@article {2390,
	title = {Effect of Membrane Composition on Antimicrobial Peptides Aurein 2.2 and 2.3 From Australian Southern Bell Frogs},
	journal = {Biophysical Journal},
	volume = {96},
	number = {2},
	year = {2009},
	note = {ISI Document Delivery No.: 450BYTimes Cited: 8Cited Reference Count: 96Cheng, John T. J. Hale, John D. Elliot, Melissa Hancock, Robert E. W. Straus, Suzana K.},
	month = {Jan},
	pages = {552-565},
	type = {Article},
	abstract = {The effects of hydrophobic thickness and the molar phosphatidylglycerol (PG) content of lipid bilayers on the structure and membrane interaction of three cationic antimicrobial peptides were examined: aurein 2.2, aurein 2.3 (almost identical to aurein 2.2, except for a point mutation at residue 13), and a carboxy C-terminal analog of aurein 2.3. Circular dichroism results indicated that all three peptides adopt an a-helical structure in the presence of a 3:1 molar mixture of 1,2-dimyristoyi-sn-glycero3-phosphocholine/1,2-dimyristoyi-sn-glycero-3- [phospho-rac-(1-glycerol)] (DMPC/DMPG), and 1:1 and 3:1 molar mixtures of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine/1-paimitoyl-2-oleoyl-sn -glycero-3-[phospho-rac-(1-glycerol)] (POPC/POPG). Oriented circular dichroism data for three different lipid compositions showed that all three peptides were surface-adsorbed at low peptide concentrations, but were inserted into the membrane at higher peptide concentrations. The (31)p solid-state NMR data of the three peptides in the DMPC/DMPG and POPC/POPG bilayers showed that all three peptides significantly perturbed lipid headgroups, in a peptide or lipid composition-dependent manner. Differential scanning calorimetry results demonstrated that both amidated aurein peptides perturbed the overall phase structure of DMPC/DMPG bilayers, but perturbed the POPC/POPG chains less. The nature of the perturbation of DMPC/DMPG bilayers was most likely micellization, and for the POPC/POPG bilayers, distorted toroidal pores or localized membrane aggregate formation. Calcein release assay results showed that aurein peptide-induced membrane leakage was more severe in DMPC/DMPG liposomes than in POPC/POPG liposomes, and that aurein 2.2 induced higher calcein release than aurein 2.3 and aurein 2.3-COOH from 1:1 and 3:1 POPC/POPG liposomes. Finally, DiSC(3)5 assay data further delineated aurein 2.2 from the others by showing that it perturbed the lipid membranes of intact S. aureus C622 most efficiently, whereas aurein 2.3 had the same efficiency as gramicidin S, and aurein 2.3-COOH was the least efficient. Taken together, these data show that the membrane interactions of aurein peptides are affected by the hydrophobic thickness of the lipid bilayers and the PG content.},
	keywords = {ANTIBIOTIC PEPTIDES, CIRCULAR-DICHROISM SPECTROSCOPY, HOST-DEFENSE PEPTIDES, LIPID-COMPOSITION, MEMBRANES, MODEL, PHOSPHOLIPID-BILAYER MEMBRANES, PROTEIN SECONDARY STRUCTURE, SOLID-STATE NMR, STAPHYLOCOCCUS-AUREUS, TREE-FROG},
	isbn = {0006-3495},
	url = {<Go to ISI>://000266377200025},
	author = {Cheng, J. T. J. and Hale, J. D. and Elliot, M. and Hancock, R. E. W. and Straus, S. K.}
}
@article {2264,
	title = {The hand of the filamentous bacteriophage helix},
	journal = {European Biophysics Journal with Biophysics Letters},
	volume = {37},
	number = {6},
	year = {2008},
	note = {ISI Document Delivery No.: 314QDTimes Cited: 1Cited Reference Count: 30Straus, S. K. Scott, W. R. P. Marvin, D. A.},
	month = {Jul},
	pages = {1077-1082},
	type = {Article},
	abstract = {Filamentous bacteriophage (Inovirus) is a widely studied model system in molecular biophysics. The structure of the virion has been analysed by various methods, but the methods have seldom questioned the hand of the virion helix. The hand of the helix relating the protein subunits in the class II virus strain Pf1 was chosen by calculating an electron-density distribution from X-ray fibre diffraction data, using a maximum-entropy method, but to our knowledge this method has not been used for a similar purpose in any other system. Moreover, this same hand was extended only by analogy, with no direct analysis of the corresponding data, to the class I virus strain Ff (fd, f1, M13), which has a different helix symmetry. Here we use published solid-state NMR data to confirm the validity of the hand of Pf1 chosen by the maximum-entropy method, and to confirm the extension to Ff.},
