerical simulations of the Navier–Stokes equations confirm the predictions of the stability analysis.

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Hu, Ye, and Jürgen Bajorath. "Analyzing compound activity records and promiscuity degrees in light of publication statistics." F1000Research 5 (June 6, 2016): 1227. http://dx.doi.org/10.12688/f1000research.8792.1.

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For the generation of contemporary databases of bioactive compounds, activity information is usually extracted from the scientific literature. However, when activity data are analyzed, source publications are typically no longer taken into consideration. Therefore, compound activity data selected from ChEMBL were traced back to thousands of original publications, activity records including compound, assay, and target information were systematically generated, and their distributions across the literature were determined. In addition, publications were categorized on the basis of activity records. Furthermore, compound promiscuity, defined as the ability of small molecules to specifically interact with multiple target proteins, was analyzed in light of publication statistics, thus adding another layer of information to promiscuity assessment. It was shown that the degree of compound promiscuity was not influenced by increasing numbers of source publications. Rather, most non-promiscuous as well as promiscuous compounds, regardless of their degree of promiscuity, originated from single publications, which emerged as a characteristic feature of the medicinal chemistry literature.

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Hu, Ye, and Jürgen Bajorath. "Analyzing compound activity records and promiscuity degrees in light of publication statistics." F1000Research 5 (August 10, 2016): 1227. http://dx.doi.org/10.12688/f1000research.8792.2.

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For the generation of contemporary databases of bioactive compounds, activity information is usually extracted from the scientific literature. However, when activity data are analyzed, source publications are typically no longer taken into consideration. Therefore, compound activity data selected from ChEMBL were traced back to thousands of original publications, activity records including compound, assay, and target information were systematically generated, and their distributions across the literature were determined. In addition, publications were categorized on the basis of activity records. Furthermore, compound promiscuity, defined as the ability of small molecules to specifically interact with multiple target proteins, was analyzed in light of publication statistics, thus adding another layer of information to promiscuity assessment. It was shown that the degree of compound promiscuity was not influenced by increasing numbers of source publications. Rather, most non-promiscuous as well as promiscuous compounds, regardless of their degree of promiscuity, originated from single publications, which emerged as a characteristic feature of the medicinal chemistry literature.

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GÖHLICH, H., T. LANGE, T. BERGMANN, and T. P. MARTIN. "EVIDENCE FOR MAGIC NUMBERS IN THE ELECTRONIC SHELL STRUCTURE OF LARGE CESIUM AND SODIUM CLUSTERS." Modern Physics Letters B 05, no. 02 (January 20, 1991): 101–5. http://dx.doi.org/10.1142/s0217984991000137.

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Magic numbers in cluster mass spectra can be caused by either geometric or electronic structure. The study of metallic compound clusters allows the number of atoms and the number of electrons in clusters to be controlled independently. We report magic numbers in the mass spectra of Cs-compound clusters and pure Na clusters containing up to 700 free electrons.

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Kruglov, Vasiliy I. "On coincidences of tuples in a q-ary tree with random labels of vertices." Discrete Mathematics and Applications 28, no. 5 (October 25, 2018): 293–307. http://dx.doi.org/10.1515/dma-2018-0026.

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Abstract Let all vertices of a complete q-ary tree of finite height be independently and equiprobably labeled by the elements of some finite alphabet. We consider the numbers of pairs of identical tuples of labels on chains of subsequent vertices in the tree. Exact formulae for the expectations of these numbers are obtained, convergence to the compound Poisson distribution is proved. For the size of cluster composed by pairs of identically labeled chains we also obtain exact formula for the expectation.

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Korol, Svitlana. "COMPOUND NOUNS IN GERMAN LANGUAGE." Naukovì zapiski Nacìonalʹnogo unìversitetu «Ostrozʹka akademìâ». Serìâ «Fìlologìâ» 1, no. 10(78) (February 27, 2020): 124–27. http://dx.doi.org/10.25264/2519-2558-2020-10(78)-124-127.

