Rotational-echo double resonance of uniformly labeled 13C clusters

The use of rotational-echo double resonance NMR to measure distances from an observed tightly coupled cluster of 13C spins to a distant 15N, 31P, or 19F is practical if 13C chemical shifts and homonuclear 13C-13C isotropic J interactions are refocused by a combination of rotor-synchronized 13C pi and pi/2 pulses. This scheme is illustrated by experiments performed on diluted and recrystallized L-[13C(3),15N]alanine and L-[13C(6),alpha-15N]histidine.     

Melting properties of mixed Ni13-xAlx(x=0 to 13) clusters

Starting from the configuration full optimized by Genetic Algorithm (GA), the melting behaviors of Binary Ni13-xAlx(x=0 to 13) clusters have been investigated by Monte Carlo (MC) simulations with Metropolis algorithm with a n-body Gupta potential. In contrast to bulk, these clusters have smeared first order transitions occurring over a range of temperature. The melting temperature Tm calculated from Lindemanns criterion vary drastically with concentrations x. For most clusters studied, the average energy per atom E, the relative root-mean-square (rms) bond length fluchuation δ and the heat capacity C per atom related to the energy fluctuation of the system change with temperature in the transition region in manners differing from LJ and alkali metal clusters. For Ni12Al, Ni7Al6, Ni6Al7, Ni5Al8 clusters, there are behaviors characteristic of magic number in C, which do not exist in the pure TM clusters.     

Nanometer interatomic distances in Rydberg Matter clusters confirmed by phase-delay spectroscopy

Recently, rotational spectroscopy in the radio frequency range was used to determine the bond lengths in several types of potassium Rydberg Matter (RM) clusters with high precision (Mol Phy 105: 933–939, 2007). Due to the large bond lengths of a few nm and well-ordered structure of such clusters, it is expected that light scattering can be used to determine their dimensions. A weak carbon dioxide laser beam is introduced collinearly into a tunable RM cavity. When RM is formed, a very pronounced fringe structure with several hundred fringes is observed at the detector as a function of the grating position. These fringes show a phase delay of the carbon dioxide laser light caused by reflections within the RM clusters. The delay lengths derived from the fringe structure give distances between the rows of atoms in the clusters. The excitation level of the most easily observed clusters is n = 5. Clusters with n = 6, 7, and 8 are also commonly detected. The bond distance for n = 5 is found to be 3.804 ± 0.015 nm, while that for n = 6 is 5.525 ± 0.014 nm, in accurate agreement with values from rotational spectroscopy.     

In vivo dynamic turnover of cerebral 13C isotopomers from [U-13C]glucose

An INEPT-based (13)C MRS method and a cost-effective and widely available 11.7 Tesla 89-mm bore vertical magnet were used to detect dynamic (13)C isotopomer turnover from intravenously infused [U-(13)C]glucose in a 211 microL voxel located in the adult rat brain. The INEPT-based (1)H-->(13)C polarization transfer method is mostly adiabatic and therefore minimizes signal loss due to B(1) inhomogeneity of the surface coils used. High quality and reproducible data were acquired as a result of combined use of outer volume suppression, ISIS, and the single-shot three-dimensional localization scheme built in the INEPT pulse sequence. Isotopomer patterns of both glutamate C4 at 34.00 ppm and glutamine C4 at 31.38 ppm are dominated first by a doublet originated from labeling at C4 and C5 but not at C3 (with (1)J(C4C5) = 51 Hz) and then by a quartet originated from labeling at C3, C4, and C5 (with (1)J(C3C4) = 35 Hz). A lag in the transition of glutamine C4 pattern from doublet-dominance to quartet dominance as compared to glutamate C4 was observed, which provides an independent verification of the precursor-product relationship between neuronal glutamate and glial glutamine and a significant intercompartmental cerebral glutamate-glutamine cycle between neurons and glial cells.     

The 13-atom encapsulated gold cage clusters

The structure and the magnetic moment of transition metal encapsulated in a Au 12 cage cluster have been studied by using the density functional theory.The results show that all of the transition metal atoms(TMA) can embed into the Au 12 cage and increase the stability of the clusters except Mn.Half of them have the I h or O h symmetry.The curves of binding energy have oscillation characteristics when the extra-nuclear electrons increase;the reason for this may be the interaction between parity changes of extra-nuclear electrons and Au atoms.The curves of highest occupied molecular orbital-lowest unoccupied molecular orbital(HOMO-LUMO) gap also have oscillation characteristics when the extra-nuclear electrons increase.The binding energies of many M@Au 12 clusters are much larger than that of the pure Au 13 cluster,while the gaps of some of them are less than that of Au 13,so maybe Cr@Au 12,Nb@Au 12,and W@Au 12 clusters are most stable in fact.For magnetic calculations,some clusters are quenched totally,but the Au 13 cluster has the largest magnetic moment of 5 μ B.When the number of extra-nuclear electrons of the encapsulated TMA is even,the magnetic moment of relevant M@Au 12 cluster is even,and so are the odd ones.     