	keywords = {ALPHA-HELIX, COAT PROTEIN, ELECTRON-DENSITY, FIBER DIFFRACTION DATA, fibre diffraction, MEMBRANE-PROTEIN, models, MOLECULAR-STRUCTURE DETERMINATION, NMR-SPECTROSCOPY, PF1, RESOLUTION, SOLID-STATE NMR, STATE, XPLOR-NIH},
	isbn = {0175-7571},
	url = {<Go to ISI>://000256823000038},
	author = {Straus, S. K. and Scott, W. R. P. and Marvin, D. A.}
}
@article {1399,
	title = {Determination of the location of naphthalene in the zeolite ZSM-5 host framework by solid-state H-1/Si-29 CP MAS NMR spectroscopy},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {84},
	number = {2},
	year = {2006},
	note = {ISI Document Delivery No.: 040YKTimes Cited: 3Cited Reference Count: 23},
	month = {Feb},
	pages = {345-355},
	type = {Article},
	abstract = {The location of naphthalene in the zeolite ZSM-5 has been determined from solid-state H-1/Si-29 cross-polarization (CP) magic-angle-spinning (MAS) NMR data alone. With the peaks in the Si-29 spectrum assigned to the inequivalent Si sites in the zeolite from a two-dimensional INADEQUATE spectrum, the rates of cross polarization between the H-1 nuclei of the guest sorbate molecules and the Si-29 nuclei of the zeolite framework were used to determine the location of the naphthalene molecules by exploiting the proportional relationship between cross-polarization rate constants and H-1/Si-29 dipolar coupling second moments. The NMR structure determination was carried out on three different selectively deuterium-labeled naphthalene molecules (naphthalene-d(0), alpha-naphthalene-d(4), and beta-naphthalene-d(4)). The average of the molecule locations in agreement with all three sets of NMR data was found to be in excellent agreement with an existing single crystal XRD structure of the naphthalene-ZSM-5 complex.},
	keywords = {COMPLEXES, cross polarization, CROSS-POLARIZATION, host-guest complexes, RAY-POWDER DIFFRACTION, SOLID-STATE NMR, SORBATE, SPECTRA, structure determination, zeolites},
	isbn = {0008-4042},
	url = {<Go to ISI>://000237417600033},
	author = {Fyfe, C. A. and Brouwer, D. H.}
}
@article {1578,
	title = {Mode of action of the new antibiotic for Gram-positive pathogens daptomycin: Comparison with cationic antimicrobial peptides and lipopeptides},
	journal = {Biochimica Et Biophysica Acta-Biomembranes},
	volume = {1758},
	number = {9},
	year = {2006},
	note = {ISI Document Delivery No.: 098LXTimes Cited: 54Cited Reference Count: 97Straus, Suzana K. Hancock, Robert E. W.},
	month = {Sep},
	pages = {1215-1223},
	type = {Review},
	abstract = {With the steady rise in the number of antibiotic-resistant Gram-positive pathogens, it has become increasingly important to find new antibacterial agents which are highly active and have novel and diversified mechanisms of action. Two classes will be discussed here: the cationic antimicrobial peptides, which are amphiphilic in nature, targeting membranes and increasing their permeability; and lipopeptides, which consist of linear or cyclic peptides with an N-terminus that is acylated with a fatty acid side chain. One member of the cyclic lipopeptide family, the anionic molecule daptomycin, has been extensively studied and is the major focus of this review. Models will be presented on its mode of action and comparisons will be made to the known modes of action of cationic antimicrobial peptides and other lipopeptides. (c) 2006 Elsevier B.V. All rights reserved.},
	keywords = {BACTERICIDAL ACTIVITY, cationic peptide, Daptomycin, ENTEROCOCCUS-FAECIUM, FATTY-ACID, Gram-positive pathogen, INVITRO ACTIVITY, LIPID-BILAYER DISRUPTION, lipopeptide, LY146032 DAPTOMYCIN, mechanism of action, POLYMYXIN-B, SOLID-STATE NMR, STAPHYLOCOCCUS-AUREUS, VALVE ENDOCARDITIS},
