Western redcedar (Thuja plicata Donn ex D. Don), a late successional species on northern Vancouver Island, has a low seedling survival in mature hemlock (Tsuga heterophylla (Raf.) Sarg.) – amabilis fir (Abies amabilis (Dougl. ex Loud.) Dougl. ex J. Forbes) (HA) stands. Shade, moss competition, and substrate were tested as causes of low cedar establishment. Cedar seeds were sown on reference and local soils isolated from surrounding soil, on nonisolated local soil, and on forest floor with moss removed. Western hemlock, amabilis fir, and cedar seeded on forest floor acted as controls. Treatments were implemented in the HA interior and the HA–clearcut edge, with soil treatments also implemented in clearcuts. Germinants and very young seedlings of cedar have a low leaf area of needle-like primary foliage. Cedar development of secondary foliage (the scale foliage normally associated with this species) was correlated with greater vigour and growth. Secondary foliage developed in the rankings forest edge and clearcut > forest interior, and reference isolated soil > local isolated soil > nonisolated local soil. Seedling survival rankings were edge > interior, and amabilis fir > hemlock > cedar on soil and with moss removed > cedar on forest floor. Cedar and amabilis fir showed a smaller growth response to light than hemlock. The results indicate that cedar, normally considered a late successional species, needs disturbance for early seedling establishment and survival and thus has some characteristics of an early seral species.

The ability of trees dependent on arbuscular mycorrhizal (AM) fungi to establish in ectomycorrhizal forests is unknown. On northern Vancouver Island, Canada, there are sharp boundaries between mixed red cedar (Thuja plicata)-hemlock (Tsuga heterophylla) (CH) stands, and stands of hemlock and amabilis fir (Abies amabilis) (HA). We tested differences in AM colonization of red cedar between ectomycorrhiza-dominated (HA) stands and stands containing red cedar (CH), across a range of light levels. We used a soil bioassay approach to determine whether there was sufficient AM fungal inoculum in the HA tree stands to colonize red cedar seedlings. Seeds of hemlock and red cedar were sown in forest floor samples collected from the two types of forests, and shade treatments ranging from < 1 to 53% of full sunlight were imposed. After 6 months, seedling survival and root and shoot biomass were quantified, and red cedar seedlings were sampled for AM fungal colonization. Hemlock survival and growth did not differ between soil types, suggesting there was no substrate-associated limitation to its establishment in either forest type. Red cedar colonization by AM fungi was significantly correlated with light levels in CH soils but arbuscular mycorrhizas were absent in roots of red cedar seedlings grown in HA soil. Red cedar survival and relative growth rate were significantly greater in the CH than in HA soil; higher growth was due primarily to greater shoot growth in CH soils at high light levels. The low soil inoculum potential for red cedar in ectomycorrhiza-dominated stands may account for the virtual exclusion of red cedar seedlings from these forests.

The complexity of 1 H NMR spectra of solutes in partially ordered solvents such as liquid crystals increases rapidly with the number of spins. Spectra of simple solutes with sufficient symmetry and containing not too many spins ͑typically Յ8͒ are readily analyzed. The analysis of larger spin systems is more difficult, and often impossible. In this paper we present the application of a general automated evolutionary algorithm to solve the highly complex proton NMR spectrum of the 12-spin system pentane, a solute that interconverts rapidly among several symmetry-unrelated conformations. The interpretation of the spectral parameters that are obtained from the analysis requires the use of a model to connect relative orientational orders in symmetry-unrelated conformers.

NMR spectra of ethane, propane, and n-butane as solutes in the nematic liquid crystals 4-n-pentyl-4(')-cyanobiphenyl (5CB) and Merck ZLI 1132 (1132) are investigated over a wide temperature range. The ratios of dipolar couplings of ethane to propane are constant over the entire temperature range. Assuming that this constancy applies to the butane conformers facilitates the separation of probability from order parameter. This separation allows the investigation of conformational distribution without the need of invoking any model for the anisotropic intermolecular potential. The results give an order matrix that is consistent with that predicted from model potentials that describe the orientational potential in terms of short-range size and shape effects. The isotropic intermolecular potential contribution to the trans-gauche energy difference E(tg) is found to be temperature dependent with the values and variation in agreement with that found when the same results are analyzed using the chord model for anisotropic interactions [A. C. J. Weber and E. E. Burnell, Chem. Phys. Lett. 506, 196 (2011)]. The fit obtained for 9 spectra in 5CB (63 dipolar couplings) has an RMS difference between experimental and calculated dipolar couplings of 2.7 Hz, while that for the 16 spectra in 1132 (112 couplings) is 6.2 Hz; this excellent fit with nine adjustable parameters suggests that the assumption of equal temperature dependencies of the order parameters for ethane, propane, and each conformer of butane is correct. Also the fit parameters (E(tg) and the methyl angle increase) obtained for 1132 and 5CB agree. The results indicate that the chord model, which was designed to treat hydrocarbon chains, is indeed the model of choice for these chains. The temperature variation of E(tg) provides a challenge for theoreticians. Finally, even better fits to the experimental dipolar couplings are obtained when the energy in the Boltzmann factor is used for scaling ethane to butane results. However, in this case the values obtained for E(tg) differ between 1132 and 5CB.

From the dipolar couplings obtained by NMR spectroscopy we have calculated the order parameters of a wide variety of solutes in the nematic and smectic A phases of the liquid crystals 8CB and 8OCB. These measurements are then rationalized with the previously tested two Maier-Saupe Kobayashi-McMillan interaction potential from which smectic order parameters are calculated.

The NMR spectra of n-pentane as solute in the liquid crystal 5CB are measured at several temperatures in the nematic phase. Atomistic molecular dynamics simulations of this system are carried out to predict the dipolar couplings of the orientationally ordered pentane, and the spectra predicted from these simulations are compared with the NMR experimental ones. The simulation predictions provide an excellent starting point for analysis of the experimental NMR spectra using the covariance matrix adaptation evolutionary strategy. This shows both the power of atomistic simulations for aiding spectral analysis and the success of atomistic molecular dynamics in modeling these anisotropic systems.

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The determination of accurate structures of relatively small molecules dissolved in liquid-crystal solvents is no trivial matter. Extensive vibrational corrections to the observed dipolar couplings are required. Vibrational force fields are often available, but the usual harmonic corrections are strictly limited to small-amplitude internal motions. Moreover, the need to also apply anharmonic corrections and to include the elusive vibration-reorientation interaction is problematic and can only be fulfilled for a very limited set of small molecules. In this paper we discuss the implications for the accuracy of the structure of larger molecules for which this information is not available. We discuss the examples of azulene and biphenylene, and set realistic limits on their proton structures, derived from (1)H dipolar couplings extracted from NMR spectra obtained in different liquid-crystal solvents and analyzed with sophisticated evolutionary algorithms.