bluuebunny/crossref_metadata_2025 huggingface dataset:
Collisionally induced dephasing and rotational energy transfer in the CO2 Fermi dyad ‘red’ Q‐branch 1285 cm−1
Authors: Arakcheev V. G. , Kireev V. V. , Morozov V. B. , Olenin A. N. , Tunkin V. G. , Valeev A. A. , Yakovlev D. V.
Published: July 2007

The present paper is focused on the development of an adequate description of collisionally induced dephasing and rotational energy transfer (RET) in the CO2 Fermi dyad ν1/2ν2. We have made comparative analysis of two approaches to RET simulation for the 2ν2 Q‐branch 1285 cm−1 based on spectral exchange (SE) and rotational relaxation (RR) ideas. A special fitting procedure based on the minimization of an approximation error has been developed for fitting theoretical impulse responses to the experimental ones measured by picosecond time‐domain coherent anti‐Stokes Raman spectroscopy (CARS). A series of experiments on frequency‐domain CARS were carried out in order to improve measurements of the dephasing time T2 and to extend the simulation to the whole gas density range using a uniform set of fitting parameters. Special attention was paid to a detailed analysis of the rotational structure manifestation in the impulse response beating structure. In the case of the ‘red’ Q‐branch, the RR model proved to be more appropriate in comparison with the SE model. It is shown that the rotational structure contribution to the time‐domain signal decay and the cumulative spectral width remains essential and comparable with the collisional dephasing contribution up to the highest gas densities. Copyright © 2007 John Wiley & Sons, Ltd.
Identification of Lepidium meyenii (Walp.) based on spectra and chromatographic characteristics of its principal functional ingredients
Authors: Jin Wenwen , Zhang Yongzhong , Mei Song , Xiong Yue , Yang Qin , Yu Longjiang
Published: July 2007

Lepidium meyenii Walp. (maca), a perennial herbaceous plant with narrow distribution in the Andean region, was cultivated by local residents as early as 1600 BC. It has high nutritional value and multiple medicinal effects. The plant source of maca is now scarce because maca products are becoming increasingly popular in the world as dietary supplements. This means that studies on the identification of maca materials are now urgent. In present work, natural plants with similar appearance or medicinal effects, including maca, radish (Raphanus sativus L.), oriental ginseng (Panax ginseng C. A. Mey.), American ginseng (Panax quinquefolium L.) were investigated. Their alkaloid extracts of the hypogeal parts were analysed by FTIR and TLC. The essential oils (steam distillates) were analysed by GC/MS. Through comparison of the characteristics of their spectra and chromatograms, it was found that the functional ingredient extracts of maca have unique FTIR, TLC and GC/MS behaviours. The secondary amide group (CH2NHCOCH2) and the phenyl structure in FTIR, the multiple spots at different RF values colourised by modified Dragendorff's reagent, and the characteristic peaks produced by the major essential oil components (e.g. phenylacetonitrile, benzaldehyde, 3‐methoxyphenylacetonitrile) in GC/MS are distinct. These behaviours can be applied to the identification of maca or maca products in the market. Copyright © 2007 Society of Chemical Industry
Sucrose biosensor as an alternative tool for sugarcane field samples
Authors: Kennedy John F , Pimentel Maria do Carmo B , Melo Eduardo HM , Lima‐Filho José L
Published: July 2007

The goal of this preliminary study was to produce an alternative tool for measuring the amount of sucrose in samples without pre‐treatment and use it in the sugarcane field or mobile units. The technology developed makes payment for the sugarcane much more reliable to the producer and also can improve the quality control of the final product. A flow injection analysis system for measuring sucrose using invertase (E.C. 3.2.1.26), and glucose oxidase (E.C.1.1.3.4) (GOD) was developed. The biosensor was made using invertase and GOD incorporated into active graphite paste mixed with tetracyanoquinodimethane as mediator. The system was able to measure sucrose from 50 up to 200 mmol L−1 with a response time of 5 min using 400 µL of sample in 100 mmol L−1 phosphate buffer pH 6.5. This sucrose biosensor showed a sensitivity of 174 ± 8.7 nA mg−1 of sucrose, being a robust system to measure high concentrations of sucrose in sugarcane crops and industrial and fermentation processes, without dilution or pre‐treatment of the samples. Interference from organic acids, mainly ascorbic acid (+350 mV versus Ag/AgCl), was reduced in this system using the potential of 100 mV vs. Ag/AgCl. The active electrode was stable during 2 months at 4 °C. Copyright © 2007 Society of Chemical Industry
Proximal composition and in vitro digestibility of starch in lima bean (Phaseolus lunatus) varieties
Authors: Bello‐Pérez Luis A , Sáyago‐Ayerdi Sonia G , Chávez‐Murillo Carolina E , Agama‐Acevedo Edith , Tovar Juscelino
Published: July 2007