	isbn = {0005-2736},
	url = {<Go to ISI>://000241523100005},
	author = {Straus, S. K. and Hancock, R. E. W.}
}
@article {1063,
	title = {Can PISEMA experiments be used to extract structural parameters for mobile beta-barrels?},
	journal = {Journal of Biomolecular Nmr},
	volume = {32},
	number = {2},
	year = {2005},
	note = {ISI Document Delivery No.: 948CRTimes Cited: 4Cited Reference Count: 42},
	month = {Jun},
	pages = {101-111},
	type = {Article},
	abstract = {The effect of mobility on N-15 chemical shift/N-15-H-1 dipolar coupling (PISEMA) solid state NMR experiments applied to macroscopically oriented beta-barrels is assessed using molecular dynamics simulation data of the NalP autotransporter domain embedded in a DMPC bilayer. In agreement with previous findings for alpha-helices, the fast librational motion of the peptide planes is found to have a considerable effect on the calculated PISEMA spectra. In addition, the dependence of the chemical shift anisotropy (CSA) and dipolar coupling parameters on the calculated spectra is evaluated specifically for the beta-barrel case. It is found that the precise choice of the value of the CSA parameters sigma(11), sigma(22) and sigma(33) has only a minor effect, whereas the choice of the CSA parameter theta shifts the position of the peaks by up to 20 ppm and changes the overall shape of the spectrum significantly. As was found for alpha-helices, the choice of the NH bond distance has a large effect on the dipolar coupling constant used for the calculations. Overall, it is found that the alternating beta-strands in the barrel occupy distinct regions of the PISEMA spectra, forming patterns which may prove useful in peak assignment.},
	keywords = {ANGLE-SPINNING NMR, ASSIGNMENT, COAT PROTEIN, CONSTRAINTS, DOMAIN, HELICAL WHEELS, MEMBRANE-PROTEINS, mobility of membrane beta-barrels, MOLECULAR-DYNAMICS SIMULATIONS, mosaic spread, PISEMA, SOLID-STATE NMR, SPECTROSCOPY, time averaging},
	isbn = {0925-2738},
	url = {<Go to ISI>://000230694100001},
	author = {Bleile, D. W. and Scott, W. R. P. and Straus, S. K.}
}
@article {1114,
	title = {Measurement of NMR cross-polarization (CP) rate constants in the slow CP regime: Relevance to structure determinations of zeolite-sorbate and other complexes by CP magic-angle spinning NMR},
	journal = {Journal of Physical Chemistry A},
	volume = {109},
	number = {28},
	year = {2005},
	note = {ISI Document Delivery No.: 945UBTimes Cited: 8Cited Reference Count: 22},
	month = {Jul},
	pages = {6187-6192},
	type = {Article},
	abstract = {When analyzing I -> S variable contact time cross-polarization (CP) curves, the spin dynamics are usually assumed to be describable in the "fast CP regime" in which the growth of the S spin magnetization is governed by the rate of cross polarization while its decay is governed by the rate of I spin Tip relaxation. However, in the investigation of the structures of zeolite-sorbate and other complexes by polarization transfer this will not necessarily be the case. We discuss the measurement of I -> S CP rate constants under the "slow CP regime" in which the rate of Tip relaxation is fast compared to the rate of cross polarization, leading to a reversal of the usual assumptions such that the rate or growth is governed by the rate of I spin Tip relaxation while the decay is governed by the rate of cross polarization (and the S spin Tip relaxation). It is very important to recognize when a system is in the slow CP regime, as an analysis assuming the normal fast CP will lead to erroneous data. However, even when the slow CP regime is recognized, it is difficult to obtain absolute values for the CP rate constants from fits to standard CP curves, since the CP rate constant is correlated to the scaling factor, the contribution from Si-29 T-1 rho relaxation is ignored, and it is difficult to obtain reliable data at very long contact times. The use of a S-29{H-1} CP "drain" or "depolarization" experiment, which measures absolute values of the CP rate constants, is therefore proposed as being most appropriate for theses situations. To illustrate the importance of these observations, measurements of the H-1-Si-29 CP rate constants in the p-dichlorobenzene/ZSM-5 sorbate-zeolite complex by Si-29{H-1} CP and CP drain magic-angle spinning (MAS) NMR experiments are presented and compared and used to determine the location of the guest sorbate molecules in the cavities of the host zeolite framework.},
