143,209 research outputs found
Síntesis de derivados indólicos y estudio de los índices locales de reactividad Fukui
No full textEn este trabajo se buscó correlacionar los resultados experimentales con un soporte teórico a través de la realización de cálculos computacionales, específicamente, la síntesis de compuestos derivados del indol con el estudio de los índices locales de reactividad Fukui para predecir los sitios más reactivos y la influencia de diferentes sustituyentes sobre dicha reactividad. Además, se realizó el análisis de las propiedades termodinámicas, se calcularon los estados de transición involucrados y las distancias de enlace que apoyan el mecanismo propuesto para la formación del compuesto inesperado 16. Los compuestos sintetizados, cetonas aromáticas alpha,beta-insaturadas 15a-b, conocidas comúnmente como chalconas se obtuvieron por medio de la condensación de Claisen-Schmidt a partir del indol-3-carboxaldehído y cetonas aromáticas p-sustituidas. Un tercer compuesto 16, generado de forma imprevista se explica como resultado de una posterior electrociclación de la chalcona indólica esperada 15c. Las mejores condiciones de reacción encontradas para llevar a cabo la condensación de Claisen-Schmidt involucraron un medio básico, reflujo a temperatura aproximada de 75ºC, agitación magnética constante y tiempo promedio de reacción de 14 horas. La separación y purificación se efectúo a través de cromatografía preparativa para los productos 15a-b y por medio de una columna cromatográfica para el compuesto 16. La caracterización espectroscópica de los compuestos 15a-b y 16 fue alcanzada a través de técnicas como la resonancia magnética nuclear (1H- y 13C-RMN) y cromatografía de gases acoplada a masas. Con respecto al estudio teórico, los cálculos se realizaron al nivel de teoría semiempírico AM1 utilizando el paquete computacional Spartan-Pro para el análisis conformacional de reactivos, estados de transición y productos. Para sus posteriores optimizaciones se empleó el programa Gaussian 98 al nivel de teoría B3LYP/6-31G(d). Para el cálculo de los índices locales de reactividad Fukui, se implementó el software diseñado por el Doctor Eduardo Chamorro Jiménez, integrante del Grupo de Fisicoquímica Molecular de la Universidad Andrés Bello, Santiago de Chile, logrando identificar los sitios más reactivos susceptibles de adiciones nucleofílicas y electrofílicas en los productos 15a-b y 15c (producto intermedio en la formación del producto obtenido 16). / Abstract. In this work it's sought to correlate the experimental results with theoretical support by carrying out computer calculations, specifically, the synthesis of derivative compounds from indole with the study of local reactivity Fukui index to predict the most reactive centers and the influence of different substituents on the reactivity. Furthermore, the thermodynamic properties, the transition states envolved and the bond distances that support the proposed mechanism for the formation of the unexpected compound 16 were calculated and analyzed. The synthesized compounds, unsaturated-alpha,beta aromatic ketones 15a-b, commonly known as chalcones were obtained through the Claisen-Schmidt condensation from indole-3-carboxaldehyde and p-substituted aromatic ketones. 16 A third compound, unexpectedly generated is explained as a result of a subsequent electrocyclation of the provided indolic chalcone 15c. The best reaction conditions found to carry out the Claisen-Schmidt condensation involved a basic medium, reflux near to 75°c, constantly magnetic stirring and an average reaction time of 14 hours. Separation and purification were reached using preparative chromatography for the products 15a-b and through a chromatographic column for the compound 16. The spectroscopic characterization of compounds 15a-b and 16 was achieved through techniques such as nuclear magnetic resonance (1H-and 13C-NMR) and gas chromatography coupled to mass. With regard to the theoretical study, calculations were performed at the semiempiric level of theory AM1 using Spartan-Pro computational package for the conformational analysis of reactants, transition states and products. For subsequent optimizations it was used the Gaussian 98 program at the level of theory B3LYP/6-31G (d). For the calculation of the local reactivity Fukui index was implemented a software designed by Dr. Eduardo Chamorro Jimenez, member of the Group of Molecular Physical Chemistry, University Andres Bello, Santiago, Chile, it was achieved to identify the most reactive sites likely of nucleophilic and electrophilic additions in products 15a-b and 15c (an intermediate in the formation of the product 16).Maestrí
