bluuebunny/crossref_metadata_2025 huggingface dataset:
Directional Characteristics of Near Infrared Light Reflected from Wood
Authors: Tsuchikawa Satoru , Torii Misato , Tsutsumi Shigeaki
Published: October 2004

A near infrared auto-goniophotometer was designed to acquire detailed information on optical characteristics
of a biological material which had a cellular structure, such as wood. The reflected light, which
originated from the irradiation of polarized near infrared light, was separated into an unpolarized and a
polarized component by using two polarizing filters. The standardized reflected intensities of each component
at various incident angles θ and observation angles η, ρup
(θ, η) and ρp
(θ, η), were measured. Sitka
spruce samples with various thicknesses were used. The measurements showed that the directional characteristics
of the unpolarized component were affected significantly by the irradiation conditions and the
sample thickness. Particularly, these varied with the wavelength of incident light λ. This shows that the
directional characteristics models we proposed previously are reasonable. On the other hand, matrices
of the directional characteristics for polarized components typically show an elliptical shape which is
strongly affected by incident angle and only slightly by λ. Based on these results, the effects of sample
thickness on the spectral directional characteristics were determined.
Intra-Ring Variations in the Rolling Shear Modulus of Spruce Wood
Authors: Dumail Jean-François , Salmén Lennart
Published: October 2004

The mechanical properties of wood are highly related to its structure, and knowledge regarding the influence
of, for instance, density and fiber wall structure is needed for a better utilisation of the wood material.
In this work, the Iosipescu method was used to test wood in rolling shear in order to establish the
intra-ring variations in the wet shear modulus of spruce wood. The shear modulus increased from the
earlywood to the latewood within the annual rings. This increase in the wet shear modulus was explained
to 80% by the variations in the density of the wood.
Study on Alkali-Accessible Chromophores from Unbleached Kraft Pulp
Authors: Bikova T. , Klevinska V. , Eremeeva T. , Treimanis A.
Published: October 2004

An approach to a chromophore composition study using the direct size-exclusion chromatography (SEC-UV)
analysis of an alkaline extract of pulp fibre walls is described. Absorbance in the 290–405 nm range
of 2% and 18% NaOH extract from unbleached pulps obtained by conventional and extended kraft
delignification of black alder wood is compared. The effect of cooking conditions on the localisation and
accessibility of chromophores is elucidated. The alkali-soluble lignin from pulp produced by extended
cooking was less oxidised, less conjugated, and less coloured as compared with the conventional kraft
lignin. A chromophore accessibility index is proposed. The chromogenic structures in pulps obtained by
extended cooking were more resistant to alkali solutions than those in conventional kraft pulps.
Addition of Boron Based Compound in the LVL Glueline: Effect on the Mechanical Properties and the Leaching of Boron
Authors: Bridaux V. , Charrier B. , Fauroux N. , Charrier F. , Goncalez J.
Published: October 2004

This study aims at the optimization of the durability of Laminated Veneer Lumber (LVL) panels by
adding borates to the gluing formulation. Poplar veneers measuring 2.6 mm thickness were used for the
manufacture of LVL by Isoroy, a French company located in Lisieux. The melamine-urea-formaldehyde
(M.U.F.) glue formulations were mixed with various concentrations of boric acid. A 0.8% retention of
boron was measured in the LVL panel after intensive water leaching. The mechanical properties of finished
LVL panels and their bonding strength properties were evaluated. The influence of the glue bonding
on leaching was also evaluated. The amount of boron in LVL was measured by spectrocolorimetry
using the CIELAB system. Results demonstrated that the incorporation of boron in the glueline may
improve LVL durability.
Characterisation of a Soft Rot-Like Decay Pattern Caused by Coniophora puteana (Schum.) Karst. in Sapelli Wood (Entandrophragma cylindricum Sprague)
Authors: Kleist G. , Schmitt U.
Published: October 2004

The decay patterns of brown and soft rot fungi in Sapelli wood (Entandrophragma cylindricum Sprague),
with respect to natural durability, were examined by light and transmission electron microscopy as well
as UV spectroscopy. Analyses revealed that the typical brown rot fungus Coniophora puteana can cause
a soft rot-like decay in the sapwood of Sapelli at high moisture contents of approx. 100%. In accordance
with the decay pattern of the typical soft rot fungus Chaetomium globosum, the hyphae of C. puteana
penetrated the S2 wall of fibres and formed characteristic rhomboidal cavities orientated parallel to the
microfibrillar angle. However, these cavities were larger in diameter (3.9 μm ± 0.9) than those formed
by C. globosum (2.1 μm ± 0.5) and with a distinct interspace between the hyphae and surrounding walls.
Hyphae of C. globosum were directly attached to the undecayed secondary wall. No lignin degradation
for both fungi in close vicinity to the cavities was observed, as evidenced by UV spectroscopy. The inclusion
of microscopy for definitive decay type identification is recommended.
Transformation of Chlorophenols by White-Rot Fungi and their Laccase
Authors: Cho N.-S. , Nam J.-H. , Park J.-M. , Koo C.-D. , Lee S.-S. , Pashenova N. , Ohga S. , Leonowicz A.
Published: October 2004