	keywords = {DYNAMICS, SILICATE, SOLID-STATE NMR, SPECTRA, ZSM-5},
	isbn = {1089-5639},
	url = {<Go to ISI>://000230526600007},
	author = {Fyfe, C. A. and Brouwer, D. H. and Tekely, P.}
}
@inbook {833,
	title = {Measuring the silion fluoride bond distance in zeolites},
	booktitle = {Recent Advances in the Science and Technology of Zeolites and Related Materials, Pts a - C},
	series = {Studies in Surface Science and Catalysis},
	volume = {154},
	year = {2004},
	note = {ISI Document Delivery No.: BBR47Times Cited: 0Cited Reference Count: 19Proceedings Paper14th International Zeolite Conference on Recent Advances in the Science and Technology of Zeolites and Related MaterialsAPR 25-30, 2004Cape Town, SOUTH AFRICASARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
	pages = {1319-1323},
	publisher = {Elsevier Science Bv},
	organization = {Elsevier Science Bv},
	address = {Amsterdam},
	abstract = {A common misconception is that X-ray diffraction is the best way to measure bond distances. However, in some cases where disorder is present it can yield incorrect answers. The silicon-fluoride bond distance in fluoride-containing zeolite SFF has been measured using two magic angle spinning NMR techniques. Both techniques, variable contact time cross polarization and spinning side hand intensity fitting give shorter Si-F bond distances than X-ray diffraction.},
	keywords = {5-COORDINATE SILICON, COMPLEX, IFR, IONS, LOCATION, MEDIA, MOLECULAR-SIEVES, SOLID-STATE NMR, STF, TEMPLATE},
	isbn = {0167-29910-444-51805-3},
	url = {<Go to ISI>://000227357201022},
	author = {Darton, R. J. and Brouwer, D. H. and Fyfe, C. A. and Villaescusa, L. A. and Morris, R. E.},
	editor = {VanSteen, E. and Claeys, M. and Callanan, L. H.}
}
@article {993,
	title = {Recent developments in solid-state magic-angle spinning, nuclear magnetic resonance of fully and significantly isotopically labelled peptides and proteins},
	journal = {Philosophical Transactions of the Royal Society of London Series B-Biological Sciences},
	volume = {359},
	number = {1446},
	year = {2004},
	note = {ISI Document Delivery No.: 834XSTimes Cited: 7Cited Reference Count: 125},
	month = {Jun},
	pages = {997-1008},
	type = {Review},
	abstract = {In recent years, a large number of solid-state nuclear magnetic resonance (NMR) techniques have been developed and applied to the study of fully or significantly isotopically labelled (C-13, N-15 or C-13/N-15) biomolecules. In the past few years, the first structures of C-13/N-15-labelled peptides, Gly-Ile and Met-Leu-Phe, and a protein, Src-homology 3 domain, were solved using magic-angle spinning NMR, without recourse to any structural information obtained from other methods. This progress has been made possible by the development of NMR experiments to assign solid-state spectra and experiments to extract distance and orientational information. Another key aspect to the success of solid-state NMR is the advances made in sample preparation. These improvements will be reviewed in this contribution. Future prospects for the application of solid-state NMR to interesting biological questions will also briefly be discussed.},
	keywords = {assignment strategies, CHEMICAL-SHIFT ANISOTROPIES, CROSS-POLARIZATION, DIPOLAR-CORRELATION SPECTROSCOPY, DISTANCE, HIGH-FIELD, magic-angle spinning, MAS NMR, MEASUREMENTS, MEMBRANE-PROTEIN, NMR-SPECTROSCOPY, peptide and protein labelling, RESOLUTION, ROTATING SOLIDS, SH3 DOMAIN, SOLID-STATE NMR, SPECTRIN, structural parameters},
	isbn = {0962-8436},
	url = {<Go to ISI>://000222444800010},