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The article deals with one of the most common types of word formation in German as word compounding. Compound nouns have become the object of study, as this part of the language leads the way in the formation of new words in this way. The relevance of the research is reinforced by the fact that German compound nouns differ by their multicomponent structure and are in the process of regular growth of their numbers, so they are attracting the attention of Germanists of different generations continuously. The study has examined the nature of the component composition of composites, the types of bonding between components, the types of constituent components, the role of the connecting element, the syllable’s accentuation of components of the compound noun etc. The compound can be built from nouns, adjectives, verbs or an invariable element (prepositions). There is no limit of the number of the associated words. The last word in the compound always determines the gender and plural form of the compound noun. The connectors or linking elements in existing German compound words often correspond to old case endings (e.g., plural, genitive). These endings expressed the relationship of the compound parts to one another. The article considers the causes of the formation of complex nouns. Compounds make the German language more flexible. In general, compounds are used to convey more information in one word and for reasons of language economy. Special attention deserves such a phenomenon as Denglish. This is the mashing of words from the two languages to create new hybrid words.

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Ramos, J. I. "Asymptotic analysis of compound liquid jets at low Reynolds numbers." Applied Mathematics and Computation 100, no. 2-3 (May 1999): 223–40. http://dx.doi.org/10.1016/s0096-3003(98)00022-8.

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Ramos, J. I. "Nonlinear dynamics of hollow, compound jets at low Reynolds numbers." International Journal of Engineering Science 39, no. 12 (August 2001): 1289–314. http://dx.doi.org/10.1016/s0020-7225(00)00099-9.

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Eichenauer-Herrmann, J. "A Unified Approach to the Analysis of Compound Pseudorandom Numbers." Finite Fields and Their Applications 1, no. 1 (January 1995): 102–14. http://dx.doi.org/10.1006/ffta.1995.1007.

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Moehkardi, Rio Rini Diah. "Patterns and Meanings of English Words through Word Formation Processes of Acronyms, Clipping, Compound and Blending Found in Internet-Based Media." Jurnal Humaniora 28, no. 3 (February 25, 2017): 324. http://dx.doi.org/10.22146/jh.v28i3.22287.

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This research aims to explore the word-formation process in English new words found in the internet-based media through acronym, compound, clipping and blending and their meanings. This study applies Plag’s (2002) framework of acronym and compound; Jamet’s (2009) framework of clipping, and Algeo’s framework (1977) in Hosseinzadeh (2014) for blending. Despite the formula established in each respective framework, there could be occurrences of novelty and modification on how words are formed and how meaning developed in the newly formed words. The research shows that well accepted acronyms can become real words by taking lower case and affixation. Some acronyms initialized non-lexical words, used non initial letters, and used letters and numbers that pronounced the same with the words they represent. Compounding also includes numbers as the element member of the compound. The nominal nouns are likely to have metaphorical and idiomatic meanings. Some compounds evolve to new and more specific meaning. The study also finds that back-clipping is the most dominant clipping. In blending, the sub-category clipping of blending, the study finds out that when clipping takes place, the non-head element is back-clipped and the head is fore-clipped.

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Manjula, J., and R. Maheswari. "BIOLOGICAL AND DOCKING STUDIES OF NOVEL AROYLHYDRAZONES." International Journal of Pharmacy and Pharmaceutical Sciences 9, no. 5 (May 1, 2017): 81. http://dx.doi.org/10.22159/ijpps.2017v9i5.10862.

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Objective: Novel aroylhydrazone schiff bases were synthesized and were screened for their biological activities.Methods: Using HCl as a catalyst, all the compounds were synthesized at room temperature and were characterized by IR and NMR techniques. The synthesized Schiff bases were screened for antibacterial, antifungal activities. In silico molecular docking, method was performed to study their anti-tuberculosis activity against enoyl acyl carrier protein reductase (InhA) from Mycobacterium tuberculosis (PDB id: 2NSD). Results: Compound P1 showed good antibacterial activity against gram positive (S. aureus) and gram negative (E. coli) bacterial strains and compound J1 showed good antifungal activity against A. niger. Molecular docking results reveal that compound B1 made two numbers of electrostatic interactions with 2NSD with more negative C docker interaction value. This indicated that the compound B1 was more active with minimum binding potential which is comparable with that of standard compound isoniazid.Conclusion: Aroylhydrazones having good biologically activities compared to that of standards were prepared.

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Inoue, Kiyoshi, and Sigeo Aki. "On Generating Functions of Waiting Times and Numbers of Occurrences of Compound Patterns in a Sequence of Multistate Trials." Journal of Applied Probability 44, no. 01 (March 2007): 71–81. http://dx.doi.org/10.1017/s0021900200002722.

