Готові списки джерел за темами / Spherical top molecule

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Добірка наукової літератури з теми "Spherical top molecule"

Автор: Grafiati

Опубліковано: 22 лютого 2025

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Статті в журналах з теми "Spherical top molecule"

Rotger, M., V. Boudon, M. Loëte, N. Zvereva-Loëte, L. Margulès, J. Demaison, I. Merke, F. Hegelund, and H. Bürger. "The bending triad of the quasi-spherical top molecule SO2F2 in the 550cm−1 region." Journal of Molecular Spectroscopy 238, no. 2 (August 2006): 145–57. http://dx.doi.org/10.1016/j.jms.2006.04.014.

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Inostroza, Natalia, Ricardo Letelier, and María Luisa Senent. "On the variational solution of the coupled breathing rotation-vibration of a spherical top molecule." Journal of Mathematical Chemistry 45, no. 4 (June 13, 2008): 1055–59. http://dx.doi.org/10.1007/s10910-008-9392-5.

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Chang, Johnny, and Robert E. Wyatt. "Artificial intelligence techniques in the study of multiphoton dynamics: Application to a general vibrating-rotating spherical top molecule." Chemical Physics Letters 121, no. 4-5 (November 1985): 307–14. http://dx.doi.org/10.1016/0009-2614(85)87184-0.

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Paka, I., D. A. Roth, M. Heppa, G. Winnewisser, D. Scouterisc, B. J. Howard та K. M. T. Yamadad. "High resolution spectroscopy of Ar-CH4 and Kr-CH4 in the 7 μ region (j = 1 ← 0 transition)". Zeitschrift für Naturforschung A 53, № 8 (1 серпня 1998): 725–32. http://dx.doi.org/10.1515/zna-1998-0814.

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Abstract Diode laser spectra of the rare gas - spherical top van der Waals complexes Ar-CH4 and Kr-CH4 were measured in the wavelength region near 1310 cm-1 and assigned. The most prominent lines of both complexes exhibit three dense but well resolved RP0, QR0, and RQ0 branches, correlated to the R(0) transition of the triply degenerate bending vibration v4 of methane, CH4. A model Hamiltonian based on Coriolis coupled states was applied for the assignment, analysis and fitting of the spectra to within the experimental accuracy of ≈ 15 MHz. The rotational B constants of the upper and lower states determined from the three allowed branches appeared to be strongly correlated. The precision in the determination of the rotational B constants of the two complexes was substantially increased by additional recording of several weak transitions in the nearly forbidden QP0 and RR0 branches, which were fitted together with the allowed transitions. The separation between the rare gas atom and the methane molecule in the ground vibrational state was determined to be 3.999 Å and 4.094 Å for Ar-CH4 and Kr-CH4, respectively. The measured small values of the splitting between the K=0 and the K = ±1 levels in the vibrationally excited state (0.39 cm-1 and 0.67 cm-1 for Ar-CH4 and Kr-CH4, respectively), which characterizes the anisotropy of the intermolecular potential, indicated that Kr-CH4 and Ar-CH4 together with Ne-SiH4 represent examples close to the free rotor limit, where the spherical top CH4 is almost free to rotate within the complex. In comparison, the previously analyzed Ar-SiH4 van der Waals molecule is closer to the hindered rotor limit.

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Brot, Claude. "Liquides de toupies symétriques: leur tenseur de polarisabilité optique intrinsèque via deux expériences sous champ statique: CH3CN." Canadian Journal of Chemistry 68, no. 9 (September 1, 1990): 1490–93. http://dx.doi.org/10.1139/v90-228.