The effects of pentachlorophenol (PCP) and 2-chlorophenol (2CP) on white rot fungi,Abortiporus biennis, Cerrena unicolor, Gloeophyllum odoratum, andTrametes versicolorwere investigated. With the exception ofC. unicolorandA. biennis, concentrations of PCP higher than 50 ppm inhibited fungal growth completely. However, extreme concentrations of PCP (500 ppm) caused a 61% increase in growth ofC. unicolorcompared to the control culture within 14 days. When initial PCP concentrations were 50 ppmA. biennisandC. unicolorachieved, respectively, 87% and 78% of chlorophenol transformation within 3 days. However, when 2,5-dimethylaniline (0.2mM) was added to theC. unicolorculture, 98% of PCP transformation was achieved after one hour. Under the same conditions,A. biennistransformed 44% of PCP. Both chlorophenols are completely removed, when laccase activity reaches its maximum. In conclusion, among the four fungi investigated,C. unicolorandA. Bienniswere very effective in transforming PCP and 2-CP. This biotransformation was greatly intensified by 2,5-dimethylaniline and accompanied by an increase in laccase activity.
Fixation of Amine Copper Preservatives. Part 1. Reaction of Vanillin, a Lignin Model Compound with Monoethanolamine Copper Sulphate Solution
Authors: Ruddick J.N.R. , Xie C. , Herring F.G.
Published: October 2004

The fixation reaction of copper-ethanolamine preservatives in wood was studied using the reaction
between vanillin, a lignin model compound, and ethanolamine-copper sulphate solution. The green
compound precipitated after the reaction has been characterized spectroscopically as di(ethanolamine)-bis (vanillinato)dicopper(II); [Cu(vanillin) (ethanolamine)]2. Single crystal X-ray crystallographic studies
showed that the crystals of [Cu(vanillin)(ethanolamine)]2 are triclinic with the space group P1
with a = 9.1271(7), b = 10.8723(9), c = 6.360(1) Å, α = 97.08(1), β = 100.63(1), and γ = 110.024(7)°.
Z = 1. The binuclear molecule has crystallographic inversion symmetry. The ligand arrangement around
the Cu(II) is a distorted square based pyramid, with a base plane made up of two oxygen atoms from the
ethanolamine ligands, one oxygen atom from a hydroxyl group in vanillin and one nitrogen atom from
ethanolamine. Two Cu-O [1.916(2) and 1.950(5) Å], one Cu-O (hydroxyl) [1.926(4) Å] and one Cu-N
[1.999(3) Å] bonds form a plane with Cu-O (methoxyl) [2.303(2) Å] bond in an axial direction at an
angle 77 ° to the plane. The result suggests that after treatment with copper-ethanolamine wood preservatives,
stable copper-nitrogen-lignin complexes can be formed through reaction with guaiacyl units in
lignin.
Influence of Moisture Sorption on Swelling of Mahogany (Swietenia macrophylla King) Wood
Authors: Arévalo R. , Hernández R.E.
Published: October 2004

Samples of mahogany wood (Swietenia macrophylla King) from Peru were used for moisture sorption
tests associated with swelling tests at 25°C. Seven adsorption and five desorption moisture conditions
were investigated to study the differences in swelling between adsorption and desorption curves at a
given equilibrium moisture content. The results demonstrated that dimensional changes in the tangential
direction and in volume were greater for desorption than for adsorption. The presence of these second
order effects of moisture sorption in mahogany wood were not detected in the radial direction. Finally,
the tangential/radial swelling ratio of this wood was lower in both states of sorption, and was lower in
adsorption than in the desorption state.
Silica in Several Rattan Species
Authors: Abasolo W.P. , Yoshida M. , Yamamoto H. , Okuyama T.
Published: October 2004

The overall silica content in 10 rattan species was analyzed. Its distribution within the stem of Calamus
merrillii Becc. was also tested. Anatomical observations were performed to explain the silica content
variation. Ash and silica content varied among species. Regardless of diameter class, silica accounts for
44% to 48% of the overall ash content of the stem. Silica in the medium and small diameter stem was
twice as much as in the large diameter stem. Within Calamus merrillii Becc., silica was abundant in the
epidermal layer. It was responsible for 74% to 85% of the total silica content of the stem, which explains
the variation in silica content between diameter classes. The proportion of epidermal layer contained in
the sample deviated among the species causing a variation in silica content. Epidermal silica did not vary
along the length of the stem while silica in the stem itself varied significantly from base to top. Differences
in silica body frequency per vascular bundle caused such deviation.
Changes in the Properties of Light-Irradiated Wood with Heat Treatment. Part 1. Effect of Treatment Conditions on the Change in Color
Authors: Mitsui K. , Takada H. , Sugiyama M. , Hasegawa R.
Published: October 2004

The effect of heat treatment on changing the color of light-irradiated wood was investigated. The change
in the lightness, ∆L*, of light-irradiated wood with heat treatment was much greater than that of unirradiated
wood. The chroma coordinates, ∆a*, of irradiated wood increased with treatment temperature and
time. ∆b* decreased after showing a sharp increase with a short period of heat treatment. It is thought
that the changes are related to a change in the chemical composition which was accelerated by heat. With
low temperature treatment, the color of irradiated wood changed remarkably with high relative humidity.
Little change in color was observed with low relative humidity. Therefore, heat and the presence of
water accelerated the change in the color of irradiated wood. This treatment is available as a new coloring
method.
Evaluating Strength Properties of Pinus radiata from Ultrasonic Measurements on Increment Cores
Authors: Yang J.-L. , Fortin Y.
Published: October 2004

Static bending tests were conducted on seasoned plantation-grown Pinus radiata D. Don specimens.
After the tests, core specimens of two different sizes (ø 10 × 30 mm and ø 10 × 20 mm) and small clear
specimens of 20 × 20 × 60 mm were taken from intact zones of the post-test specimens. Ultrasonic
measurements were made on the core specimens and the apparent longitudinal dynamic modulus of elasticity
(ELD) calculated. The small clear specimens were subjected to parallel-to-grain compression tests.
The coefficient of determination was 0.85 between the static bending modulus of elasticity and ELD, 0.62
between the modulus of rupture and ELD, and 0.56 between the maximum crushing strength and ELD.
Delignification Mechanism during High-Boiling Solvent Pulping. Part 1. Reaction of Guaiacylglycerol-β-Guaiacyl Ether
Authors: Kishimoto T. , Sano Y.
Published: October 2004