The 13C2 and 12C13C Ballik-Ramsay system

The infrared spectrum of the b³Σ⁻ → a³Π Ballik-Ramsay system has been observed for both ¹³C₂ and ¹²C¹³C isotopic species using high-resolution Fourier transform spectroscopy. Twelve bands: 0 → 0, 1 → 0, 1 → 1, 2 → 0, 2 → 1, 3 → 1, 3 → 2, 4 → 2, 4 → 3, 5 → 2, 5 → 3, 6 → 3 of ¹³C₂ and seven bands: 0 → 0, 1 → 0, 1 → 1, 2 → 0, 2 → 1, 3 → 1, 3 → 2 of ¹²C¹³C were identified in the spectral range 3500–12 000 cm⁻¹. Perturbations in the b³Σ⁻ (v = 0, 1, 2, 3) levels were reduced and accurate perturbation parameters derived from the analysis. A comparison with ab initio calculated spin-orbit coupling constants is presented.     

Genealogical trees from genetic distances

In a population with haploid reproduction any individual has a single parent in the previous generation. If all genealogical distances among pairs of individuals (generations from the closest common ancestor) are known it is possible to exactly reconstruct their genealogical tree. Unfortunately, in most cases, genealogical distances are unknown and only genetic distances are available. The genetic distance between two individuals is measurable from differences in mtDNA (mitochondrial DNA) since in the case of humans or other complex organisms mtDNA is transmitted in a haploid manner. An analogous distance can be also computed for languages where it may be measured from lexical differences, in this case, nevertheless, haploid reproduction is only a raw approximation. Assuming a constant rate of mutation, these genetic distances are random and proportional only on average to genealogical ones. The reconstruction of the genealogical tree from the available genetic distances is forceful imprecise. In this paper we try to quantify the error one may commit in the reconstruction of the tree for different degrees of randomness. The errors may concern both topology of the tree (the branching hierarchy) and, in case of correct topology, the proportions of the tree (length of various branches).     

Elastic scattering and fusion cross sections of 13C+13C

The ¹³C+¹³C total fusion cross section has been determined in the range 3.26⩽E_c.m.⩽8.0 MeV using Ge(Li) detector measurements of low-lying transitions in the residual nuclei and a statistical model calculation of excited state populations. The six most abundantly produced residual nuclei have been observed and their yields are given. To constrain the parameters in fusion models for these reactions, we have also taken elastic scattering data at θ_c.m.=60°, 70°, 80°, and 90° for 4.5⩽E_c.m.⩽8.5 MeV, as well as angular distributions at E_c.m.=7.0 and 8.0 MeV. The IWBC model and an optical model with a “shallow” potential have been used for parametrizing the nucleus-nucleus interaction.     

Magnetic elastic electron scattering from 3Be and 13C

Elastic scattering through 180° from ⁹Be, ¹²C and ¹³C targets has been observed for electrons of 35 to 90 MeV. Magnetic scattering cross sections for ⁹Be and ¹³C have been obtained by subtracting charge scattering as deduced from the scattering from the spin-zero nucleus ¹²C. Theoretical shell model predictions for the magnetic cross sections are derived for (1s)⁴(1p)^A?4 configurations and various coupling schemes. Both harmonic oscillator and Woods-Saxon radial wave functions are used. A comparison of our results with magnetic cross sections calculated in DWBA yields magnetic rms radii $\text{〈r}{}^2\text{〉}{}_{\mathrm{<mtext>M</mtext>}}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{= 3.2 ± 0.3}\text{fm}$ and $\text{〈r}{}^2\text{〉}{}_{\mathrm{<mtext>M</mtext>}}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{= 3.3 ± 0.3}\text{fm}$ for ⁹Be and ¹³C. For ¹³C a combined flt to our low-q data and to earlier high-q data, yields $\text{〈r}{}^2\text{〉}{}_{\mathrm{<mtext>M</mtext>}}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{= 3.4 ± 0.1}\text{fm}$ and a strong preference for intermediate coupling (IC) wave functions. Magnetic dipole scattering from ⁹Be is also close to the IC prediction, as deduced from a fit to our data and earlier high-q data. The fitted value of the octupole moment $\text{Ω = 5±1 μ}{}_{\mathrm{<mtext>N</mtext><mtext>fm</mtext>}}{}^1$ can only be explained by a deformation of the average nuclear potential. The radial size $\text{〈r}{}^2\text{〉}{}_{\mathrm{<mtext>1</mtext><mtext>p</mtext>}}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}\text{= 2.85 ± 0.05}\text{fm}$ for the 1p radial wave function is in agreement with both the ⁹Be and ¹³C data.     