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In this paper we study two distributions, namely the distribution of the waiting times until given numbers of occurrences of compound patterns and the distribution of the numbers of occurrences of compound patterns in a fixed number of trials. We elucidate the interrelation between these two distributions in terms of the generating functions. We provide perspectives on the problems related to compound patterns in statistics and probability. As an application, the waiting time problem of counting runs of specified lengths is considered in order to illustrate how the distributions of waiting times can be derived from our theoretical results.

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Inoue, Kiyoshi, and Sigeo Aki. "On Generating Functions of Waiting Times and Numbers of Occurrences of Compound Patterns in a Sequence of Multistate Trials." Journal of Applied Probability 44, no. 1 (March 2007): 71–81. http://dx.doi.org/10.1239/jap/1175267164.

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In this paper we study two distributions, namely the distribution of the waiting times until given numbers of occurrences of compound patterns and the distribution of the numbers of occurrences of compound patterns in a fixed number of trials. We elucidate the interrelation between these two distributions in terms of the generating functions. We provide perspectives on the problems related to compound patterns in statistics and probability. As an application, the waiting time problem of counting runs of specified lengths is considered in order to illustrate how the distributions of waiting times can be derived from our theoretical results.

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35

Jin, Huan, and Hunter N. B. Moseley. "Hierarchical Harmonization of Atom-Resolved Metabolic Reactions across Metabolic Databases." Metabolites 11, no. 7 (June 30, 2021): 431. http://dx.doi.org/10.3390/metabo11070431.

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Metabolic models have been proven to be useful tools in system biology and have been successfully applied to various research fields in a wide range of organisms. A relatively complete metabolic network is a prerequisite for deriving reliable metabolic models. The first step in constructing metabolic network is to harmonize compounds and reactions across different metabolic databases. However, effectively integrating data from various sources still remains a big challenge. Incomplete and inconsistent atomistic details in compound representations across databases is a very important limiting factor. Here, we optimized a subgraph isomorphism detection algorithm to validate generic compound pairs. Moreover, we defined a set of harmonization relationship types between compounds to deal with inconsistent chemical details while successfully capturing atom-level characteristics, enabling a more complete enabling compound harmonization across metabolic databases. In total, 15,704 compound pairs across KEGG (Kyoto Encyclopedia of Genes and Genomes) and MetaCyc databases were detected. Furthermore, utilizing the classification of compound pairs and EC (Enzyme Commission) numbers of reactions, we established hierarchical relationships between metabolic reactions, enabling the harmonization of 3856 reaction pairs. In addition, we created and used atom-specific identifiers to evaluate the consistency of atom mappings within and between harmonized reactions, detecting some consistency issues between the reaction and compound descriptions in these metabolic databases.

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Li, Fa Chao, Jing Li, and Bing Wu. "Ranking Method of Interval Numbers Based on Quantity Property." Applied Mechanics and Materials 63-64 (June 2011): 25–28. http://dx.doi.org/10.4028/www.scientific.net/amm.63-64.25.

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The uncertainty of objective environment and subjective recognition often leads to practical problems appeared in the form of interval numbers. Therefore, studying on the ranking of interval numbers has great worth in theory and practice. In this paper, firstly, we put forward a compound quantification description of interval numbers; furthermore, provide a ranking method based on quantity property and the basic principle this method must followed; after that, combining with the compound quantification description, we get an axiomatic system for the synthesizing problem of each index; finally, study on the structural method of synthesizing effect function, give two types of specific building criteria(i.e. additive and multiplicative model) and discuss the order-preserving property of this order structure.

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Chew, S. H., and Larry G. Epstein. "The law of large numbers and the attractiveness of compound gambles." Journal of Risk and Uncertainty 1, no. 1 (March 1988): 125–32. http://dx.doi.org/10.1007/bf00055567.

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Burger, Edward B. "On Mahler's compound bodies." Journal of the Australian Mathematical Society. Series A. Pure Mathematics and Statistics 55, no. 2 (October 1993): 183–215. http://dx.doi.org/10.1017/s144678870003202x.