A phenolic β-O-4 type lignin model compound, guaiacylglycerol-β-guaiacyl ether (1) was treated with
70 wt% aq 1,3-butanediol solution at 160–200°C to investigate the delignification mechanism under
HBS (high-boiling solvent) pulping conditions. The following compounds were identified from the reaction
products by use of GC-MS: guaiacol (2), coniferyl alcohol (3), γ-etherified coniferyl alcohols (4)
and α-etherified guaiacylglycerol-β-guaiacyl ethers (5), but acidolysis products, such as Hibbert's
ketones were not detected. These results strongly suggest that the phenolic β-O-4 linkage was cleaved
homolytically under HBS pulping conditions. The cleavage of β-ether exhibited a pseudo first-order rate
behavior. The pseudo first-order rate constants were as follows: k = 0.94 × 10−2 min−1 at 160 °C;
k = 1.97 × 10−2 min−1 at 170°C; k = 3.22 × 10−2 min−1 at 180 °C; k = 9.76 x 10−2 min−1 at 200 °C.
The activation energy was 98.3 kJmol−1. The formation of higher molecular weight compounds was confirmed
by GPC. It is highly probable that the oligomeric products were derived from the recombination
of phenoxy radicals formed by homolysis of the β-aryl ether.
Liquefaction Mechanism of β-O-4 Lignin Model Compound in the Presence of Phenol under Acid Catalysis. Part 1. Identification of the Reaction Products
Authors: Lin L. , Yao Y. , Shiraishi N.
Published: October 2004

Guaiacylglycerol-β-guaiacyl ether (GG) was used as a lignin model compound to study the liquefaction
reaction mechanism of lignin in the presence of phenol under the catalysis of several typical acids such
as sulfuric, phosphoric and oxalic acids. The reaction products were isolated by silicagel column chromatography
and high performance liquid chromatography (HPLC). The structures of the obtained compounds
were identified by means of GC-MS, 1H-NMR, 13C-NMR, 1H-1H COSY, HMBC and HMQC.
As a result, about 30 compounds were obtained as the main reaction products. It was found that their
structural characteristics were significantly different from those yielded at the non-catalyzed liquefaction
(Lin et al. 1997a), and independent on the acid species. The dominant products were guaiacylglycerol-α-phenyl-β-guaiacyl ethers, followed by guaiacol, triphenylethanes, diphenylmethanes, benzocyclobutanes
and phenylcoumarans. The structural characteristics and yields of these main reaction products
indicated that condensation between phenol and GG in its C-α and further cleavages in both the
β-O-4 linkage and Cβ–Cγ bonding could be the dominant reaction pathways.
Liquefaction Mechanism of β-O-4 Lignin Model Compound in the Presence of Phenol under Acid Catalysis. Part 2. Reaction Behaviour and Pathways
Authors: Lin L. , Nakagame S. , Yao Y. , Shiraishi M. Yoshioka and N. , Shiraishi N.
Published: October 2004

By means of high performance liquid chromatography (HPLC) and gel permeation chromatography
(GPC), the yields of the main reaction products and the polymeric portion formed in the reaction of guaiacylglycerol-β-guaiacyl ether (GG) under various acid-catalyzed conditions were quantified as a function
of reaction time. Based on their forming sequence and reaction behavior, as well as their structural
characteristics, an acid-catalyzed reaction mechanism of GG with phenol was proposed.
Study of Residual Lignin in Pulp by UV Resonance Raman Spectroscopy
Authors: Halttunen M. , Vyörykkä J. , Hortling B. , Tamminen T. , Batchelder D. , Zimmermann A. , Vuorinen T.
Published: October 2004

A major problem in the development of new bleaching technologies for pulp is the difficulty of analysing
the changes induced by bleaching chemicals in the structures of residual lignin. Separation and isolation
of the residual lignin before the analysis may modify the constituents of interest, whereas if the pulp is
analysed directly, the responses from cellulose and hemicelluloses will overlap the signal from the residual
lignin. In this study, UV resonance Raman spectroscopy, a powerful technique for detecting trace
components in complex mixtures, was applied to detect the changes in the residual lignin content after
bleaching stages. The resonance Raman technique was found to be highly sensitive and selective for
lignin structures allowing the detection of trace amounts of lignin after the final bleaching stages. Furthermore,
it enabled rapid and easy determination of hexenuronic acid content. UV resonance Raman
spectroscopy would appear to be a technique of great potential for pulping and bleaching research.
The Importance of Xylan for the Strength Properties of Spruce Kraft Pulp Fibres
Authors: Schönberg C. , Oksanen T. , Suurnäkki A. , Kettunen H. , Buchert J.
Published: October 2004

In this work the role of xylan in spruce kraft pulp fibres was investigated by selectively removing the
pulp fibre xylan and also by sorbing xylan onto the pulp fibres. The effects of xylan removal and sorption
on fibre properties were measured and the chemical composition of the fibres and also that of the
selectively removed xylans was analyzed. According to the results the xylanase could act on both sorbed
and native xylan located on accessible fibre surfaces.