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NMR line splitting under a strong static electric field (EF-NMR) allows one to measure the average alignment (second spherical harmonic) of the molecule studied under the influence of the field. This average alignment (per unit squared field) can be formulated theoretically by an expression involving the permanent dipole moment, the anisotropy of the static polarizability, etc. and possibly orientational intercorrelations within the liquid. On the other hand the Kerr constant per molecule can be represented by the same expression, multiplified by a factor that is independent of any static electrical property of the molecule (for a gas this factor would be simply proportional to the anisotropy of the optical polarizability). Consequently the ratio of the above experimental results contains information bearing only on the optical properties. The formalism of the "tensor of polarizability increment" developed by the author for liquids made up of ellipsoidal molecules is employed. It is shown that by combining the above ratio with the constitutive equation for the refractivity of the liquid, the two distinct principal elements of the tensor of polarizability increment of the symmetric top molecules constituting the liquid are immediately obtained. Using then the molecular volume, a van der Waals estimate for the elongation of the molecule, and the index of refraction of the liquid, one can calculate the elements of the optical polarizability tensor invacuo. The method is illustrated by neat acetonitrile for which the necessary experimental data exist in the literature. One finds, in units 1040 C2 m2 J−1 5.06 for the mean polarizability and 2.52 for its anisotropy. A published experimental study using depolarized light scattering in the gas phase indicates that the corresponding figures are 4.96 and 2.49 respectively at λ = 633 nm. Finally and accessorily, it is suggested that dipolar intercorrelations are weak in acetonitrile. Indeed, using an analogous formalism for the static permittivity of the liquid, a value for the permanent moment of the molecule is deduced. This value is within 1% of the experimental gas value. Keywords: polarizability tensors, liquids, Kerr constant, NMR.

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Kuyliev, B. T., N. D. Orlova, L. A. Pozdnyakova, L. O. Meyliev, M. A. Rahmonova, and Zh N. Huzhamberdieva. "Vibrational-Rotational Interaction in Molecules of the Spherical Top Type." Ukrainian Journal of Physics 59, no. 3 (March 2014): 222–25. http://dx.doi.org/10.15407/ujpe59.03.0222.

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BUNKER, P. R., and PER JENSEN. "Spherical top molecules and the molecular symmetry group." Molecular Physics 97, no. 1-2 (July 20, 1999): 255–64. http://dx.doi.org/10.1080/00268979909482827.

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JENSEN, P. R. BUNKER, PER. "Spherical top molecules and the molecular symmetry group." Molecular Physics 97, no. 1 (July 10, 1999): 255–64. http://dx.doi.org/10.1080/002689799164090.

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McDowell, Robin S. "Rotational partition functions for spherical-top molecules." Journal of Quantitative Spectroscopy and Radiative Transfer 38, no. 5 (November 1987): 337–46. http://dx.doi.org/10.1016/0022-4073(87)90028-8.

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Najafi, Mohsen. "Prediction of Thermophysical Properties of Spherical Top Molecules." Russian Journal of Physical Chemistry A 96, no. 8 (August 2022): 1658–66. http://dx.doi.org/10.1134/s0036024422080167.

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Більше джерел

Дисертації з теми "Spherical top molecule"

Merkulova, Mariia. "Study of centrifugal and resonance effects in the asymmetric and spherical top molecules : C2D4, ClO2, CD4, SiF4." Electronic Thesis or Diss., Bourgogne Franche-Comté, 2024. http://www.theses.fr/2024UBFCK078.