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AbstractLet 1 ≤ M ≤ N − 1 be integers and K be a convex, symmetric set in Euclidean N-space. Associated with K and M, Mahler identified the Mth compound body of K, (K)m, in Euclidean (MN)-space. The compound body (K)M is describable as the convex hull of a certain subset of the Grassmann manifold in Euclidean (MN)-space determined by K and M. The sets K and (K)M are related by a number of well-known inequalities due to Mahler.Here we generalize this theory to the geometry of numbers over the adèle ring of a number field and prove theorems which compare an adelic set with its adelic compound body. In addition, we include a comparison of the adelic compound body with the adelic polar body and prove an adelic general transfer principle which has implications to Diophantine approximation over number fields.

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39

Abbas, Marwa K., Faroq M. K. Al-Habeeb, and Abdulkareem T. Yesser T. Yesser. "Determination of Polycyclic Aromatic Hydrocarbons (PAHs) in some Imported Fishes." Basrah Journal of Agricultural Sciences 32 (October 10, 2019): 236–46. http://dx.doi.org/10.37077/25200860.2019.168.

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Samples of frozen fish available in Kirkuk markets Shad Tenualosa ilisha (Hamilton), Mackerel Trachurus trachurus (Linnaeus), Rainbow trout Oncorhynchus mykiss (Walbaum) and striped catfish (Pangasianodon hypophtholmus (Sauvage). They collected for the period 1st May 2015o 30th January 2016 at weights average between 650-1250 g. The results showed many of carcinogenic and non-carcinogenic hydrocarbons compounds; Rainbow trout contained seven and nine of hydrocarbons compounds in the extracts of hexane and ethanol respectively, among them, there were five carcinogenic hydrocarbons in the ethanol extract and three in the hexane, their values ranged between 0.234-19.707 and 0.419-2.972 ng.g-1 dry weight respectively. Numbers of the hydrocarbons ranged between 4-6 in other fish species. This may due to the differences of nature of feeding among the fish species and the differences in their fat content. In Shad fish, the results have recorded one carcinogenic compound in the ethanol and five in the hexane, the concentration of Benzo (a) pyrene reached 24.23 ng.g-1 dry weight which is the most dangerous component among carcinogenic compound. Mackerel containsive compounds of hydrocarbons in the hexane; Four of them belong to the non-carcinogenic group and sixn ethanol, ive of them are non- carcinogenic. This study showed that differences in the numbers and concentrations of aromatic hydrocarbons in the studied fish. This is due to several reasons such as occurrences of fish near to the sources of hydrocarbons pollution the nature of fish feeding and living.

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40

Lee, Min-Ju, Wen-Ser Tseng, Jerry Lai, Hui-Ru Shieh, Chih-Wen Chi, and Yu-Jen Chen. "Differential Pharmacological Activities of Oxygen Numbers on the Sulfoxide Moiety of Wasabi Compound 6-(Methylsulfinyl) Hexyl Isothiocyanate in Human Oral Cancer Cells." Molecules 23, no. 10 (September 21, 2018): 2427. http://dx.doi.org/10.3390/molecules23102427.

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6-(methylsulfinyl) hexyl isothiocyanate (6-MITC) is a naturally occurring compound isolated from Wasabia japonica (wasabi). The synthetic derivatives, 6-(methylsulfenyl) hexyl isothiocyanate (I7447) and 6-(methylsulfonyl) hexyl isothiocyanate (I7557), were derived from 6-MITC with the deletion and addition of oxygen, respectively. We aimed to evaluate the effect of these synthetic compounds on human oral cancer cells, SAS and OECM-1. All three compounds (I7447, 6-MITC, and I7557) inhibited the viability of SAS and OECM-1 cells using MTT assay. Morphological observations showed various proportions of mitotic arrest and apoptosis in cells treated with these compounds. Cell cycle analysis revealed relatively abundant G2/M arrest in 6-MITC and I7557-treated cells, whereas sub-G1 accumulation was found in I7447-treated cells. In using phosphorylated histone H3 as a marker for mitosis, the addition of 6-MITC and I7557 (excluding I7447) could be shown to arrest cells during mitosis. In contrast, I7447 induced more prominent apoptosis than the 6-MITC or I7557 compounds. The down-regulated expression of the phosphorylated form of CHK1 and Cdc25c was noted in 6-MITC and I7557-treated cells. I7557 could sensitize SAS cells to death by radiation. The wasabi compound, 6-MITC, and its chemical derivatives with different numbers of oxygen may have differential pharmacological effects on human oral cancer cells.