Xylan was found to affect the strength properties of handsheets. The location and the charge of xylan
had a considerable impact on the formation of interfibre bonds. Scott Bond-values correlated with the
amount of surface xylan on fibre surfaces, whereas tensile strength was affected by the total amount of
xylan and particularly by the total charge of the fibres. The fracture energy was determined by the combined
effect of interfibre bonding ability and effective fibre length.
Eucalyptus globulus Kraft Pulp Residual Lignin. Part 2. Modification of Residual Lignin Structure in Oxygen Bleaching
Authors: Duarte A.P. , Robert D. , Lachenal D.
Published: October 2004

Residual lignins were isolated from unbleached and oxygen-bleached Eucalyptus kraft pulps by acid
hydrolysis. The structural changes and degradation of residual lignin occurring during kraft pulping and
oxygen bleaching were followed and identified by elemental analysis, residual carbohydrate analysis,
molecular mass distribution, as well as qualitative and quantitative solution 13C NMR. The dissolved
lignins in the kraft cooked and oxygen bleached liquors were also studied and compared with the corresponding
residual lignins. Milled wood lignin treated under acid hydrolysis conditions served as a reference
for the structural comparison. The results show that etherified syringyl structures were quite
resistant towards degradation in the oxygen bleaching, causing little depolymerisation in residual lignin
and a small increase in carboxylic acid content, but producing appreciable amounts of saturated aliphatic
methylene groups.
Monitoring Acoustic Emissions from Finger-Joints from Tropical African Hardwoods for Predicting Ultimate Tensile Strength
Authors: Ayarkwa J. , Hirashima Y. , Ando K. , Sasaki Y.
Published: October 2004

The patterns of acoustic emissions generated during tension test of finger-joints from three tropical
African hardwoods, Obeche (Triplochiton scleroxylon), Makore (Tieghemella heckelii) and Moabi (Baillonella
toxisperma) were evaluated to assess their potential usefulness for non-destructively predicting
ultimate tensile strength. The acoustic emission patterns generated were observed to differ depending on
the type of finger profile and the wood species. Regression coefficients from cumulative acoustic emission
count versus applied stress squared functions also varied with the profile and species type. When
ultimate tensile strength was correlated with these regression coefficients, for stresses applied up to 50%
of mean ultimate strength, the logarithmic regression model developed could predict finger-joint strength
accurate to ±12%, ±13% and ±18% for Obeche, Makore and Moabi, respectively. The model was also
sensitive to the type of finger profile used for all three tropical African hardwoods.

The results indicate that this acoustic emission monitoring procedure could be useful for non-destructively
predicting ultimate tensile strength of finger-joints from the three tropical African hardwoods.
Hydrolytic Processes and Condensation Reactions in the Cellulose Solvent System N,N-Dimethylacetamide/Lithium Chloride. Part 1.
Authors: Rosenau T. , Potthast A. , Hofinger A. , Sixta H. , Kosma P.
Published: October 2004

Refluxing of cellulose samples in N,N-dimethylacetamide (DMAc, 1), or in DMAc containing low concentrations
of LiCl, is a common protocol to facilitate dissolution of the cellulose for GPC measurements.
The formation of chromophoric condensation products, whose structures have been elucidated
for the first time, and of secondary chromophores by reaction with carbohydrate structures has been
demonstrated.

DMAc containing traces of water is slowly hydrolyzed to dimethylammonium acetate (2) under
reflux conditions. The reaction is accelerated in the presence of lithium chloride. In contrast, absolute
DMAc produces five different condensation products upon thermal treatment, which were isolated by
non-traditional column chromatography approach. The primary condensation product N,N-dimethylacetoacetamide
(3) is formed as the major component and acts as the precursor to the other chromophore
products, namely dehydroacetic acid and isodehydroacetic acid derivatives. Compound 3 is able to form
furan derivatives by reaction with reducing end groups or carbonyls in carbohydrate structures as demonstrated
by reactions with model compounds. As a consequence, it must be concluded that heating/refluxing
in DMAc or DMAc/LiCl generates a number of potent chromophores from the solvent and, furthermore,
can chemically alter pulp samples by introducing reactive structures.
Viscoelastic Properties of Liquefied Wood/Epoxy Resin and its Bond Strength
Authors: Kobayashi M. , Hatano Y. , Tomita B.
Published: October 2004

A new resin system, in which liquefied wood was reacted with various epoxy compounds, was previously
developed. This paper reports the syntheses of two types of liquefied wood/epoxy resins with the
ratio of liquefied wood to epoxy compounds (L/E ratio) of either 1/0.5 or 1/1. Furthermore, the viscoelastic
properties obtained from the dynamic mechanical measurements of the cured resins and their
adhesive bond properties measured as tensile shear strength are reported. The results from dynamic
mechanical measurements indicated that the resins with a L/E ratio of 1/0.5 could be cured at 90°C,
while the resins with L/E ratio of 1/1 were cured at 150°C. The resins cured with triethylene tetramine
(TETA) at 150°C or 90°C had almost the same level of the normal adhesive shear strength as that of the
commercial epoxy resin. The high level of adhesive shear strength of the resin cured at 150°C was maintained
after the glued specimens were soaked in water at 60°C, while the share strength of the resins
cured at 90°C was reduced by either the water soaking at 60°C or the cyclic boiling test.
Structural changes upon the temperature dependent C2/c → P21/c phase transition in LiMe3+Si2O6 clinopyroxenes, Me = Cr, Ga, Fe, V, Sc and In
Authors: Redhammer Günther J. , Roth Georg
Published: October 2004