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Les travaux sont consacrés à l'obtention de nouvelles informations de haute précision par l'étude de spectres à haute résolution de molécules de type sphérique et asymétrique, ainsi qu'au développement de nouvelles méthodes et à l'amélioration des méthodes existantes pour l'analyse des spectres de molécules dans des états électroniques non singlés. L'étude des spectres rotationnels et vibrationnels-rotationnels des molécules polyatomiques en phase gazeuse est depuis longtemps d'une importance fondamentale pour déterminer la géométrie moléculaire exacte dans différents états vibrationnels, pour obtenir des informations sur le champ de force interne, les paramètres d'interaction vibrationnelle-rotationnelle, les moments dipolaires, pour calculer les fonctions thermodynamiques et, en général, pour obtenir des informations sur la relation entre la structure et les propriétés physiques de la molécule.Dans ce travail, l'analyse des positions des raies spectrales vibrationnelles-rotationnelles des bandes de combinaison des molécules SiF4, CD4, C2D4, ClO2 et de leurs isotopologues a été réalisée pour la première fois. Le problème spectroscopique inverse a été résolu pour les bandes étudiées. Les ensembles de paramètres spectroscopiques obtenus permettent de reproduire les valeurs des niveaux d'énergie excités avec une précision qui n'est pas inférieure à la précision expérimentale. En utilisant les paramètres spectroscopiques obtenus pour les bandes combinées de la molécule SiF4 et le progiciel XTDS, le calcul des positions des raies a été effectué pour la première fois et les spectres théoriques des bandes « chaudes » de cette molécule, jusqu'à la 14ème polyade, ont été calculés
The work is devoted to obtaining new high-precision information by studying high-resolution spectra of molecules of the spherical and asymmetric top type, as well as developing new and improving existing methods for analyzing the spectra of molecules in non-singlet electronic states.The study of rotational and vibrational-rotational spectra of polyatomic molecules in the gas phase has long been of fundamental importance for determining the exact molecular geometry in various vibrational states, for obtaining information on the internal force field, vibrational-rotational interaction parameters, dipole moments, calculating thermodynamic functions and, in general, for obtaining information on the relationship between the structure and physical properties of the molecule.In this work, the analysis of the positions of vibrational-rotational spectra lines of combination bands of the SiF4, CD4, C2D4, ClO2 molecules and their isotopologues was performed for the first time. The inverse spectroscopic problem was solved for the studied bands. The obtained sets of spectroscopic parameters allow reproducing the values of excited energy levels with an accuracy not worse than the experimental one. Using the obtained spectroscopic parameters of the combination bands of the SiF4 molecule and the XTDS software package, the calculation of the line positions was performed for the first time and theoretical spectra of the "hot" bands of this molecule, up to the 14th polyad, were calculated. In addition, new high-precision spectra of the ground state of the SiH4 molecule were obtained and analyzed, and the analysis of the spectral line intensities was performed to improve the data on the dipole moment parameters

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El-Sheikh, Salah Mohamed. "Perturber and temperature dependence of collision-induced light scattering for spherical top molecules." 1989. http://hdl.handle.net/1993/16869.

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Частини книг з теми "Spherical top molecule"

Kozlov, D. N., V. V. Smirnov, and S. Yu Volkov. "High-Resolution CARS-IR Spectroscopy of Spherical Top Molecules." In Springer Proceedings in Physics, 71–86. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-77194-1_7.

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"Collision Dynamics of Atom-Spherical Top Molecule Systems." In Rarefied Gas Dynamics: Experimental Techniques and Physical Systems, 155–63. Washington DC: American Institute of Aeronautics and Astronautics, 1994. http://dx.doi.org/10.2514/5.9781600866302.0155.0163.

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di Lauro, Carlo. "Spectra of Spherical Top Molecules." In Rotational Structure in Molecular Infrared Spectra, 223–41. Elsevier, 2020. http://dx.doi.org/10.1016/b978-0-12-821336-0.00010-9.

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di Lauro, Carlo. "Spectra of Spherical Top Molecules." In Rotational Structure in Molecular Infrared Spectra, 225–45. Elsevier, 2013. http://dx.doi.org/10.1016/b978-0-12-407771-3.00010-0.

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Bernath, Peter F. "Rotational Spectroscopy." In Spectra of Atoms and Molecules, 169–219. 5th ed. Oxford University PressNew York, 2025. https://doi.org/10.1093/oso/9780197754498.003.0006.

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Анотація:

Abstract This chapter starts with a discussion of classical rotation of rigid bodies and moments of inertia. Asymmetric, symmetric, and spherical tops are defined. Rotational energy levels of diatomic and linear molecules are derived, along with selection rules and spectra. Rotational energy levels of symmetric tops are derived including selection rules and spectra. Asymmetric tops are briefly discussed. The determination of molecular structure by rotational spectroscopy is discussed.