Invariants for bi-Lipschitz equivalence of ideals
No full text[EN] We introduce the notion of bi-Lipschitz equivalence of ideals and derive numerical invariants for such equivalence. In particular, we show that the log canonical threshold of ideals is a bi-Lipschitz invariant. We apply our method to several deformations ft:,0,0 (. n). (.) and show that they are not bi-Lipschitz trivial, specially focusing on several known examples of non-m*-constant deformations.The first author was partially supported by DGICYT Grant MTM2015-64013-P.Bivià-Ausina, C.; Fukui, T. (2017). Invariants for bi-Lipschitz equivalence of ideals. The Quarterly Journal of Mathematics. 68(3):791-815. https://doi.org/10.1093/qmath/hax002S79181568
Symmetry conservation in fukui functions
No full textThe problem of symmetry breaking in the evaluation of Fukui functions is addressed. It is also demonstrated that a reliable solution of the problem can be achieved using analytic methods. An automatic method that avoids occurrence of symmetry breaks has been implemented in a computer code and is described here. Negative regions of the Fukui function are shown to play a key role for the interpretation of reactivity. Example plots are presented for diatomic molecules, inorganic molecules, conjugated systems, and molecular cages. The potentiality of the Fukui functions as molecular scalar fields for prediction and analysis of regioselectivity is enhanced. Its advantages with respect to the use of condensed Fukui functions are discussed. Copyright � 2010 American Chemical Society
Hysteresis in Gyrotrons
No full textWe present a general theory of hysteresis in gyrotrons. The theory is illustrated by numerical examples referring to two specific gyrotrons: the FZK TE31,17 coaxial gyrotron and the Fukui FU JV gyrotron operating in the TE0,3 mode. Corresponding experimental observations are described.conference pape
Structure of Fukui matrices
No full textFukui matrices considered as the generalization of the concept of Fukui densities are decomposed into their pairing and unpairing contributions within the theory of the reduced density matrices. Their algebraic structure become clear from this decomposition providing their relationships with the spin density matrices and the irreducible part of the second-order reduced density matrix cumulant, that is, the explicit contributions of the many-body or correlation effects. The uncorrelated state function approximation is a simple way to emphasize the physical meaning of these matrices and represents the appropriate starting point for the treatment of a quasi-analytical model to denote the occurrence of correlation effects.Fil: Bochicchio, Roberto Carlos. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentin
Novaculops compressus Fukui 2020, n. sp.
No full textNovaculops compressus n. sp. New English name: Garnet Sandy; new standard Japanese name: Hokage-tensu-modoki Figures 1–4; Table 1 Novaculops sciistius (not of Jordan and Thompson): Katayama 2014: 424, unnumbered fig. (Yoron Island, Kagoshima, Japan); Fukui 2018: 278, unnumbered fig. (Yoron Island, Kagoshima, Japan). Novaculops sp.: Fukui 2017: 185, unnumbered fig. (Panay Island, Philippines). Holotype. KAUM–I. 52621, 104.2 mm SL, off Iloilo, Panay Island, Philippines, 10°41ʹN, 122°35ʹE, purchased at Iloilo Central Market, H. Motomura, U. B. Alama, T. Yoshida & H. Nishiyama, 15 Feb. 2013. Paratype. FRLM 42872, 97.4 mm SL, Tomori, Yoron, Yoron-jima island, Amami Islands, Kagoshima, Japan, 27°01ʹ42ʺ– 27°01ʹ58ʺN, 128°23ʹ55ʺ– 128°24ʹ36ʺE, 90–105 m, line fishing, Y. Hibino, 25 Oct. 2012. Diagnosis. A species of Novaculops with the following combination of characters: pectoral-fin rays 13; pored lateral-line scales 20 + 5; scale rows above lateral line 4; scale rows below lateral line 9; total gill rakers 16; snout length 11.1% of SL; orbit diameter 10.0–10.1 % of SL; body depth 30.9% of SL; anal-fin base length 36.2–37.6 % of SL; first