BACKGROUND: Beans are rich and inexpensive sources of proteins and carbohydrates around the world, but particularly in developing countries. However, many legume varieties are still underutilized. In this study, physical characteristics of the seeds of three Phaseolus lunatus cultivars were characterized. Also, the chemical composition and starch digestibility in the cooked beans were assessed.

RESULTS: ‘Comba floja’ variety exhibited the highest thousand‐kernel weight whereas the lowest was found in ‘comba violenta’. This agrees with seed dimensions: ‘comba floja’ had the Longest seeds (16.36 mm) and ‘comba violenta’ the shortest ones (13.98 mm). All samples exhibited high protein content, but levels in ‘comba blanca’ variety (216 g kg−1) were lower than the in other two cultivars. Total starch (370–380 g kg−1) and potentially available starch content (330–340 g kg−1) were similar in the three varieties. Resistant starch level in the cooked seeds ranged between 38 and 45 g kg−1. Low enzymatic hydrolysis indices (HI) were recorded (30.2–35%), indicating a low digestion rate for Phaseolus lunatus starch. HI‐based predicted glycemic indices ranged between 34% and 39%, which suggests a ‘slow carbohydrate’ feature for this legume.

CONCLUSION: Phaseolus lunatus beans appear to be a good source of protein and slow‐release carbohydrates with potential benefits for human health. Copyright © 2007 Society of Chemical Industry
Chemical composition and in vitro starch digestibility of pigmented corn tortilla
Authors: Hernández‐Uribe Juan Pablo , Agama‐Acevedo Edith , Islas‐Hernández José Juan , Tovar Juscelino , Bello‐Pérez Luis A
Published: July 2007

BACKGROUND: Tortillas were prepared from two (blue and regular white) maize varieties and compared with regard to chemical composition and in vitro starch digestibility, i.e., available starch (AS), total (RS) and retrograde (RRS) resistant starch contents, amylolysis rate and predicted glycemic index (pGI). The impact of cold storage (4 °C) on digestibility was also investigated.

RESULTS: Despite its higher protein and lipid contents, pigmented tortilla exhibited lower AS content than the white product. AS in both types of tortilla decreased during the first 2 days of storage, and remained stable thereafter. Blue tortilla had lower RS content (21 g kg−1 dry matter basis) than the white tortilla (30 g kg−1 dry matter basis). RS values were slightly higher in 2 day‐stored tortillas than in their fresh counterparts. Although the RRS content in recently made white tortillas was greater than in the colored preparation, stored blue tortillas exhibited double RRS values compared with freshly baked samples. α‐Amylolysis of blue tortilla was slower than in the white sample. Consequently, blue tortilla exhibited a lower pGI value. pGI for the white tortilla decreased upon cold storage, a change that was not be observed for the colored preparation.

CONCLUSION: Starch digestibility characteristics of blue tortilla make it suitable for people with special nutritional or metabolic requirements. Copyright © 2007 Society of Chemical Industry
Effect of formulated zimmu (Allium cepa L. × Allium sativum L.) extract in the management of grain mold of sorghum
Authors: Karthikeyan Muthusamy , Sandosskumar Rajendran , Radhajeyalakshmi Raju , Mathiyazhagan Subramanian , Khabbaz Salah Eddin , Ganesamurthy Kulandaivelu , Selvi Balasubramanian , Velazhahan Rethinasamy
Published: July 2007

BACKGROUND: The in vitro antifungal activity of zimmu (Allium cepa L. × Allium sativum L.) extract against Aspergillus flavus Link., Fusarium moniliforme Sheld, Curvularia lunata (Wakker) Boedijn and Alternaria alternata (Fr.) Keissler, the fungi associated with grain mold of sorghum, was evaluated. An emulsifiable concentrate (EC) formulation of zimmu extract was prepared and its efficacy in controlling grain mold was tested under field conditions.