	author = {Straus, S. K.}
}
@article {610,
	title = {Influence of F content on the composition of Al-rich synthetic phlogopite: Part II. Probing the structural arrangement of aluminum in tetrahedral and octahedral layers by Al-27 MQMAS and H-1/F-19-Al-27 HETCOR and REDOR experiments},
	journal = {American Mineralogist},
	volume = {88},
	number = {7},
	year = {2003},
	note = {ISI Document Delivery No.: 699FDTimes Cited: 10Cited Reference Count: 28},
	month = {Jul},
	pages = {1046-1054},
	type = {Article},
	abstract = {The influence of F substitution on the local structure of Al in the tetrahedral and octahedral sheets of synthetic Al-rich phlogopite samples with nominal gel compositions of K(Mg3-xAlx)[Al1+xSi3-xO10] (OH)(y)(F)(2-y) between 0.0 less than or equal to x less than or equal to 0.8 and 0.5 less than or equal to y less than or equal to 1.8, was studied by Al-27 MAS, MQMAS, {H-1/F-19} {\textendash}> Al-27 2D CPMAS (HETCOR) and {H-1/F-19} Al-27 REDOR solid-state NMR and by IR spectroscopy. Changes in intensity of the absorption bands in the OH-stretching region of the IR spectra clearly indicate the incorporation of octahedral Al. Signals from the different phases can be separated in the Al-27 MQMAS NMR spectra by generation of an isotropic dimension in F1. The Al-27 quadrupolar parameters of the four phases were estimated from Al-27 MAS NMR spectra obtained at 104.26 and 208.42 MHz. The quadrupolar coupling constant and isotropic chemical shift increases with increasing Al content for the Al-IV site in phlogopite. The Al-VI site shows a clear increase of the asymmetry parameter and C-Q with increasing F content. The estimated Al-27 signal areas show the lowest amount of impurity phases at high OH contents and a stabilization of Al-VI sites by hydroxyl groups. The {H-1} {\textendash}> Al-27 2D CPMAS (HETCOR) NMR experiment at short contact times provides information about site neighborhoods of tetrahedral Al sites and Mg3OH as well as Mg2AlOH sites, whereas magnetization is only transferred to the octahedral At sites from hydroxyl groups in Mg2AlOH sites. The {F-19} {\textendash}> Al-27 2D CPMAS (HETCOR) NMR spectrum is dominated by Al-IV sites coupled to the Mg3F complex in phlogopite. Resonances from Mg2AlF complexes are not observed. Finally, the {H-1/F-19} Al-27 REDOR experiments support the results of the 2D CPMAS (HETCOR) experiments.},
	keywords = {ANGLE-SPINNING NMR, DOUBLE-RESONANCE, F-19 MAS-NMR, FLUORINE, HIGH-FIELD, NMR, QUADRUPOLAR NUCLEI, SI-29, SOLID-STATE NMR, SPECTRA, SUBSTITUTION},
	isbn = {0003-004X},
	url = {<Go to ISI>://000184045300013},
	author = {Fechtelkord, M. and Behrens, H. and Holtz, F. and Bretherton, J. L. and Fyfe, C. A. and Groat, L. A. and Raudsepp, M.}
}
@article {4828,
	title = {Lattice energy-minimization calculation in the further investigation of XRD and NMR studies of zeolite frameworks},
	journal = {Chemistry of Materials},
	volume = {12},
	number = {2},
	year = {2000},
	note = {ISI Document Delivery No.: 287JNTimes Cited: 6Cited Reference Count: 29},
	month = {Feb},
	pages = {336-342},
	type = {Article},
	abstract = {A knowledge of the local structure of zeolite frameworks is an important prerequisite for a detailed and quantitative understanding of e.g, catalytic processes. In the present work the sensitivity of 1D and 2D MAS NMR experiments to the local order of framework T atoms and energy-minimization calculations for the geometrical analysis of the complete zeolite framework structure are combined to provide a most detailed view of their structural properties. Correlations of the chemical shifts, delta(Si-29), with the mean distance between Si and its neighboring Si T atoms, (d) over bar(Si-Si), are presented for the three materials MFI, MEL, and MTT. Excellent agreement between experimental and computational results was obtained. In the case of MFI, this most complicated structure was used to demonstrate the viability of the method. The MTT and MEL systems showed that it is possible to deduce the unique assignment of the NMR spectra from energy-minimized structures when it is not possible using the available structural data from X-ray structure analysis. Taken together, all three investigations also demonstrate that improved structural data are obtained from lattice energy minimizations compared to those from Rietveld analysis as long as the topology of the framework is known.},