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41

Adam, Gregory C., Juncai Meng, Joseph M. Rizzo, Adam Amoss, Jeffrey W. Lusen, Amita Patel, Daniel Riley, et al. "Use of High-Throughput Mass Spectrometry to Reduce False Positives in Protease uHTS Screens." Journal of Biomolecular Screening 20, no. 2 (October 21, 2014): 212–22. http://dx.doi.org/10.1177/1087057114555832.

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As a label-free technology, mass spectrometry (MS) enables assays to be generated that monitor the conversion of substrates with native sequences to products without the requirement for substrate modifications or indirect detection methods. Although traditional liquid chromatography (LC)–MS methods are relatively slow for a high-throughput screening (HTS) paradigm, with cycle times typically ≥60 s per sample, the Agilent RapidFire High-Throughput Mass Spectrometry (HTMS) System, with a cycle time of 5–7 s per sample, enables rapid analysis of compound numbers compatible with HTS. By monitoring changes in mass directly, HTMS assays can be used as a triaging tool by eliminating large numbers of false positives resulting from fluorescent compound interference or from compounds interacting with hydrophobic fluorescent dyes appended to substrates. Herein, HTMS assays were developed for multiple protease programs, including cysteine, serine, and aspartyl proteases, and applied as a confirmatory assay. The confirmation rate for each protease assay averaged <30%, independent of the primary assay technology used (i.e., luminescent, fluorescent, and time-resolved fluorescent technologies). Importantly, >99% of compounds designed to inhibit the enzymes were confirmed by the corresponding HTMS assay. Hence, HTMS is an effective tool for removing detection-based false positives from ultrahigh-throughput screening, resulting in hit lists enriched in true actives for downstream dose response titrations and hit-to-lead efforts.

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Rezaei Tavirani, Mostafa, Mona Zamanian Azodi, Mohammad Rostami-Nejad, Hamideh Morravej, Zahra Razzaghi, Farshad Okhovatian, and Majid Rezaei-Tavirani. "Introducing Serine as Cardiovascular Disease Biomarker Candidate via Pathway Analysis." Galen Medical Journal 9 (February 10, 2020): 1696. http://dx.doi.org/10.31661/gmj.v9i0.1696.

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Background: The rate of death due to cardiovascular disease (CVD) is growing. Investigations about CVD that leading to introduce varieties of metabolites is available. The monitoring of these metabolites to find effective ones in the future of clinic applications is the main aim of this study. Materials and Methods: Numbers of 34 metabolites for the CVD are extracted from literature and designated for interaction determinations by MetScape V 3.1.3. The compound-reaction-enzyme-gene network was constructed and the pathways were analyzed. Based on the presence of metabolites in the pathways the critical compounds were determined. Results: Pathway analysis revealed 18 disturbed pathways related to the CVD. glycerophospholipid metabolism pathway including 27 compounds is related to the 9 queried metabolites. L-Serine which was communed between 5 pathways and also was presented in the largest pathway was identified as the critical compound. Conclusion: It can be concluded that L-Serine is a proper biomarker candidate for CVD diagnosis and also patients follow up approaches. [GMJ.2020;9:e1696]

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Corvino, Angela, Ida Cerqua, Alessandra Lo Bianco, Giuseppe Caliendo, Ferdinando Fiorino, Francesco Frecentese, Elisa Magli, et al. "Antagonizing S1P3 Receptor with Cell-Penetrating Pepducins in Skeletal Muscle Fibrosis." International Journal of Molecular Sciences 22, no. 16 (August 17, 2021): 8861. http://dx.doi.org/10.3390/ijms22168861.

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S1P is the final product of sphingolipid metabolism, which interacts with five widely expressed GPCRs (S1P1-5). Increasing numbers of studies have indicated the importance of S1P3 in various pathophysiological processes. Recently, we have identified a pepducin (compound KRX-725-II) acting as an S1P3 receptor antagonist. Here, aiming to optimize the activity and selectivity profile of the described compound, we have synthesized a series of derivatives in which Tyr, in position 4, has been substituted with several natural aromatic and unnatural aromatic and non-aromatic amino acids. All the compounds were evaluated for their ability to inhibit vascular relaxation induced by KRX-725 (as S1P3 selective pepducin agonist) and KRX-722 (an S1P1-selective pepducin agonist). Those selective towards S1P3 (compounds V and VII) were also evaluated for their ability to inhibit skeletal muscle fibrosis. Finally, molecular dynamics simulations were performed to derive information on the preferred conformations of selective and unselective antagonists.