RESULTS: The leaf extract of zimmu exhibited strong antifungal activity against A. flavus, F. moniliforme, C. lunata and A. alternata and caused in vitro fungal growth inhibition of 73.3%, 71.1%, 70.0% and 74.4%, respectively. Foliar application of zimmu formulation 50 EC at 3 mLL−1 (v/v) concentration 60, 75 and 90 days after sowing significantly reduced the incidence of grain mold and increased the grain weight and grain hardness. A significant reduction in the aflatoxin B1 content in sorghum grains was observed when sorghum plants were sprayed with zimmu formulation 50 EC at 0.3% concentration. Western blot analysis revealed that a thaumatin‐like protein (TLP) a molecular mass of 23 kDa that cross‐reacted with zeamatin antiserum was expressed at higher levels in sorghum grains after treatment with zimmu formulations.

CONCLUSION: The leaf extract of zimmu exhibited antifungal activity against sorghum grain mold fungi. The formulated zimmu extract was significantly effective in reducing the grain mold incidence in sorghum under field conditions. This formulated zimmu extract offers a novel alternative for eco‐friendly management of grain mold of sorghum. Copyright © 2007 Society of Chemical Industry
Covalent interactions between proteins and oxidation products of caffeoylquinic acid (chlorogenic acid)
Authors: Prigent Stéphanie VE , Voragen Alfons GJ , Visser Antonie JWG , van Koningsveld Gerrit A , Gruppen Harry
Published: July 2007

BACKGROUND: The interactions between phenolic compounds and proteins can modify protein properties important in the food industry. To understand the effects of these interactions, the covalent interactions between caffeoylquinic acid (chlorogenic acid, CQA) oxidised by polyphenol oxidase (PPO) at acidic pH 6 (pH 6) and α‐lactalbumin, lysozyme and bovine serum albumin (BSA) were compared with non‐enzymatically induced covalent interactions at alkaline pH (pH 9). The effects of these modifications on protein properties were examined.

RESULTS: Both ways of modification seemed to result in protein modification mainly via dimeric rather than monomeric CQA quinones. These modifications led to a decrease in the number of free primary amino groups of the proteins. Modification with CQA alone induced a low degree of protein dimerisation, which also occurred through the action of PPO alone. Modification drastically reduced the solubility of lysozyme over a broad pH range, whereas that of α‐lactalbumin was strongly reduced only at pH values close to its pI. The solubility of BSA was much less affected than that of the other proteins and only at acidic pH.

CONCLUSION: These results indicate some similarities between modifications at pH 6 and 9 and that both modifications clearly change the functional properties of globular proteins. Copyright © 2007 Society of Chemical Industry
Chemical composition and in vitro starch digestibility of corn tortillas with added amaranth flour
Authors: Islas‐Hernández José Juan , Rendón‐Villalobos J Rodolfo , Agama‐Acevedo Edith , Tovar Juscelino , Bello‐Pérez Luis A
Published: July 2007

Background: Corn tortillas containing 20% (w/w) amaranth flour (AF) were kept in cold storage and analysed after various times for chemical composition and in vitro starch digestibility, including predicted glycemic index. Comparison was made with traditional nixtamalised corn flour (NCF) tortillas.

Results: Lipid and protein contents were higher in mixed NCF/AF tortilla than in NCF tortilla. Available starch (AS) content was lower in NCF/AF tortilla and decreased during cold storage. However, this decrease was greater in NCF tortilla, suggesting slower starch retrogradation in NCF/AF tortilla. After 96 h of storage, total resistant starch (RS) content was higher in NCF tortilla than in NCF/AF tortilla. However, no differences were detected thereafter, indicating similar retrogradation after long storage times. Retrograded resistant starch contents indicated that only part of the total RS in tortilla is due to retrogradation, which agrees with the tendency recorded for AS and RS in both types of tortilla. α‐Amylolysis rates were similar in NCF/AF and NCF tortillas, decreasing with storage. The predicted glycemic index was always higher in NCF/AF tortilla, a pattern that might be due to the waxy‐type starch present in AF.