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Bernath, Peter F. "Vibrational Spectroscopy." In Spectra of Atoms and Molecules, 220–311. 5th ed. Oxford University PressNew York, 2025. https://doi.org/10.1093/oso/9780197754498.003.0007.

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Abstract The chapter begins with a presentation of harmonic and anharmonic oscillators, and the vibrational energy levels and wavefunctions for diatomic molecules. Selection rules and spectra are presented for vibration-rotation transitions of diatomic molecules. Classical and quantum mechanical vibrational motion of polyatomic molecules are presented. Internal, symmetry, and normal coordinates for vibrational motion are defined. Selection rules and vibration-rotation spectra of linear, symmetric top, spherical top, and asymmetric top molecules are presented. Line strengths for vibration-rotation transitions are defined. Fermi and Coriolis perturbations are discussed.

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Autschbach, Jochen. "Particle in a Cylinder, in a Sphere, and on a Helix." In Quantum Theory for Chemical Applications, 340–55. Oxford University Press, 2020. http://dx.doi.org/10.1093/oso/9780190920807.003.0018.

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The particle in a box from an earlier chapter is useful as a model to treat the electron motion in linear molecular ‘wires’, rectangular surfaces, and cuboid nano-particles. In this chapter, similar models are developed for spherical and cylindrical nano-particles, and helical nano-wires. Applications of these models that have been reported in the literature are discussed. For example, the particle in a cylinder model has been applied to treat the absorption spectra of silver nano-rods. The particle in a sphere model can be used tom rationalize the occurrence of sodium nano-clusters with certain ‘magic’ numbers of Na atoms. The model also explains the behaviour of potassium under high pressure, where the element starts to behave like a transition metal. The particle on a helix has been used to rationalize the optical activity of helical pi-conjugated molecules.

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"Plastic Crystals." In Polymer Structure Characterization: From Nano to Macro Organization in Small Molecules and Polymers, 132–45. 2nd ed. The Royal Society of Chemistry, 2013. http://dx.doi.org/10.1039/bk9781849734332-00132.

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Small spherical molecules are able to exhibit physical properties which reflect the ability to freely rotate in the ordered solid phase and are classed as plastic crystals. The property of achieving rotational freedom in the solid state can be observed in some polymer systems and is a precursor to understanding the dynamic of glassy polymers and the related commensurate–incommensurate phase transition in ordered solids.

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Lu, S. I. "Theoretical study of transition state structure and reaction enthalpy of the F + H2 -+ HF + H reaction by a diffusion quantum Monte Carlo approach." In Quantum Monte Carlo, 153. Oxford University PressNew York, NY, 2007. http://dx.doi.org/10.1093/oso/9780195310108.003.00157.

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Abstract As noted by the author the reaction F + H2 HF + H has played an important role in the development of theories of chemical dynamics. It has played a similarly important role in the development of accurate ab initio methods for treating the electronic structure of molecular systems, and this paper itself continues that development. After early excitements and disappointments in the 1970s and 1980s several types of quantum calculations in the 1990s were quite successful in predicting potential energy surfaces for this reaction which were entirely consistent with experimental observations. A most recent multi reference coupled cluster (MRCC) study by Kallay et al.a provided excellent agreement. The subject paper extends fixed-node QMC calculations to provide a similarly accurate surface also in excellent agreement, solidifying mankind’s understanding of this reaction. The key to Lu’s success is a multireference trial function of floating spherical Gaussian orbitals and spherical Gaussian orbitals (FSGO-SGG) suitably optimized to specify the nodes of the wavefunction. An earlier QMC calculationb with a single-determinant trial function produced a barrier height too high by 2 to 3 kcal/mo!. The value of 1.09(16) kcal/mo! obtained by Lu is in good agreement with the of 1.11 kcal/mo! from the MRCC calculation.