Within the Li-clinopyroxene series LiMe3+Si2O6, a temperature induced C2/c → P21/c phase transition has been observed for Me = Cr, Ga, V, and Sc at temperatures of 330(1), 286(1), 205(3) and 234(1) K, respectively. There is no phase transition for the Al3+ and the pure In3+ compound down to 80 K. Within the LiSc1–

x
In
x
Si2O6 solid solution se ries, the transition temperature rapidly decreases with increasing In3+ content and drops below 90 K between x = 0.26 and 0.30. The C → P phase transition is found only in samples with nearly fully extended tetrahedral chains. The phase transition in LiScSi2O6, with its “O-rotated” and distinctly more kinked tetrahedral chains in C2/c (O3—O3—O3 angle = 175.7(1)° at 298 K), exhibits a different character: the decay of the b-type Bragg reflections hkl: h + k ≠ 2n and the structural changes in the vicinity of the phase transition are less rapid. The temperature dependent evolution of the order parameter Q2 (as expressed by the decay of the b-type Bragg reflections) suggests a second order thermodynamic character of the C → P phase transition in the Sc3+ compound, whereas it is close to a tri-critical behaviour in the other ones. The structural changes, taking place at the phase transition and below are similar to those in LiFeSi2O6, i.e. dislinkage and appearance of two differently kinked tetrahedral chains in P21/c, decrease of the coordination number of Li+ from 6 to 5, slight alterations of octahedral bond lengths. The structural changes at the phase transition are of similar magnitude in the Ga, Cr, V and Fe compound. LiScSi2O6 is again exceptional. Different thermal expansion of octahedral and tetrahedral sites and increasing site distortion of the M1 site as a consequence of tetrahedral chain kinking in C2/c are assumed to be factors inducing the C2/c → P21/c phase transition.
X-ray diffraction study of decagonal Al—Co—Ni as a function of composition
Authors: Katrych Sergiy , Steurer Walter
Published: October 2004

The evolution was studied of structural order/disorder phenomena across the wide stability field of the decagonal phase in the system Al—Co—Ni. Full single-crystal X-ray diffraction data sets were collected of 31 samples annealed at 900 °C. Based on reciprocal space reconstructions of the imaging-plate-scanner data, the variation in Bragg as well as in diffuse scattering is discussed in detail. The samples were also characterized metallographically, by powder X-ray diffraction, differential thermal analysis and energy-dispersive X-ray spectroscopy. The (quasi)lattice parameters vary smoothly over the stability range of decagonal Al71.5Co28.5—xNix(8 ≤x≤ 20). A smooth variation is also observed for the diffuse scattering related to the ≈8 Å superstructure. These observations indicate a continuous ordering process at 900 °C from the basic Co-rich phase via the type II and type I superstructures to the basic Ni-rich phase.
The correlation between metal oxidation state and bond valence parameters for M—O bonds (M = V, Fe and Cu). A simple method to search for the metal oxidation-state independent parameter pairs
Authors: Hu Sheng-Zhi , Zhou Zhao-Hui
Published: October 2004

Based on the latest available crystal data and the reported bond valence parameters, the linear correlation between the bond valence parameter R
0 with B = 0.37 Å for M—O bonds (M = V, Fe and Cu) and the metal oxidation state n is shown for the first time. For V—O bonds, a linear equation of R
0 ∼ n is perfectly established as R
0 = 0.0250n + 1.674 (n = 2–5). Similarly, a linear equation for Fe—O bonds is fitted as R
0 = 0.0335n + 1.648 (n = 2–4), as well as R
0 = 0.0855n + 1.482 (n = 1–3) for Cu—O bonds fitted properly. In addition, the linear correlation between R
0 and n within certain range of B values for V—O and Fe—O bonds is also established. Consequently, the oxidation-state independent parameters (R
0, B) of (1.788, 0.32 Å) for V—O bonds and (1.795, 0.30 Å) for Fe—O bonds can be derived from the zero slope of the R
0 ∼ n straight lines. However, a similar parameter pair for Cu—O bonds cannot be found using this unique approach.
Calculated growth form of melilites
Authors: Nicolov Mirela F.
Published: October 2004

The Hartman-Perdok theory was used to explain the relation between crystal structure and crystal morphology for Ca2AlSi2O7. Theoretical growth forms were constructed from the calculated attachment energies E
hkl
a, which are assumed to be directly proportional to the growth rate for F faces. F forms calculated, are {110} {101}, {111}, {021}, {120}, {001}, {100} and {130}. The theoretical growth forms are simulated for different values of the charges (normal and Matsui charges).
Similarities between the clathrasils DOH, DDR, MEP and MTN
Authors: van Koningsveld Henk , Gies Hermann
Published: October 2004

Clathrasils are porous framework silicates with cage-like voids. Structural similarities between the clathrasilsDOH,MTN,MEP, DD3H andDDRhave been analyzed in the context of host/guest interaction and crystallization mechanism. A building unit consisting of 30 T atoms is used as common structural feature to give an alternative description of the well-known layers of [512]-cages. The [512]-layers, or Periodic Building Units (PerBU’s), are constructed from two 12-rings connected through a common 6-ring to form two half cages or a 12-ring double cup. These ‘half-cages’ are essentially the bottom of the large ‘inter-layer’ cages in the clathrasils. The rigorous derivation of all possible framework types and their cages based on these principles shows the richness of the concept and makes possible new strategies for the synthesis. The ‘half-cages’ are also possible candidates for precursors which might exist in solution in close contact with templating guest species initiating the nucleation of the crystals.
Thermal expansion, elastic and thermoelastic properties including crystal structure analyses of K-, Rb- and Cs-nitrilotriacetates
Authors: Haussühl Eiken , Haussühl Siegfried , Tillmanns Ekkehart
Published: October 2004