Conclusion: NCF/AF tortilla might be suitable as a product with higher protein content and higher glycemic index than conventional NCF tortilla. Copyright © 2007 Society of Chemical Industry
Boysenberry and blackcurrant drinks increased the plasma antioxidant capacity in an elderly population but had little effect on other markers of oxidative stress
Authors: McGhie Tony K , Walton Michaela C , Barnett Laura E , Vather Rosheila , Martin Harry , Au Joyce , Alspach Peter A , Booth Christine L , Kruger Marlena C
Published: July 2007

BACKGROUND: The consumption of fruit and vegetables promotes good health by protecting against various degenerative diseases. Even though the constituents responsible are not known, some evidence indicates that the antioxidant properties of fruit and vegetable phytochemicals are responsible. Previous studies have shown that blackcurrant and Boysenberry reduce oxidative stress using in vitro cell systems. The aim of this study was to determine if blackcurrant or Boysenberry drinks could improve measures of oxidative stress and inflammation in an elderly population with below‐average memory abilities. The intervention parallel study was fully blinded with a placebo control.

RESULTS: Of the six measures of oxidative stress assessed, only plasma antioxidant capacity significantly increased for both the Boysenberry and blackcurrant treatments compared with the placebo. Plasma malondialdehyde decreased in both the Boysenberry and blackcurrant treatments although the decrease was not statistically significant. Measures of oxidative stress for protein oxidation and lipid peroxidation improved for the berryfruit treatments during the study but were not statistically different from the placebo.

CONCLUSION: Long‐term consumption of both the Boysenberry and blackcurrant drinks raised the plasma total antioxidant capacity of the study participants suggesting that Boysenberry and blackcurrant may help protect against oxidative stress‐related health conditions. Copyright © 2007 Society of Chemical Industry
Preparation and Properties of Novel Hydrogels from Oxidized Konjac Glucomannan Cross‐Linked Chitosan for in vitro Drug Delivery
Authors: Yu Huiqun , Lu Jun , Xiao Chaobo
Published: July 2007

In this paper, a novel composite hydrogel was prepared by the use of dialdehyde konjac glucomannan (DAK) as macromolecular cross‐linking agent for chitosan (CS). This biocompatible material cross‐links and gels in minutes. The structure and morphology were characterized by various analyses. The results indicate that the hydrogels formed through the Schiff‐base reaction between the amino groups of CS chains and the aldehyde groups of DAK. The cross‐link density (ρx) increases with the enhancement of DAK content in hydrogels, while equilibrium swelling ratio (SR) and the average molecular weight between cross‐links ($\overline M _{\rm c}$) value decrease. Drug release was evaluated by varying the pH of the release medium, reversed dependence of release rate on the equilibrium SR of hydrogel indicated that drug release may be impeded by the association of drug with the polymer. Importantly, this process offers an entirely new window of materials preparation when compared with the traditional preparation of CS‐based hydrogels with small molecules cross‐linking agent.

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Synthesis of Degradable Functional Poly(ethylene glycol) Analogs as Versatile Drug Delivery Carriers
Authors: Wang Na , Dong Anjie , Tang Huadong , Van Kirk Edward A. , Johnson Patrick A. , Murdoch William J. , Radosz Maciej , Shen Youqing
Published: July 2007

Poly(ethylene glycol) (PEG) is widely used as a water soluble carrier for polymer‐drug conjugates. Herein, we report degradable linear PEG analogs (DPEGs) carrying multifunctional groups. The DPEGs were synthesized by a Michael addition based condensation polymerization of dithiols and PEG diacrylates (PEGDA) or dimethacrylates (PEGDMA). They were stable at pH 7.4 but quickly degraded at pH 6.0 and 5.0. Thus, DPEGs could be used as drug carriers without concern for their retention in the body. DPEGs could be made to carry such functional groups as terminal thiol or (meth)acrylate and pendant hydroxyl groups. The functional groups were used for conjugation of drugs and targeting groups. This new type of PEG analog will be useful for drug delivery and the PEGylation of biomolecules and colloidal particles.