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Tchakalova, Vera. "Preferential Solubilization of Fragrances in Micelles with Different Geometric Shapes." In Design and Applications of Self-Assembly Aggregates - From Micelles to Nanoemulsions. IntechOpen, 2024. http://dx.doi.org/10.5772/intechopen.114289.

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Surfactant self-assembled aggregates, the main components of consumer products, offer a solution for the solubilization of fragrances, which is crucial to the consumer’s product choice. The interactions between surfactant aggregates and fragrances are complex: surfactants influence fragrance release and performance, whereas fragrances affect the macroscopic properties of the formulation by changing the aggregate’s shape and size. The present chapter describes studies on the solubilization of some fragrance ingredients in spherical and cylindrical micelles for a better understanding of their influence on micellar structure, viscosity, conductivity, and solubilization capacity. Turbidity, conductivity, and viscosity measurements were performed simultaneously in order to monitor the solubilization of fragrance molecules and the geometric transition of the surfactant aggregate.

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Тези доповідей конференцій з теми "Spherical top molecule"

Barnes, M. D., W. B. Whitten, J. M. Ramsey, and S. Arnold. "Photophysics of Surfactant Molecules in Microdroplets." In Laser Applications to Chemical and Environmental Analysis. Washington, D.C.: Optica Publishing Group, 1996. http://dx.doi.org/10.1364/lacea.1996.lwb.6.

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Over the last several years, the study of fluorescence properties in both time and frequency domain of atoms in micron-sized optical cavities has held considerable interest in the physics and quantum optics communities. In addition to fascinating purely scientific aspects of the phenomenon of cavity quantum electrodynamics (QED), the ability to modify molecular fluorescence properties in a microcavity offers potentially significant sensitivity advantages for ultrasensitive - or, single molecule - fluorescence detection. For example, two important quantities which limit sensitivity in single molecule fluorescence detection - the saturated absorption rate and the integrated fluorescence yield - can be significantly increased by enhancing the fluorescence decay rate. We have shown previously that fluorescence decay rates1 as well as the integrated fluorescence yield2 of rhodamine 6G can be significantly enhanced in glycerol microdroplets. However, exploitation of these effects in order to gain sensitivity in single molecule fluorescence detection is nontrivial for at least two important reasons. First, the magnitude of decay rate enhancement depends on the position of the molecule within the droplet; molecules near the center of the droplet are not coupled to high Q resonances while molecules near the surface may strongly interact with cavity resonances associated with droplet. Thus, diffusion limits the amount of time a given molecule may interact with the resonances thereby limiting the fluorescence decay rate. Second, the fluorescence decay rate depends on the orientation of the transition moment with respect to the cavity "axis"; e.g., the surface normal for spherical cavities.

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Herbers, Sven, Jens-Uwe Grabow, Peter Kraus, and Daniel Obenchain. "HAVING A BALL! MICROWAVE SPECTRUM OF THE (NEARLY) SPHERICAL TOP TEFLIC ACID." In 73rd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.fd01.

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Boudon, Vincent, Mbaye Faye, Laurent Manceron, and Olivier Pirali. "ON THE IMPORTANCE OF FAR-INFRARED SPECTROSCOPY FOR NON-POLAR SPHERICAL-TOP MOLECULES." In 73rd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.wc05.

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Fiol, Juan, Martín Zarco, Guillermo Rozas, Pablo Maceira, Alberto Lamagna, Pablo Knoblauch, Enrique Kaúl, et al. "CALCULATION OF ANHARMONICITIES IN OVERTONE MODES AND SMALL-CLUSTER SHIFTS OF SPHERICAL-TOP MOLECULES." In 69th International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2014. http://dx.doi.org/10.15278/isms.2014.mg13.

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Blokhin, A. P., and M. F. Gelin. "Orientational relaxation of spherical top molecules in gases and liquids: effect of collision intensity." In 12th Symposium and School on High Resolution Molecular Spectroscopy, edited by Leonid N. Sinitsa, Yurii N. Ponomarev, and Valery I. Perevalov. SPIE, 1997. http://dx.doi.org/10.1117/12.267784.