	keywords = {3-DIMENSIONAL BONDING CONNECTIVITIES, CHEMICAL-SHIFTS, HIGH-TEMPERATURE, NUCLEAR MAGNETIC-RESONANCE, ORTHORHOMBIC FRAMEWORK, SI-29 MAS-NMR, SILICA POLYMORPHS, SOLID-STATE NMR, X-RAY-DIFFRACTION, ZSM-11},
	isbn = {0897-4756},
	url = {<Go to ISI>://000085502900017},
	author = {Hochgrafe, M. and Gies, H. and Fyfe, C. A. and Feng, Y. and Grondey, H.}
}
@article {4813,
	title = {Solid-state NMR and X-ray diffraction structural investigations of the p-nitroaniline/ZSM-5 complex},
	journal = {Microporous and Mesoporous Materials},
	volume = {39},
	number = {1-2},
	year = {2000},
	note = {ISI Document Delivery No.: 354ZKTimes Cited: 15Cited Reference Count: 19},
	month = {Sep},
	pages = {291-305},
	type = {Article},
	abstract = {The complex of zeolite ZSM-5 loaded with p-nitroaniline to four molecules per unit cell is of current interest as a potential non-linear optical material. A previous single crystal X-ray diffraction (XRD) investigation has claimed that the p-nitroaniline molecules line up as oriented dipole chains inside the channels of ZSM-5, and it was concluded that this ordering explains how second harmonic generation arises. In another XRD study, it was not possible to distinguish between order and disorder of the p-nitroaniline molecules. The present results from solid-state NMR and single crystal XRD experiments indicate that the p-nitroaniline molecules are disordered in the ZSM-5 channels, i.e., they do not form ordered dipole chains throughout the entire crystal. The quantitative Si-29-MAS spectrum at room temperature shows 48 peaks of equal intensity indicating disorder of the guest molecules, and the N-15-MAS spectrum at 180 K of the N-15-labeled p-nitroaniline in ZSM-5 shows a splitting of the NO2 resonance, which also implies disorder. The single crystal XRD results show that the p-nitroaniline molecules are disordered over four-sites at the channel intersection even when refined in the less symmetric Pn2(l)a space group. The final structure was refined in the orthorhombic Pnma space group to R = 0.0465. The nature of this disorder is discussed. In particular, the possibilities of disorder arising from the average of polar domains or local disorder are examined in the light of the solid-state NMR results. That the p-nitroaniline molecules are disordered in ZSM-5 implies that the mechanism by which second harmonic generation arises may be more complex than is presently assumed. (C) 2000 Elsevier Science B.V. All rights reserved.},
	keywords = {CRYSTAL STRUCTURE-ANALYSIS, DICHLOROBENZENE, harmonic generation, LOCATION, MFI, MOLECULAR-SIEVE, p-nitroaniline, second, SINGLE-CRYSTAL, SOLID-STATE NMR, x-ray diffraction, ZEOLITE H-ZSM-5, ZSM-5},
	isbn = {1387-1811},
	url = {<Go to ISI>://000089361000029},
	author = {Fyfe, C. A. and Brouwer, D. H.}
}
@article {4710,
	title = {Synthesis and characterization of AlPO4-36: a novel aluminophosphate molecular sieve with ATS structure},
	journal = {Microporous and Mesoporous Materials},
	volume = {32},
	number = {3},
	year = {1999},
	note = {ISI Document Delivery No.: 261CDTimes Cited: 16Cited Reference Count: 32},
	month = {Dec},
	pages = {241-250},
	type = {Article},
	abstract = {AlPO-36, the parent member of the ATS, molecular sieve structure type, has been synthesized hydrothermally from gels containing only Al and P oxides. Four series of syntheses were carried out to determine the best conditions for the preparation of AlPO-36 free of AlPO-H3, Characterization of the synthesis products was performed using X-ray diffraction (XRD), chemical analysis, scanning electron microscopy (SEM), N-2 adsorption, X-ray photoelectron spectroscopy (XPS) and Al-27 and P-31 MAS NMR. X-ray powder diffraction patterns are comparable to those previously reported for MAPO-36. (C) 1999 Elsevier Science B.V. All rights reserved.},