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44

Mohery, M., E. M. Sultan, and Shadiah S. Baz. "Study of multiplicity correlations in nucleus–nucleus interactions at high energy." International Journal of Modern Physics E 24, no. 06 (June 2015): 1550048. http://dx.doi.org/10.1142/s0218301315500482.

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In the present paper, some results on the correlations of the nucleus–nucleus interactions, at high energy, between different particle multiplicities are reported. The correlations between the multiplicities of the different charged particles emitted in the interactions of 22 Ne and 28 Si nuclei with emulsion at (4.1–4.5)A GeV/c have been studied. The correlations of the compound multiplicity nc, defined as the sum of both numbers of the shower particles ns and grey particles ng, have been investigated. The experimental data have been compared with the corresponding theoretical ones, calculated according to the modified cascade evaporation model (MCEM). An agreement has already been fairly obtained between the experimental values and the calculated ones. The dependence of the average compound multiplicity, on the numbers of shower, grey, black and heavy particles is obvious and the values of the slope have been found to be independent of the projectile nucleus. On the other hand, the variation of the average shower, grey, black and heavy particles is found to increase linearly with the compound particles. A strong correlation has been observed between the number of produced shower particles and the number of compound particles. Moreover, the value of the average compound multiplicity is found to increase with the increase of the projectile mass. Finally, an attempt has also been made to study the scaling of the compound multiplicity distribution showing that the compound multiplicity distribution is nearly consistent with the KNO scaling behavior.

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45

Guerrero, Sergio A., Carlos M. Sanabría, Alirio Palma, Justo Cobo, and Christopher Glidewell. "Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions." Acta Crystallographica Section C Structural Chemistry 70, no. 4 (March 25, 2014): 408–15. http://dx.doi.org/10.1107/s2053229614006007.

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(2R*,4S*)-Methyl 2,3,4,5-tetrahydro-1,4-epoxy-1H-benz[b]azepine-2-carboxylate, C12H13NO3, (I), and its reduction product (2R*,4S*)-methyl 4-hydroxy-2,3,4,5-tetrahydro-1H-benz[b]azepine-2-carboxylate, C12H15NO3, (II), both crystallize as single enantiomers in the space groupP212121, while the hydrolysis product (2RS,4SR)-4-hydroxy-2,3,4,5-tetrahydro-1H-benz[b]azepine-2-carboxylic acid, C11H13NO3, (III), and the lactone (2RS,5SR)-8-(trifluoromethoxy)-5,6-dihydro-1H-2,5-methanobenz[e][1,4]oxazocin-3(2H)-one, C12H10F3NO3, (IV), both crystallize as racemic mixtures in the space groupP21/c. The molecules of compound (IV) are linked into centrosymmetricR22(10) dimers by N—H...O hydrogen bonds, and those of compound (I) are linked into chains by C—H...π(arene) hydrogen bonds. A combination of O—H...O and O—H...N hydrogen bonds links the molecules of compound (III) into sheets containing equal numbers ofR44(14) andR44(26) rings, and a combination of C—H...π(arene) hydrogen bonds and three-centre O—H...(N,O) hydrogen bonds links the molecules of compound (II) into a three-dimensional framework structure. Comparisons are made with some related compounds.

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46

Abouzeid, Fatma M., and Sultanah Alshammery. "Copper Electropolishing in Phosphoric Acid under Normal and Forced Convection Conditions in Presence of Some Pharmaceutical Drugs." Asian Journal of Chemistry 32, no. 4 (February 25, 2020): 912–22. http://dx.doi.org/10.14233/ajchem.2020.22501.