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Gabard, T., and J. P. Champion. "Calculation of multipolar transition moments of spherical top molecules for the modeling of collisional processes." In High Resolution Molecular Spectroscopy: 11th Symposium and School, edited by Alexander I. Nadezhdinskii, Yu V. Ponomarev, and Leonid N. Sinitsa. SPIE, 1994. http://dx.doi.org/10.1117/12.166228.

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Banerjee, Soumik. "Molecular Simulation of the Self-Agglomeration of Carbon Nanostructures in Various Chemical Environments." In ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-89697.

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Self-assembly of carbon nanostructures in solutions provides a cost-effective means to synthesize uniform vertically-aligned nanostructures with specific morphologies including shapes such as wires, sheets and spherical particles. In addition to facilitating the synthesis of bulk carbon nanomaterial, a complete understanding of the agglomeration mechanics also provides a means to deposit uniform layers of carbon nanostructures on top of substrates to produce molecularly-tailored composites with specific mechanical properties. Self-assembly is a complex dynamical process that involves the interaction between the nanoparticle precursors, the transport properties of the individual precursor molecules as well as the precursor-solvent interactions. Depending on the chemical nature of the solvent used during the process various nanostructures of varying shapes and morphologies can be synthesized starting from individual buckyballs and nanotubes. However, despite its wide range of applications, there is a lack of understanding of the self-assembly of carbon nanoparticles. Some of the key factors that govern the agglomeration process are the π-π interaction of the aromatic carbon nanostructures and their interaction with the solvent molecules. A predictive model for self-assembly, that relates the above parameters to the morphology, therefore needs to account for the specific molecular interactions. We present molecular simulation results that incorporate the above effects and shows that the nature of association of the nanoparticle precursors determines the shape and size of the agglomerate. Furthermore, our results show the dependency of the agglomerate size on the concentration of precursors as well as the ambient temperature.

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Yi, Jingang, Jianbo Li, and Hao Lin. "Spherical Modeling and Nonlinear Model Predictive Control of Electroporation." In ASME 2011 Dynamic Systems and Control Conference and Bath/ASME Symposium on Fluid Power and Motion Control. ASMEDC, 2011. http://dx.doi.org/10.1115/dscc2011-5984.

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Electroporation is an effective means to deliver molecules into the cellular cytoplasm, and has been widely applied in both biological research and clinical applications. The process however suffers from low viability and efficiency. In this work, we present a multi-pulse feedback control scheme for enhancing viability and efficiency of electroporation process. We first present a spherical model for cell transmembrane potential (TMP) dynamics to describe the spatial distribution of electric potential on cell membrane. Then we analyze the models and discuss the bifurcation property of the system. Based on the dynamic models, we design a nonlinear model predictive controller (NMPC) to track pore size profiles in electroporation. We demonstrate that by using NMPC, the pore size can be precisely regulated to targeted values for drug delivery applications. The control design is illustrated through simulation examples.

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Jia, Ding, Longqiu Li, Andrey Ovcharenko, Wenping Song, and Guangyu Zhang. "Molecular Dynamics Simulation of a Rigid Sphere Indenting a Copper Substrate." In ASME/STLE 2012 International Joint Tribology Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/ijtc2012-61079.

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Three-dimensional molecular dynamics (MD) simulation is used to study the atomic-scale indentation process of a spherical diamond tip in contact with a copper substrate. In the indentation simulations, the force-displacement curve is obtained and compared with a modified elastic solution of Hertz. The contact area under different indentation depths is also investigated. The force-displacement curve under different maximum indentation depths is obtained to investigate elastic-plastic deformation during the loading and unloading processes.

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Wirth, Mary J., Shiow-Hwa, and John Burbage. "Molecular rotation in organized media: surface monolayers, liquid crystals and micelles." In Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1990. http://dx.doi.org/10.1364/laca.1990.wb2.