	keywords = {ADSORPTION, Al-27 and P-31 MAS NMR, AlPO-36, ATS structure type, FRAMEWORK TOPOLOGY, molecular sieves, scanning electron microscopy, SOLID-STATE NMR, THERMAL-STABILITY, VPI-5, WATER, XPS, XRD},
	isbn = {1387-1811},
	url = {<Go to ISI>://000083989500002},
	author = {Zahedi-Niaki, M. H. and Xu, G. Y. and Meyer, H. and Fyfe, C. A. and Kaliaguine, S.}
}
@article {4385,
	title = {(13)CPMAS-NMR spectroscopy and chemical analysis of coarse woody debris in coastal forests of Vancouver Island},
	journal = {Forest Ecology and Management},
	volume = {111},
	number = {1},
	year = {1998},
	note = {ISI Document Delivery No.: 137DZTimes Cited: 46Cited Reference Count: 52},
	month = {Nov},
	pages = {51-68},
	type = {Article},
	abstract = {The coastal forests of British Columbia have large accumulations of coarse woody debris, and information on this pool is considered essential in developing sustainable management practices. We characterized coarse woody debris (7-12 and >12 cm diameter) in forest chronosequences of four age classes located on the eastern and western sides of Vancouver Island. For three species (Douglas-fir (Pseudotsuga menziesii (Mirb.) France), western hemlock (Tsuga heterophylla (Raf.) Sarg), western red cedar (Thuja plicata Donn.)) and unidentified samples, increases in decay class (I to V, assigned in the field) were associated with decreasing density, and small increases in concentrations of C, N, and P. Sulfur concentrations (0.6-2.4 g/kg) were higher than those found elsewhere for wood and did not show any significant changes with decay class. C-13 nuclear magnetic resonance spectroscopy with cross polarization and magic-angle spinning (C-13-CPMAS-NMR) was used to analyze organic components in a subset of samples >12 cm. Logs up to decay class III generally showed little change in composition or a slight increase in polysaccharide C. After this, polysaccharide was lost more quickly and logs of decay class V were composed almost entirely of lignin, a pattern consistent with decay by brown-rot fungi. However, two samples of western red cedar decay class III and IV showed accumulation of polysaccharide, the pattern expected from white-rot fungi. The results of the density, chemical and NMR analysis indicate that for management purposes, a system with fewer decay classes would suffice. (C) 1998 Elsevier Science B.V.},
	keywords = {BRITISH-COLUMBIA, brown-rot, chronosequence, COLORADO BLUE SPRUCE, cross polarization, CUO OXIDATION, DECOMPOSITION, DOUGLAS-FIR FORESTS, LIGNIN, NUCLEAR-MAGNETIC-RESONANCE, NUTRIENT CONTENT, SOLID-STATE NMR, SULFUR, WESTERN OREGON, white-rot, WHITE-ROT DECAY},
	isbn = {0378-1127},
	url = {<Go to ISI>://000076900700005},
	author = {Preston, C. M. and Trofymow, J. A. and Niu, J. and Fyfe, C. A.}
}
@article {3980,
	title = {Pulsed field gradient multiple-quantum MAS NMR spectroscopy of half-integer spin quadrupolar nuclei},
	journal = {Chemical Physics Letters},
	volume = {281},
	number = {1-3},
	year = {1997},
	note = {ISI Document Delivery No.: YP239Times Cited: 22Cited Reference Count: 32},
	month = {Dec},
	pages = {44-48},
	type = {Article},
	abstract = {Pulsed field gradients (PFGs) have been applied to select coherence transfer pathways in multiple-quantum (MQ) MAS NMR spectra of half-integer spin quadrupolar nuclei in rigid solids. Al-27 triple-quantum (3Q) MAS NMR spectra of the aluminophosphate molecular sieves VPI-5 and AlPO4-18 have been used to demonstrate the selection of the (0) {\textendash}> (3) {\textendash}> (-1) coherence transfer pathway using PFGs and no phase cycling. Compared to MQMAS experiments that employ phase cycling schemes, the main advantage of the PFG-MQMAS technique is its simplicity, which should facilitate the combination of MQMAS with other pulse sequences. (C) 1997 Elsevier Science B.V.},
	keywords = {ANGLE, ROTOR, SOLID-STATE NMR, TRANSITIONS},