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Some pharmaceutical drugs namely valsartan, hydrocholorothiazide, erythromycin thiocynate and diclofenac potassium were studied as chemical additions for enhancing the finished copper surface attained. Anode potential-limiting current relationship was measured and comparing of gradually increasing pharmaceutical compound concentrations (from 1 × 10-4 to 7 × 10-4 M). Copper dissolution behaviour in presence of pharmaceutical compounds was studied under natural convection [rotating cylinder (RCE) and rotating disc electrode (RDE)] as forced convection. The limiting current was found to diminish with enlarging additives concentration and increase with increasing temperature (293-313 K). Activation energies values confirm that reaction rate was diffusion controlled. The results showed that the improvement produced in electropolishing in presence of pharmaceutical compounds occurs through adsorption of their molecules above metal surface. All the pharmaceutical compounds adsorption process obey kinetic-thermodynamic model. The data under different conditions were controlled by dimensionless correlations viz. Sherwood, Schmidt and Reynolds numbers. Surface morphology also confirmed that an addition of pharmaceutical compound to copper dissolution bath enhance surface appearance and its texture quality to great extent.

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47

Hu, Yanmei, Stephanie O. Palmer, Sara T. Robles, Tahyra Resto, Frank B. Dean, and James M. Bullard. "Identification of Chemical Compounds That Inhibit the Function of Histidyl-tRNA Synthetase from Pseudomonas aeruginosa." SLAS DISCOVERY: Advancing the Science of Drug Discovery 23, no. 1 (July 26, 2017): 65–75. http://dx.doi.org/10.1177/2472555217722016.

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Pseudomonas aeruginosa histidyl-tRNA synthetase (HisRS) was selected as a target for antibiotic drug development. The HisRS protein was overexpressed in Escherichia coli and kinetically evaluated. The KM values for interaction of HisRS with its three substrates, histidine, ATP, and tRNAHis, were 37.6, 298.5, and 1.5 μM, while the turnover numbers were 8.32, 16.8, and 0.57 s–1, respectively. A robust screening assay was developed, and 800 natural products and 890 synthetic compounds were screened for inhibition of activity. Fifteen compounds with inhibitory activity were identified, and the minimum inhibitory concentration (MIC) was determined for each against a panel of nine pathogenic bacteria. Each compound exhibited broad-spectrum activity. Based on structural similarity and MIC results, four compounds, BT02C02, BT02D04, BT08E04, and BT09C11, were selected for additional analysis. These compounds inhibited the activity of HisRS with IC50 values of 4.4, 9.7, 14.1, and 11.3 µM, respectively. Time-kill studies indicated a bacteriostatic mode of inhibition for each compound. BT02D04 and BT08E04 were noncompetitive with both histidine and ATP, BT02C02 was competitive with histidine but noncompetitive with ATP, and BT09C11 was uncompetitive with histidine and noncompetitive with ATP. These compounds were not observed to be toxic to human cell cultures.

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48

Gao, Guanqun, Lulu Dai, Jing Gao, Jiaxing Wang, and Hui Chen. "Electroantennogram, behavioural responses, and field trapping of Trypophloeus klimeschi (Coleoptera: Curculionidae: Scolytinae) to eight host volatiles." Canadian Entomologist 151, no. 02 (February 12, 2019): 236–50. http://dx.doi.org/10.4039/tce.2018.64.

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AbstractTrypophloeus klimeschiEggers (Coleoptera: Curculionidae: Scolytinae) was first discovered in China in 2003, and it exhibits strong species specificity toPopulus albavar.pyramidalisBunge (Salicaceae). To screen plant volatile compounds for monitoring and trappingT. klimeschi, the electroantennogram responses of adultT. klimeschito eight plant volatiles, including nonanal, 2-methylbutanal, decanal, 2-hydroxybenzaldehyde, (Z)-3-hexen-1-ol benzoate, methyl benzoate, methyl salicylate, and geraniol were tested at various concentrations. Behavioural responses of female and male adults to various concentrations of these eight plant volatiles were also determined using a Y-tube olfactometer. We then tested the effectiveness of these compounds as lures for trappingT. klimeschiin the field. Electroantennogram tests showed thatT. klimeschipossesses olfactory sensitivity for eight compounds. Additionally, walkingT. klimeschiexhibited attraction to low concentrations (≤ 1 μg/μL) of all eight compounds in Y-tube olfactometer. Field experiment results indicated that baits composed of each volatile compound alone were more attractive to greater numbers ofT.klimeschithan the control. The methyl benzoate bait was better attracted byT.klimeschithan other tested volatiles. These results suggest that these compounds could be used in attraction of this stem-boring pest. This study could have important implications for the development of an effective semiochemical-based management tool forT. klimeschiin the field.