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“This is who i am”: Identity expressiveness and the theory of planned behavior
Authors: Thorbjørnsen Helge , Pedersen Per E. , Nysveen Herbjørn
Published: July 2007

This paper explores the role of self‐identity expressiveness and social identity expressiveness in the context of Multimedia Messaging (MMS) adoption. An extended version of the Theory of Planned Behavior (TPB) including a wider array of identity and social influences is developed and tested. As hypothesized, self‐identity expressiveness and social identity expressiveness prove to be significant determinants of intentions to use. Moreover, the extended TPB model explains 62% of the variance in usage intentions. The paper also investigates the relationship between self identity expressiveness and attitude and between social identity expressiveness and subjective norm. The study results indicate that the concept of subjective norm alone is insufficient to capture the rich universe of identity and social influences driving behavioral intentions. Implications for marketing managers and scholars are discussed. © 2007 Wiley Periodicals, Inc.
A Facet metatheoretical approach to advance consumer behavior knowledge
Authors: Hornik Jacob , Cohen Erik H. , Amar Reuven
Published: July 2007

This paper provides an overview of Facet Theory, a systematic approach to facilitate theory construction, research design, and data analysis for complex studies. Facet Theory is appropriate to marketing theories and particularly consumer behavior. In Facet Theory, the definition of the behavioral domain facilitates the rationale for hypothesizing structural relationships among variables employed in a research study. Examples are shown from various areas to illustrate the methods and results of structural analysis using Facet Theory data analysis techniques such as Smallest Space Analysis (SSA), Discrimination Coefficient (DISCO), and Partial Order Scalogram Analysis (POSA). The use of Facet Theory and conceptual tools like the “mapping sentence” and “universe of content,” is shown to provide new insights into existing consumer data. It allows for the diagnosis and discrimination of consumers' behavioral traits and makes the generalization and replication of findings easier. © 2007 Wiley Periodicals, Inc.
An exploratory study of gambling motivations and their impact on the purchase frequencies of various gambling products
Authors: Lam Desmond
Published: July 2007

The global gambling industry is huge and gambling has become a leading leisure activity in many countries. Although research on gambling is extensive, many gaps remain. The objective of this exploratory study was to examine how motivations for regular gambling varied by the forms of game played. Using data collected by the U.S. National Gambling Impact Study Commission, the study found that regular gamblers were motivated to gamble to win and to fulfill their sense of excitement/challenge for some gambling products like lottery, racetrack betting, and casinos. For others, such as bingo and card room games, they were motivated to gamble more for social reasons. The findings have important implications to marketers and public policy makers. © 2007 Wiley Periodicals, Inc.
Uncharged Water‐Soluble Metal‐Bis‐Porphyrins Like Molecular Tweezers for Amino Acids
Authors: Scamporrino Emilio , Mineo Placido , Dattilo Sandro , Vitalini Daniele , Spina Emanuela
Published: July 2007

Some new water‐soluble bis‐porphyrins, constituted of two porphyrin units spaced by means of aliphatic bridges of different lengths, were synthesized and characterized by MALDI‐TOF mass spectrometry, 1H NMR and UV‐vis spectroscopy. The hydrosolubility of these uncharged compounds was guaranteed from the presence of six long PEG chains bound on the peripheral positions of the two porphyrins. Cobalt and zinc derivatives were also prepared. In the case of Co‐bis‐porphyrin, the appearance of induced circular dichroism (ICD) signals in water solution confirmed the formation of stable complexes with some amino acids, in which the bis‐porphyrin behaves like molecular tweezers.

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Symmetries of first‐order stochastic ordinary differential equations revisited
Authors: Fredericks E. , Mahomed F. M.
Published: July 2007

Symmetries of stochastic ordinary differential equations (SODEs) are analysed. This work focuses on maintaining the properties of the Weiner processes after the application of infinitesimal transformations. The determining equations (DEs) for first‐order SODEs are derived in an Itô calculus context. These DEs are non‐stochastic. This article reconciles earlier works in this area. Copyright © 2007 John Wiley & Sons, Ltd.
New furostanol saponins from Allium ascalonicum L.
Authors: Kang Li‐Ping , Liu Zhi‐Jun , Zhang Lei , Tan Da‐Wei , Zhao Yang , Zhao Yu , Chen He‐Bing , Ma Bai‐Ping
Published: July 2007