dorsal-fin spine length 6.4–7.0 % of SL, pectoral fin axil black, first two dorsal-fin membranes black. Description. Data for the holotype are presented first, followed by paratype data in parentheses when different. Counts and measurements are given in Table 1. Body oblong, moderately compressed posteriorly. Body depth at pelvic-fin origin subequal to depth at anal-fin origin. Caudal peduncle moderately short, depth greater than length. Head moderately large. Dorsal profile of snout moderately rounded. Fleshy anterior edge of head slightly pointed, compressed. Snout long. Orbit large. Pupil diameter subequal to half orbit diameter. Interorbital space convex. Single large sheath of scales on anterodorsal margin of orbit. Cheek region naked. Mouth small, slightly obliquely angled backwards, ca. 15° to horizontal axis of head and body. Lips thick, inwardly curled dorsally, progressively more curled posteriorly. Jaw teeth affixed to outer edge of bony ridge. Two pairs of strongly curved canine teeth at front of each jaw; 11 small thickened teeth posteriorly on each bony plate behind upper-jaw canine teeth; 11 (12) small thickened teeth (length one-third of canine teeth) posteriorly on each bony plate behind lower-jaw canine teeth; numerous small teeth rows follow outer dentition ridge. Tongue short, slender, rounded, upper surface covered with small papillae. Gill opening wide. Gill rakers thickened, short, longest on first arch about one-half length of longest gill filament. Preopercular margin smooth, extending beyond vertical through ventral margin of orbit. Anterior nostril a tiny aperture; posterior nostril short, slightly oblique. Suborbital sensory canal with 3 short branches, each ending with a single pore. ......continued on the next page Novaculops compressus n. sp. N. sciistius N. woodi N. woodi Novaculichthys N. tattooHolotypeParatypeNon-typesHolotypeParatypeNon-types entargyreus Holotype HolotypeKAUM–I.FRLM n = 25 CAS SUCAS SU n = 8 CAS SU 5984BPBM 6215262142872602969835Orbit diameter10.110.0 10.1 6.9–9.3 7.97.96.16.56.6–8.27.66.77.2Interorbital width4.84.8 4.8 3.9–6.3 5.26.36.74.5–5.17.34.85.3Postorbital length16.616.8 16.7 14.6–18.0 16.6——14.4–17.1—15.714.2Pre-pelvic-fin length31.131.3 31.2 28.8–35.4 32.0——29.7–32.9—34.828.91st dorsal-fin spine length6.47.0 6.7 6.3–15.6 9.87.17.07.6–8.77.57.07.79th dorsal-fin spine length6.76.5 6.6 6.4–10.5 8.07.08.07.8–9.88.47.38.21st dorsal-fin soft ray length9.011.1 10.1 9.6–14.4 11.811.711.610.7–13.79.711.211.712th dorsal-fin soft ray length8.38.9 8.6 7.5–11.5 10.08.69.19.7–11.47.69.39.71st anal-fin spine length1.92.1 2.0 1.5–3.6 2.31.91.82.2–3.23.12.92.71st anal-fin soft ray length10.611.9 11.3 10.3–14.8 12.4——11.2–13.2—10.710.712th anal-fin soft ray length8.87.9 8.4 7.5–11.4 9.56.87.28.1–11.47.18.08.5Pectoral-fin length19.821.8 20.8 20.1–24.2 22.118.119.317.8–23.419.221.521.0Pelvic spine length4.86.3 5.5 6.2–9.7 7.45.85.35.9–8.95.56.57.11st pelvic-fin soft ray length15.720.6 18.1 16.4–26.7 21.626.726.518.5–26.221.620.422.6LD AVM of orbit and maxilla3.53.8 3.7 1.1–6.6 4.5——1.7–5.4—6.53.7LD AVM of orbit and preopercle10.19.4 9.8 3.9–12.2 9.2——7.1–11.0—10.48.1LD AVM of orbit and interopercle12.912.8 12.8 5.7–15.5 12.1——9.5–13.7—13.510.9Pectoral-fin base5.85.4 5.6 5.6–7.3 6.2——5.9–6.4—5.55.4LD dorsal-fin origin and anal-fin origin43.243.7 43.5 43.6–49.2 46.2——43.5–48.7—45.741.4LD dorsal-fin origin and posterior70.372.8 71.6 67.3–80.1 76.2——72.2–77.2—72.066.3margin of AB LD posterior margin of DB and anal-fin41.343.2 42.2 44.1–51.8 46.5——43.2–48.7—42.041.0origin LD pectoral-fin origin and pelvic-fin24.223.8 24.0 17.9–26.5 22.3——18.8–26.6—22.220.1origin LD a and b Least distance between a and b, AVM anteroventral margin, DB dorsal-fin base, AB anal-fin base Body, including caudal peduncle, covered with cycloid scales. Scale diameter at mid-body nearly equal to eye diameter; axillary scale length half that of mid-body scales. Pectoral-fin base with 5 cycloid scale rows. Caudal-fin base with 4.5 scale rows. Scales above lateral-line scales 4; scales below lateral-line scales 9. Lateral line interrupted; pored lateral-line scales 20 + 5, with single tube; anterior series following dorsal contour of body; posterior series running mid-laterally on posterior region of body; 2 scale rows between last pored-scale