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Molecular rotation in ordinary liquids is generally understood, albeit imperfectly. However, molecular rotation in more complicated and intriguing media, such as surface monolayers, liquid crystals and organized surfactants, is less understood. These media are structured, thus affecting the way a solute rotates. To study molecular rotation, the correlation of the orientations of 2 transition dipoles of a solute is measured as a function of time. The results are interpreted using the spherical harmonics to describe the decay of the correlation function. The keys to describing rotation in complicated media are 1) highly quantitative and sensitive measurements of the rotational correlation function and 2) development of mathematical models to describe hindered rotation. In this paper, the rotational behavior of solute probes in bonded chromatographic phases, micelles and liquid crystals is described and contrasted with rotational behavior in ordinary liquids.

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Звіти організацій з теми "Spherical top molecule"

McElwain, Terry F., Eugene Pipano, Guy H. Palmer, Varda Shkap, Stephn A. Hines, and Wendy C. Brown. Protection of Cattle against Babesiosis: Immunization against Babesia bovis with an Optimized RAP-1/Apical Complex Construct. United States Department of Agriculture, September 1999. http://dx.doi.org/10.32747/1999.7573063.bard.

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Previous research and current efforts at control of babesiosis fall short of meeting the needs of countries where the disease is endemic, such as Israel, as well as the needs of exporting countries and countries bordering on endemic areas, such as the U.S. Our long-term goal is to develop improved methods of immunization against bovine babesiosis based on an understanding of the molecular mechanisms of immune protection and parasite targets of a protective immune response. In our previous BARD project, we established the basis for focusing on rhoptry antigens as components of a subunit vaccine against bovine babesiosis, and for additional research to better characterize rhoptry associated protein-1 (RAP-1) as a target of protective immunity. In this continuation BARD project, our objectives were to [1] optimize the immune response against RAP-1, and [2] identify additional rhoptry candidate vaccine antigens. The entire locus encoding B. bovis RAP-1 was sequenced, and the rap-1 open reading frame compared among several strains. Unlike B. bigemina, in which multiple gene copies with variant domains encode RAP-1, the B. bovis RAP-1 locus contains only two identical genes which are conserved among strains. Through testing of multiple truncated constructs of rRAP-1, one or more immunodominant T cell epitopes were mapped to the amino terminal half of RAP-1. At least one linear and one conformational B cell epitope have been demonstrated in the same amino terminal construct, which in B. bigemina RAP-1 also contains an epitope recognized by neutralizing antibody. The amine terminal half of the molecule represents the most highly conserved part of the gene family and contains motifs conserved broadly among the apicomplexa. In contrast, the carboxy terminal half of B. bovis RAP-1 is less well conserved and contains multiple repeats encoding a linear B cell epitope potentially capable of inducing an ineffective, T cell independent, type 2 immune response. Therefore, we are testing an amino terminal fragment of RAP-1 (RAP-1N) in an immunization trial in cattle. Cattle have beer immunized with RAP-1N or control antigen, and IL-12 with Ribi adjuvant. Evaluation of the immune response is ongoing, and challenge with virulent B. bovis will occur in the near future. While no new rhoptry antigens were identified, our studies did identify and characterize a new spherical body antigen (SBP3), and several heat shock proteins (HSP's). The SBP3 and HSP21 antigens stimulate T cells from immune cattle and are considered new vaccine candidates worthy of further testing. Overall, we conclude that a single RAP-1 vaccine construct representing the conserved amino terminal region of the molecule should be sufficient for immunization against all strains of B. bovis. While results of the ongoing immunization trial will direct our next research steps, results at this time are consistent with our long term goal of designing a subunit vaccine which contains only the epitopes relevant to induction of protective immunity. Parallel studies are defining the mechanisms of protective immunity. Apicomplexan protozoa, including babesiosis and malaria, cause persistent diseases for which control is inadequate. The apical organelles are defining features of these complex protozoa, and have been conserved through the evolutionary process, Past and current BARD projects on babesiosis have established the validity and potential of exploiting these conserved organelles in developing improved control methods applicable to all apicomplexan diseases.

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