Single crystals of the title compounds having optical quality and dimensions up to 60 mm have been grown from aqueous solutions. X-ray crystal structure analyses of K2H[N(CH2COO)3] · H2O (I), K2H[N(CH2COO)3] · 2 H2O (II), and Cs2H[N(CH2COO)3] · H2O (III) has been done. Thermal expansion, elastic and thermoelastic properties of the title compounds have been measured employing mechanical and optical dilatometers and ultrasonic resonance techniques, respectively. They possess quite different structural motifs contrary to most other salts having a common anion. An anomalous large molecular volume and a small mean elastic stiffness of K2H[N(CH2COO)3] · 2 H2O is qualitatively interpreted by the small number of Coulomb interactions between the single charged cations and oxygen atoms of the anions. Differences in thermal and elastic properties of corresponding alkali nitrilotriacetates and alkali salts of other large anions are discussed.
Dichloro(cyclohexilidene-1-methylene)(phenyl)Te(IV). Looking for the theoretical treatment
Authors: Vega-Teijido Maurício , Zukerman-Schpector Julio , Ventura Oscar N. , Camillo Robinson L. , Caracelli Ignez , Guadagnin Rafael C. , Braga Antonio L. , Silveira Claudio C.
Published: October 2004

C13H16Cl2Te, M
r = 370.76, P21/a, a = 8.1833(8), b = 8.4163(8), c = 20.787(2) Å, β = 99.52(1)°, Z = 4, R
1 = 0,0275. The primary coordination around the TeIV atom is consistent with a pseudo-trigonal bipyramidal bond configuration with two Cl atoms occupying axial positions while the C atoms and the lone pair of electrons occupy the equatorial positions. The TeIV atom is involved in an intermolecular secondary interaction resulting in the self assembly of zigzag-chains supramolecular array.

In order to determine the theoretical basis set for the Te atom which leads to the best agreement with the experimental data, a large series of geometry optimizations were performed on dichloro dimethyl Te(IV), as a model compound, and the results compared with the mean distances and angles obtained from 45 X-ray structures. The Ahlrichs basis set plus the Hay & Wadt ECP was selected and used for a series of calculations performed on the title compound.
Synthesis, crystal structure and molecular conformation of (±)-1-oxoferruginol and (±)-shonanol
Authors: Mondal Swastik , Mukherjee Monika , Roy Arnab , Mukherjee Debabrata
Published: October 2004

(±)-1-oxoferruginol and (±)-shonanol, two potential intermediates in the synthesis of tricyclic diterpenoid ferruginol, have been prepared and crystal structures of the compounds have been investigated using single-crystal X-ray diffraction data. The methyl groups of the isopropyl moiety in (±)-shonanol are disordered over two positions with occupation factors 0.65(1) and 0.35(1), respectively. Although the chemical structures of two compounds are very similar, a C—C single bond in the terminal six-membered ring of (±)-1-oxoferruginol is replaced by a C=C bond in (±)-shonanol, the quantitative isostructurality index calculations indicate that the structures are not isostructural. Intermolecular O—H…O hydrogen bonds between pairs of molecules in the compounds related by center of inversion lead to characteristic dimers forming R2
2(16) rings. The molecular conformation of (±)-1-oxoferruginol obtained from the semi-empirical quantum mechanical AM1 calculation shows good agreement with the X-ray structures.
Triphenylphosphine adducts of silver di-iso-propyl dithiophosphate
Authors: Huang Yihui , Tiekink Edward R. T.
Published: October 2004

The molecular structure of dimeric {[S2P(OiPr)2](PPh3)}2· 2 CHCl3is built up about a centrosymmetric eight-membered ring that adopts a chair conformation as a result of bidentate bridging dithiophos phate ligands. The silver atom is in a trigonal planar geometry. Relatively close transannular Ag…S interactions are noted which, if considered significant, leads to a tridentate dithiophosphate ligand and a distorted tetrahedral geometry for silver. The presence of two PPh3molecules in the coordination sphere of silver in monomeric Ag[S2P(OiPr)2](PPh3)2· 3 CHCl3as well as a bidentate di thiophosphate ligand gives rise to a tetrahedral geometry. Adducts with lower or greater numbers of PPh3ligands could not be obtained pointing to the inherent stability of the characterised structures.
Electrochemical Lithium Insertion/Extraction in Partially Reduced α-MoO3
Authors: Hashem A. M. , Abbas H. , Abdel-Ghany A. E.
Published: October 2004

This work concerns with synthesis, structural, thermal and electrochemical characterization of molybdenum oxides (stoichiometric MoO3, sub-stoichiometric oxide MoO3−

x
(where x is a small fraction) with layered type structure. XRD investigations of the samples proved that the crystal structure of the layered α-MoO3) has been maintained after the reduction process.

The reduced samples exhibited a drastically improved charge/discharge cycling stability and capacity retention on cycling in 1 M LiClO4/propylene carbonate. At higher cycle numbers (approx. cycle 50) the discharge capacity of the reduced molybdenum oxides stabilizes at a level of approx. 50 mAh g−1, whereas the non-reduced MoO3 has retained only about 45 mAh g−1 after 20 cycles. This significant improvement of the rechargeability may be related to improvement in the electronic conductivity after reduction process.
Spectrophotometric Studies of Reactions of the Aquapentacyanoferrate(II) Ion with Ketones. Kinetics and Mechanism of the Substitution Reaction of the Aquapentacyanoferrate(II) Ion with 1-Benzoylethylpyridinium Chloride
Authors: Lovrić Jasna , Foretić Blaženka , Burger Nicoletta
Published: October 2004