of anterior series and first pored-scale of posterior series; 3 scale rows below first pored-scale of posterior series. Origin of first dorsal-fin spine posterior to vertical through posterior margin of orbit; distance between vertical through posterior margin of orbit and dorsal-fin origin greater than orbit diameter. Dorsal spinous portion lower than soft rayed portion; first spine thin, fleshy, flexible; first dorsal-fin spine longer than second spine. Second dorsal-fin spine inflexible (tip flexible in <100 mm SL). Length between first- and second dorsal-fin spine bases less than that between second- and third dorsal-fin spine bases. Origin of anal-fin spine slightly posterior to vertical through last dorsal-fin spine base; end of anal-fin base slightly beyond vertical through 12th dorsal-fin soft ray base. All dorsal- and anal-fin soft rays branched. Pectoral fin long, rounded, posterior margin just reaching to vertical through last dorsal-fin spine base, first and second pectoral-fin soft rays unbranched, remainder branched. Pelvic fin long; posterior margin of first soft ray beyond anus; all soft rays branched. Color of holotype when fresh, based on color photograph (Fig. 1A). Body yellow, dorsal region bright orange, ventral region white; mid-body bright orange. Posterior margin of dorsal scales edged bright red. Dorsal-fin spinous portion bright yellow, membrane between first- and second dorsal-fin spines black; dorsal-fin soft rayed portion white basally, yellow distally. Anal fin white basally, yellow distally. Pectoral fin bright orange. Pelvic fin translucent. Caudal fin bright yellow. Orbit pale red, posterodorsal margin of orbit black. Pupil black. Lips bright orange. Coloration of paratype when fresh, based on color photograph (Fig. 1B). Body pink dorsally, white ventrally; mid-body bright yellow. Posterior margin of dorsal scales edged bright red. Dorsal-fin spinous portion bright pink, soft rayed portion translucent. Anal fin white basally, translucent distally. Pectoral fin bright orange. Pelvic fin translucent. Caudal fin pale pink basally, translucent distally. Orbit pale red, with black posterodorsal margin. Pupil black. Lips pale pink. Coloration of preserved specimens (Fig. 2). Body brown. Posterodorsal margin of orbit black. First two dorsalfin membranes black (holotype). Axil of pectoral fin black. All fins translucent. Distribution. Currently known only from Yoron Island, Kagoshima, Japan and Panay Island, the Philippines (Fig. 3). Etymology. The specific name for the new species is from the Latin “compressa” meaning “compressed”, referring to the compressed body.Published as part of Fukui, Yoshino, 2020, A new wrasse, Novaculops compressus n. sp. (Perciformes: Labridae), from the western Pacific Ocean, pp. 555-564 in Zootaxa 4742 (3) on pages 556-561, DOI: 10.11646/zootaxa.4742.3.9, http://zenodo.org/record/367804
Mixed Łojasiewicz exponents and log canonical thresholds of ideals
No full textWe study the Lojasiewicz exponent and the log canonical threshold of ideals of O-n when restricted to generic subspaces of C-n of different dimensions. We obtain effective formulas of the resulting numbers for ideals with monomial integral closure. An inequality relating these numbers is also proven.The authors thank S. Ishii and T. Krasinski for helpful comments. Part of this work was developed during the stay of the first author at the Max Planck Institute for Mathematics (Bonn, Germany) in April 2011 and the Department of Mathematics of Saitama University (Japan) in March 2012. The first author wishes to thank these institutions for hospitality and financial support.Bivià-Ausina, C.; Fukui, T. (2016). Mixed Lojasiewicz exponents and log canonical thresholds of ideals. Journal of Pure and Applied Algebra. 220(1):223-245. doi:10.1016/j.jpaa.2015.06.007S223245220
Effect of human leukemia inhibitory factor on in vitro development of IVF-derived bovine morulae and blastocysts