Spin-lattice relaxation in 13CH3 compounds: application to 13C enriched aspirin

Spin-lattice relaxation processes in ¹³CH₃ groups in methyl compounds are studied both theoretically and experimentally. The four spin-½ nuclei in such methyl groups give rise to 16 spin-rotational states, which are split by rotational tunnelling. From the corresponding populations (15 independent) five long lived combinations are formed: the ¹³C magnetization M _C, proton magnetization M _H, tunnelling energy TE, rotational polarization RP and dipolar energy DE. Their spin-lattice relaxation via the transitions induced by the ¹³C-proton dipolar interaction is studied in detail. Direct relaxation rates and coupling terms between these combinations are derived. Predictions are compared with experimental data for ¹³C spin-lattice relaxation at 75.4 MHz in 99% enriched (only methyl carbons enriched) single crystal of aspirin. Above 40 K, the M _C recovery is exponential and describable in terms of the direct relaxation transitions without couplings. The same is true for the initial relaxation in the region of non-exponential relaxation between 30 K and 40 K. The orientation dependence of the initial relaxation rate agrees with the theoretical calculations. The non-exponentiality is related to resonant level-crossing transitions with ω_t, + ω_C = ω_H, where the angular frequencies represent rotational tunnelling and carbon and proton resonances, respectively. The resonant transitions produce couplings between M _C, M _H and TE that are described quite accurately by the present model.     

Millimetre-wave spectrum of anti-13C1 and 13C2 isotopologues of ethanol

The rotational spectra of the two monosubstituted ¹³C isotopologues of the anti conformer of ethanol have been measured between 80–800 GHz using three different spectrometers at the Cologne Laboratory Astrophysics group. The dataset was constrained for fitting with a standard Watson-S reduction Hamiltonian by rejecting transitions from high-lying states showing significant perturbation with the gauche states and by averaging some small methyl torsional splits. This treatment is compatible with the needs for a first astrophysical research for which an appropriate set of predictions is given.     

Neutrino detection at large distances from accelerators

Summary Fluxes and spectra of muon and hadron showers from neutrinos from an accelerator are calculated far from this accelerator. Decays of π⁺-, K⁺-mesons and charmed particles generated in nuclear interactions of protons are taken as neutrino sources. The calculations are made for different proton energies. At high energies muon and hadron shower fluxes from neutrinos from charmed particles begin to be equal and then tend to exceed the corresponding fluxes from neutrinos from pions and kaons. For a more correct knowledge of the neutrino flux it is useful to measure the depth-intensity curve for muons near the accelerator. The possibility of muon and hadron shower detection with small and ?DUMAND?-type installations is considered. The problem about whether we can use neutrinos from an accelerator and cosmic-ray neutrinos to study the Earth's interior is discussed. Remarks are made on the questions of the search of elements with highZ with neutrinos from accelerators and of energy depositions of these neutrinos in their path through the Earth matter.

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Riassunto I flussi e gli spettri degli sciami muonici e adronici dai neutrini di un acceleratore sono calcolati lontano da questo acceleratore. I decadimenti dei mesoni π⁺ e K⁺ e delle particelle con charm generate in interazioni nucleari di protoni sono considerati come sorgente di neutrini. Si effettuano i calcoli per diverse energie protoniche. Ad alte energie i flussi degli sciami adronici e muonici dai neutrini che derivano dalle particelle con charm cominciano ad essere uguali e in seguito ad essere maggiori dei flussi corrispondenti dervanti dai neutrini che derivano dai pioni e dai kaoni. Per una conoscenza piú corretta del flusso dei neutrini è utile misurare la curva profondità-intensità per muoni vicino all'acceleratore. Si considerano le possibilità di rilevare sciami muonici e adronici con installazioni piccole e di tipo DUMAND. Si discute il problema di poter usare neutrini di un acceleratore e neutrini dei raggi cosmici per studiare l'interno della Terra. Si fanno alcuni commenti sul problema della ricerca di elementi conZ grande con neutrini di acceleratori e sulla deposizione d'energia di questi neutrini durante il loro passaggio attraverso la materia terrestre.

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Резюме Вычислены потоки и спектры мюонов и адронных ливней от нейтрино от ускорителей на больших расстояниях от этих ускорителей. Как источники нейтрино рассмотрены распады π⁺-, K⁺-мезонов и чармированных частиц, генерируемых в ядерных взаимодействиях протонов. Вычисления проведены для различных энергий протонов. При высоких энергиях потоки мюонов и адронных ливней от нейтрино от чармированных частиц начинают сравниваться, а потом и превосходить соответствующие потоки от нейтрино от пионов и каонов. Для более точного знания потоков нейтрино, идущих от ускорителя, полезно измерять вблизи ускорителя кривую глубина-интенсивность для мюонов. Рассматриваются возможности детектирования мюнов и адронных ливней от нейтрино от ускорителей на больших расстояниях небольшими установками и установкми типа ДЮМАНД. Обсуждаются возможности использования нейтрино от ускорителей и нейтрино космических лучей для изучения внутреннего строения Земли. Сделаны небольшие замечания к вопросу о поиске с помощью нейтрино от ускорителей элементов с большимZ и к вопросу об энерговыделениях этих нейтрино вдоль пути их прохождения через вещество Земли.