The carbonyl group of compounds of the phenacyl- and benzoylethyl-pyridinium type is recognized as a potential σ donor ligand which can produce complexes with the aquapentacyanoferrate(II) ion. Its reactive form is the ionized one i.e. the enolate ion. A detailed spectrophotometric investigation has been made for the reaction of the aquapentacyanoferrate(II) ion with 1-benzoylethylpyridinium chloride. The equilibrium constant of the produced complex was derived using two literatury available additional types of processing the molar ratio method’s experimental data which were not found to be applied to this type of complexes. The kinetics of this substitution reaction were studied in buffered solutions at pH = 8.0 and I = 0.05 M. The obtained results are consistent with a dissociative mechanism.
Effect of Electrolytes on the Aggregation of Sodium Dodecyl Sulphate: the Interactions of Different Counterions with Formed Micelles
Authors: Jakubowska Anna
Published: October 2004

The aggregation numbers (N) of sodium dodecyl sulphate (SDS) micelles in solutions of different electrolytes have been determined by the fluorescence quenching method. The micropolarity of SDS micelles in the presence of the electrolytes has been obtained from the intensity ratio of the third to the first peak in the fluorescence spectrum of pyrene. The results have been discussed against the experimental data obtained from electrospray ionization mass spectrometry. As far as we know, this method has not been used hitherto for interpretation of micelle–ion interactions. So, the electrostatic interactions of SDS monomers with different cations have been studied by electrospray ionization mass spectrometry (ESI-MS). It has been found that in the presence of both NaCl and NH4ClO4, the ions mainly localised close to the surface of SDS micelles are the sodium ones, while in the presence of KCl or Mg(ClO4)2, the ions mainly accumulating at the surface of SDS micelles and influencing the micelle size are K+ or Mg2+, respectively. Moreover, in the presence of KCl, a large number of the sodium counterions is also present at the micelle surface.
Polyanionic Selenium Fragments and Vibrations in NaMSeNClusters
Authors: Schnell Melanie , Herwig C. , Becker J. A.
Published: October 2004

Density functional calculations on the series of clusters NaMSeNpredict different polyanionic selenium fragments depending on the relative amount of sodium. Calculations for Na2SeNclusters givee.g.horseshoe shaped polyanionic selenium chains that are accompanied by two Na atoms. The geometries obtained for NaMSe6clusters are changing from chains to Se2and Se3units highly dependent on the number of Na atoms. These clusters can be investigated experimentally by adding sodium atoms to selenium clusters in the reaction zone of a dual laser vaporization source and depositing them in a nitrogen matrix where they are investigated by Raman spectroscopy. An intense low frequency band between 165 and 225 cm−1is observed that can be attributed by a simple model of dynamical charge to certain vibrational modes with considerable changes of Na–Se bond lengths. The model spectra allow a quite good description of the low frequency Raman band.
Serine-threonine kinases and transcription factors active in signal transduction are detected at high levels of phosphorylation during mitosis in preimplantation embryos and trophoblast stem cells
Authors: Liu Jian , Puscheck Elizabeth E , Wang Fangfei , Trostinskaia Anna , Barisic Dusan , Maniere Gordon , Wygle Dana , Zhong W , Rings Edmond H H M , Rappolee Daniel A
Published: October 2004

Serine-threonine kinases and transcription factors play important roles in the G1-S phase progression of the cell cycle. Assays that use quantitative fluorescence by immunocytochemical means, or that measure band strength during Western blot analysis, may have confused interpretations if the intention is to measure G1-S phase commitment of a small subpopulation of phosphorylated proteins, when a larger conversion of the same population of proteins can occur during late G2 and M phases. In mouse trophoblast stem cells (TSC), a human placental cell line (HTR), and/or mouse preimplantation embryos, 8/19 serine-threonine and tyrosine kinases, 3/8 transcription factors, and 8/14 phospho substrate and miscellaneous proteins were phosphorylated at higher levels in M phase than in interphase. Most phosphoproteins appeared to associate with the spindle complex during M phase, but one (p38MAPK) associated with the spindle pole and five (Cdx2, MEK1, 2, p27, and RSK1) associated with the DNA. Phosphorylation was detected throughout apparent metaphase, anaphase and telophase for some proteins, or for only one of these segments for others. The phosphorylation was from 2.1- to 6.2-fold higher during M phase compared with interphase. These data suggest that, when planning and interpreting quantitative data and perturbation experiments, consideration must be given to the role of serine-threonine kinases and transcription factors during decision making in M phase as well as in G1-S phase.
Tratamento cirúrgico das hérnias discais foraminais pela microdiscectomia artroscópica
Authors: Machado Filho Pedro Vilela , Chueire Alceu Gomes
Published: October 2004

A hérnia discal lombar foraminal é extremamente incapacitante em relação à sintomatologia clínica. Nos últimos quarenta anos muitas alternativas foram propostas no tratamento dessa patologia. Vinte pacientes com essa síndrome radicular foram operados, via póstero-lateral, pela técnica da microdiscectomia artroscópica. O acompanhamento foi realizado com questionários de auto-avaliação pré-operatória e pós-operatória sendo obedecidos rigorosamente os critérios de inclusão e exclusão para a indicação cirúrgica. A idade média dos pacientes foi de 43 anos, com variação de 23 a 58 anos. Houve predomínio do sexo feminino (13 pacientes e freqüência percentual de 65%) em relação ao masculino (7 pacientes e freqüência percentual de 35%). Todos os pacientes foram operados de hérnia discal lombar foraminal no nível entre as 4ª e 5ª vértebras lombares. Os resultados clínicos apresentaram um percentual de 75% de sucesso. Não ocorreram nesse estudo complicações, tais como: lesão nervosa motora, vascular ou discite bacteriana.
Clinical Pharmacy, Pharmaceutical Care, and the Quality of Drug Therapy
Authors: Hepler Charles D.
Published: October 2004

Background. Because of concerns about patient safety and the quality of health care in America, in particular about drug therapy, pharmacists have unprecedented opportunities to increase their value and significance. When defining clinical pharmacy and pharmaceutical care, pharmacists long ago recognized the need to improve the safety and effectiveness of drug therapy.