No full textThis study was conducted to investigate whether human leukemia inhibitory factor (hLIF) improves the subsequent development of IVF-derived bovine morulae and blastocysts. To obtain IVF-derived bovine morulae, ova were matured and fertilized in vitro and cultured in 0.5 ml of synthetic oviduct fluid (SOF) medium supplemented with 10% human serum (HS) for 5 d at 39 °C under a gas atmosphere of 5% CO2, 5% O2, 90% N2. Morulae and early blastocysts at Day 5 of culture were cultured in 0.5 ml of SOF medium with or without 5000 U/ml recombinant hLIF for 2 or 3 d (2 groups). To investigate the effect of addition of hLIF on the subsequent development of morulae, SOF medium was supplemented with 8 mg/ml BSA instead of HS. To test whether hLIF affects the subsequent development of IVF-derived bovine blastocysts, only good blastocysts that developed from SOF medium with or without hLIF at Days 7 and 8 of culture were frozen by a conventinal slow freezing method and again cultured in SOF medium with or without the addition of hLIF for 3 d after thawing (4 groups). Survival of frozen-thawed bovine embryos was evaluated for re-expansion and hatching of blastocysts during 3 d of culture. There was no significant difference in the developmental rate of Day 5 embryos to blastocysts between those cultured with (47.8%) and without (47.6%) addition of hLIF. However, the addition of hLIF before freezing significantly increased the hatching rate of IVF-derived bovine morulae (P < 0.05), whereas addition of hLIF after thawing did not increase the subsequent development of blastocysts. These results suggest that hLIF added at the Day 5 morula stage may contribute to bovine embryonic development through the hatching process.open
Ram-specific effects on in-vitro fertilization and cleavage of sheep oocytes matured in vitro
No full textThe present experiments were designed to identify possible male-specific effects on early embryonic development in vitro. Sheep oocytes were matured in vitro for 24-26 h and then fertilized in vitro using equal numbers of viable spermatozoa from 1 of 6 Clun Forest rams. At 15-18 h after insemination, oocytes were either fixed and examined for fertilization and polyspermy or further cultured in modified M 199 medium for 3 days in an oviduct epithelial co-culture system. There were significant differences in 5 separate trials between the rams with respect to the rate of fertilization, degree of polyspermy and cleavage rate after monospermic fertilization. The mean rate of fertilization varied from 89% in Ram B to 43% in Ram C while the percentage of polyspermic eggs varied from 5 to 34%. Both the absolute number of embryos cleaving to the 16-cell stage and the calculated percentage of monospermic eggs reaching the 16-cell stage differed markedly between groups of eggs fertilized by different rams. The results indicate that the development of sheep eggs in vitro is differentially affected by the ram from which the spermatozoa are collected
In vitro culture of sheep oocytes matured and fertilized in vitro
No full textSheep oocytes that matured and fertilized in vitro were cultured to evaluate their cleavage to the 8- to 16- cell stage and further development in five different media as follows: 1) CPMW (TCM199 + 20% ewe serum + 0.4% BSA), 2) Ham's F-10 + 10% ewe serum, 3) Brinster's pyruvate medium + 0.1% glucose (BPM-G), 4) co-culture with sheep oviduct epithelial cells in TCM199 + 10% fetal calf serum, and 5) co-culture with sheep granulosa cells in the same medium as 4. The culture duration was 4 or 7 d for 8- to 16-cell or further development. The proportions of 8- to 16-cell eggs were 1) 16% ( 8 49), 2) 25% ( 12 49), 3) 52% ( 58 112), 4) 63% ( 105 167) and 5) 45% ( 27 60). The co-culture with sheep oviduct cells resulted in a significantly (P < 0.05) higher rate of cleavage than the other media, except BPM-G. The proportion of noncompacted morula (35%, 24 68) was also significantly (P < 0.05) higher in the co-culture of sheep oviduct cells than the other media. The 8- to 16-cell eggs produced by BPM-G (n=38) and the co-culture with sheep oviduct cells (n=42) were transferred into the uterus of recipient ewes, but no elongated blastocysts were obtained 13 d later. On the other hand, 8 out of 55 one-cell eggs (15 to 18 h after in vitro insemination) transferred to the oviduct of recipient ewes were elongated blastocysts (24% of 34 recovered eggs). The data show that the co-culture of in vitro fertilized eggs with sheep oviduct epithelial cells could support development of 8- to 16-cell embryos or early morula, but their viability is still questionable
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