	isbn = {0009-2614},
	url = {<Go to ISI>://000071256600006},
	author = {Fyfe, C. A. and Skibsted, J. and Grondey, H. and zu Altenschildesche, H. M.}
}
@article {3696,
	title = {The structure of the low temperature (20 K) form of zeolite ZSM-11 derived from Si-29 MAS NMR spectroscopy, lattice energy minimization and Rietveld refinement},
	journal = {Zeitschrift Fur Kristallographie},
	volume = {211},
	number = {4},
	year = {1996},
	note = {ISI Document Delivery No.: UG444Times Cited: 8Cited Reference Count: 17},
	pages = {221-227},
	type = {Article},
	abstract = {The crystal structure of the low temperature form of ZSM-11 (structure code MEL) was refined from high resolution synchrotron X-ray powder diffraction data, recorded at 20 K. Based on the results of 2D Si-29 NMR investigations a model was obtained by energy minimization the Rietveld refinement of which converged in space group <I(4)over bar> (No. 82) [a = 20.019(2) Angstrom; c = 13.380(1) Angstrom] to R(I) = 0.143 and R(wp) = 0.126. Comparison of the theoretically predicted and experimentally determined structures against results from NMR experiments using the average T-T distance relationship between the structural parameters and the isotropic Si-29 chemical shifts did not show any correlation with the results of the structure refinement. However, with the values obtained from the energy-minimized structure model a good correlation between the structural parameters and the chemicals shifts of Si was obtained for one of the two possible assignments of the NMR chemical shifts to Si-sites. The fit of the energy minimized model to the experimental data set gave R(I) = 0.179 and R(wp) = 0.157. Since the NMR experiment gives direct information about the local ordering and structural state of the material this demonstrates the potential of the modeling experiment and also reveals the limits in accuracy and precision of the Rietveld structure refinement.},
	keywords = {beta, COMBINATION, CONNECTIVITIES, lattice energy minimization, NATURAL-ABUNDANCE, Rietveld refinement, Si-29 NMR, SOLID-STATE NMR, X-RAY-DIFFRACTION, zeolites},
	isbn = {0044-2968},
	url = {<Go to ISI>://A1996UG44400001},
	author = {Hochgrafe, M. and Marler, B. and Gies, H. and Fyfe, C. A. and Feng, Y. and Grondey, H. and Kokotailo, G. T.}
}
@article {7022,
	title = {NATURAL ABUNDANCE, 2-DIMENSIONAL SI-29 MAS NMR INVESTIGATION OF THE 3-DIMENSIONAL BONDING CONNECTIVITIES IN THE HIGH-TEMPERATURE AND LOW-TEMPERATURE FORMS OF ZEOLITE ZSM-11},
	journal = {Journal of Physical Chemistry},
	volume = {95},
	number = {9},
	year = {1991},
	note = {ISI Document Delivery No.: FK322Times Cited: 20Cited Reference Count: 29},
	month = {May},
	pages = {3747-3751},
	type = {Article},
	abstract = {Two-dimensional 29Si solid-state NMR experiments have been used to investigate the three-dimensional bonding connectivities in ZSM-11 in both its high- and low-temperature forms, which are related to each other by a temperature-induced phase transition. The high-temperature form is known to have tetragonal symmetry with space group I4BARm2, while the details of the ZSM-11 structure at low temperatures are not known to date from diffraction measurements. 2-D INADEQUATE experiments at high temperature (340 K) confirmed the postulated structure. All of the nine expected connectivities were observed, permitting an unambiguous assignment of the spectrum. In the low-temperature (303 K) 2-D experiments, enough information was obtained that, combined with the knowledge of the high-temperature structure, a structure could be suggested for the low-temperature form. The complete connectivities of T sites in the structure were established, and at least one space group, I4BAR, is compatible with the NMR data.},
	keywords = {coherence, DIFFRACTION, LATTICE CONNECTIVITIES, SITES, SOLID-STATE NMR, SPECTROSCOPY},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1991FK32200057},
	author = {Fyfe, C. A. and Feng, Y. and Grondey, H. and Kokotailo, G. T. and Mar, A.}
}