Objective. To describe how clinical pharmacy and pharmaceutical care, closely related concepts, can contribute to a strategy for improving the quality of drug therapy.

Design. Commentary and review of selected publications.

Conclusion. Pharmacists can improve the quality of drug therapy by improving the organizational structures through which drug therapy is provided, specifically by creating medications use systems and by regularly evaluating their performance. As envisaged by the Institute of Medicine, these systems must be patient centered, cooperative, and interprofessional. To maximize pharmacists' participation in such systems, pharmaceutical education should include courses in medications use systems as necessary counterparts to courses in pharmacotherapeutics. Clinical functions must be organized around patient need and directed at outcomes. Clinical practice should constitute the mainstream practice of pharmacy rather than an “optional” specialty. Pharmaceutical care describes the original purpose of clinical pharmacy, when it was understood as a professional practice rather than a health science. It describes a way that clinical pharmacy, especially specialists and subspecialists, could coordinate their work more effectively. The concept of clinical pharmacy adds essential clarity about the process component of pharmacists' participation in, and strengthens the academic basis of, pharmaceutical care. The clinical, humanitarian, and economic case for preventing drug‐related morbidity is strong, and pharmacy has much to offer. It is, again, time to work together as a profession to plan our common future.
Bioavailability and Lack of Toxicity of S‐Adenosyl‐l‐Methionine (SAMe) in Humans
Authors: Gören Jessica L. , Stoll Andrew L. , Damico Karen E. , Sarmiento Ingrid A. , Cohen Bruce M.
Published: October 2004

Study Objective. To determine if S‐adenosyl‐l‐methionine (SAMe), a widely used dietary supplement with antidepressant properties, is significantly bioavailable, and whether toxic methylated compounds are produced with oral SAMe administration in humans. Serum homocysteine levels were also measured since alterations in these levels have been theorized in association with SAMe.

Design. Unblinded pharmacokinetic trial.

Subjects. Fifteen healthy volunteers.

Setting. Clinical research unit in a psychiatric hospital.

Intervention. Subjects received oral SAMe for 4 weeks; the dosage was titrated over 5 days to 1600 mg/day. Serum levels of SAMe, toxic methylated compounds (methanol, formaldehyde, and formic acid), and homocysteine were measured at baseline and at weeks 2 and 4. At baseline, a structured clinical interview for axis I disorders (Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition) was completed to assess for any undiagnosed psychiatric disorders. Mood was rated at baseline and at weeks 2 and 4 using the Zung Depression Rating Scale, Young Mania Rating Scale, Montgomery‐Asberg Depression Rating Scale, Clinical Global Impression Scale, and the Global Assessment of Function Scale.

Measurements and Main Results. After oral administration, SAMe levels were significantly elevated. Slight, likely insignificant, elevations in serum formaldehyde levels were detected in three subjects. No subject exhibited elevated homocysteine levels during SAMe treatment. One subject developed a transient mixed manic state with suicidal ideation within 2 weeks of starting SAMe; she recovered fully within 3 days of discontinuing the compound.

Conclusion. Oral dosages of 1600 mg/day of SAMe appear to be significantly bioavailable and nontoxic, at least regarding toxic methylated metabolites and homocysteine. However, the risk of mania in vulnerable individuals remains a serious concern.
Work‐Related Outcomes After a Myocardial Infarction
Authors: McBurney Christopher R. , Eagle Kim A. , Kline‐Rogers Eva M. , Cooper Jeanna V. , Smith Dean E. , Erickson Steven R.
Published: October 2004

Study Objective. To evaluate work‐related outcomes of patients at 7 months after a myocardial infarction and to identify patient, disease, and intervention characteristics associated with these outcomes.

Design. Cross‐sectional survey analysis.

Setting. Large Midwestern academic health system.

Patients. Eighty‐nine patients with the discharge diagnosis of acute myocardial infarction during a 1‐year index period.

Intervention. Work performance questionnaire administered by telephone, and medical record review.

Measurements and Main Results. Seven months after discharge, 232 patients were interviewed by telephone to determine work status before and after myocardial infarction, work‐related outcomes (absenteeism and perceived work performance, assessed by the Work Performance Scale [WPS] of the Functional Status Questionnaire), and health‐related quality of life. Univariate analyses were used to determine the association between individual characteristics and work‐related outcomes. Of the 89 patients who had worked before the index myocardial infarction, 21 (23.6%) did not return to work. Variables associated with the outcome of not returning to work were past myocardial infarction (before the index myocardial infarction), coronary artery bypass graft surgery, heart failure, positive stress test, and low score on the Physical Component Summary (PCS‐12) scale of the Short Form‐12. Patients who did not return to work also tended to have more comorbidities and take more prescribed drugs than those who returned to work. Median WPS scores were higher for patients who had higher ejection fractions at discharge, had not experienced a myocardial infarction before the index event, underwent a percutaneous revascularization intervention at the time of hospitalization, and had not recently been absent from work. Workers reporting absences had lower PCS‐12 scores than their counterparts or reported a rehospitalization before the survey.

Conclusion. Preexisting cardiac disease and poorer physical functioning were consistently related to worse work‐related outcomes. This small study demonstrates the need for a larger, broader study that includes health beliefs, treatment, and other job and patient factors that may influence work‐related outcomes.