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Rönn, Roger Emanuel, Roksana Moraghebi, Carolina Guibentif, and Niels-Bjarne Woods. "Enhanced Generation of Human Hematopoietic Stem/Progenitor Cells From ES and Patient Derived IPS Cells Using a Novel Compound Screen." Blood 118, no. 21 (November 18, 2011): 1294. http://dx.doi.org/10.1182/blood.v118.21.1294.1294.

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Abstract Abstract 1294 The ability to generate hematopoietic stem and progenitor cells from patient derived induced pluripotent stem (iPS) cells, would enable the generation of an unlimited supply of HLA matched transplantable cells for the treatment of both hematological disorders and malignancies. The goal of this project is to identify novel pathways involved in hematopoietic stem and progenitor cell generation and expansion from human ES and iPS cells. By using a small molecule compound library with our optimized iPS-2-blood lineage differentiation protocol, we have identified two novel chemical compounds that specifically enhance the generation of phenotypic adult hematopoietic stem cells. Compound A and compound B both enable increases of CD45/43+CD34+CD38-CD90+CD45RA- cells by 183+/−53%, n=5 and 275%, n=1, respectively. This is in comparison to DMSO carrier control wells, where the percentage of blood cells (CD45/43+) produced per total cells for these experiments was 73+/−2.9%, n=5. The increase in hematopoietic cell output using compound A was highly significant for the adult phenotypical hematopoietic stem cell fraction with a P-value of 0.03, n=5 (see Figure). Hematopoietic progenitor, CD45/43+ CD34+, counts were also slightly increased for compound A and B at 129+/−32%, n=5 and at 211%, n=1, respectively. Interestingly, no statistically significant increase in the number of total blood CD45/43+ cells was detected at the time of harvest, with either compound; at 108% +/− 8.4%, n=5, for compound A, and 164%, n=1, for compound B. In addition to the improvements, as measured by FACS, compounds A and B both increased the numbers of clonogenic progenitors as measured by CFU-assay, allowing for a 241+/−67%, n=4, and 443%, n=1, increase in total hematopoietic colony counts, respectively. These results identify 2 novel compounds with the ability to expand the more primitive fractions of hematopoietic cells with preferential expansion of the most primitive fraction of hematopoietic cells derived from human ES and iPS lines. We are currently performing transplantation experiments with cells generated using these compounds to assess their repopulating potential. Further studies are being performed to investigate the molecular mechanisms of these compounds for hematopoietic stem and progenitor cell generation from ES and iPS cells. Disclosures: No relevant conflicts of interest to declare.

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50

Joyce, M. Gordon, Sergei Radaev, and Peter D. Sun. "A rational approach to heavy-atom derivative screening." Acta Crystallographica Section D Biological Crystallography 66, no. 4 (March 24, 2010): 358–65. http://dx.doi.org/10.1107/s0907444909053074.

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Despite the development in recent times of a range of techniques for phasing macromolecules, the conventional heavy-atom derivatization method still plays a significant role in protein structure determination. However, this method has become less popular in modern high-throughput oriented crystallography, mostly owing to its trial-and-error nature, which often results in lengthy empirical searches requiring large numbers of well diffracting crystals. In addition, the phasing power of heavy-atom derivatives is often compromised by lack of isomorphism or even loss of diffraction. In order to overcome the difficulties associated with the `classical' heavy-atom derivatization procedure, an attempt has been made to develop a rational crystal-free heavy-atom derivative-screening method and a quick-soak derivatization procedure which allows heavy-atom compound identification. The method includes three basic steps: (i) the selection of likely reactive compounds for a given protein and specific crystallization conditions based on pre-defined heavy-atom compound reactivity profiles, (ii) screening of the chosen heavy-atom compounds for their ability to form protein adducts using mass spectrometry and (iii) derivatization of crystals with selected heavy-metal compounds using the quick-soak method to maximize diffraction quality and minimize non-isomorphism. Overall, this system streamlines the process of heavy-atom compound identification and minimizes the problem of non-isomorphism in phasing.

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Journal articles on the topic 'Compound numbers'

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