An analysis of the polar extracts from Allium ascalonicum L. led to the isolation of two new furostanol saponins (compound 1 and 2) and two known furostanol saponins (compound 3 and 4). On the basis of 1D and 2D NMR (including 1H, 13C NMR, 1H1H COSY, HSQC, TOCSY, HMBC, and NOESY), FAB‐MS spectrometry, and chemical methods, their structures were elucidated as (25R)‐26‐O‐β‐D‐glucopyranosyl‐22‐hydroxy‐5α‐furost‐2‐one‐3β, 5, 6β, 26‐tetraol‐3‐O‐α‐L‐rhamnopyranosyl‐(1→2)‐β‐D‐glucopyranoside (ascalonicoside C, 1), (25R)‐26‐O‐β‐D‐glucopyranosyl‐22‐methoxy‐5α‐furost‐2‐one‐3β, 5, 6β, 26‐tetraol‐ 3‐O‐α‐L‐rhamnopyranosyl‐(1→2)‐β‐D‐glucopyranoside (ascalonicoside D, 2), (25R)‐26‐O‐β‐D‐glucopyranosyl‐22‐hydroxy‐5‐ene‐furostan‐3β, 26‐diol‐3‐O‐α‐L‐rhamnopyranosyl‐(1→4)‐α‐L‐rhamnopyranosyl‐(1→4)‐[α‐L‐rhamnopyranosyl‐(1→2)]‐β‐D‐glucopyranoside (dichotomin, 3), and (25R)‐26‐O‐β‐D‐glucopyranosyl‐22‐hydroxy‐5‐ene‐furostan‐3β, 26‐diol‐3‐O‐α‐L‐rhamnopyranosyl‐(1→2)‐[α‐L‐arabinofuranosyl‐(1→4)]‐β‐D‐ glucopyranoside (parisaponin I, 4). Copyright © 2007 John Wiley & Sons, Ltd.
Stereochemical study of iminodihydrofurans based on experimental measurements and SOPPA calculations of13C13C spin–spin coupling constants
Authors: Krivdin Leonid B. , Khutsishvili Spartak S. , Shemyakina Olesya A. , Mal'kina Anastasiya G. , Trofimov Boris A. , Contreras Rubén H.
Published: July 2007

Configurational assignment and conformational analysis of a series of iminodihydrofurans obtained from cyanoacetylenic alcohols were performed on the basis of experimental measurements and high‐levelab initiocalculations of their13C13C spin–spin coupling constants. The title compounds were shown to form and exist in solution as the individualZisomers, adopting the orthogonal orientation of the amino, alkylamino and dialkylamino groups and thes‐transorientation of the CONH2group at the C4position of the 2,5‐dihydro‐2‐iminofuran moiety. Copyright © 2007 John Wiley & Sons, Ltd.
Complete 1H and 13C NMR assignments of two new trans‐clerodane diterpenoids from Otostegia limbata
Authors: Farooq Umar , Khan Afsar , Ahmad Viqar Uddin , Azhar‐Ul‐Haq  , Khan Saleha Suleman , Farooq Robina , Pervez Arshid , Shah Mohammad Mahroof
Published: July 2007

Two new tricyclic trans‐clerodane diterpenoids trivially named as ballotenic acid A (1) and ballodiolic acid A (2) have been isolated from ethyl acetate fraction of Otostegia limbata. The structure assignments are based on 1H and 13C NMR spectra, 2D NMR (HMQC, HMBC, COSY, NOESY and NOE) techniques and comparison with the literature data. Copyright © 2007 John Wiley & Sons, Ltd.
Robust design using Bayesian Monte Carlo
Authors: Kumar Apurva , Nair Prasanth B. , Keane Andy J. , Shahpar Shahrokh
Published: July 2007

In this paper, we propose an efficient strategy for robust design based on Bayesian Monte Carlo simulation. Robust design is formulated as a multiobjective problem to allow explicit trade‐off between the mean performance and variability. The proposed method is applied to a compressor blade design in the presence of manufacturing uncertainty. Process capability data are utilized in conjunction with a parametric geometry model for manufacturing uncertainty quantification. High‐fidelity computational fluid dynamics simulations are used to evaluate the aerodynamic performance of the compressor blade. A probabilistic analysis for estimating the effect of manufacturing variations on the aerodynamic performance of the blade is performed and a case for the application of robust design is established. The proposed approach is applied to robust design of compressor blades and a selected design from the final Pareto set is compared with an optimal design obtained by minimizing the nominal performance. The selected robust blade has substantial improvement in robustness against manufacturing variations in comparison with the deterministic optimal blade. Significant savings in computational effort using the proposed method are also illustrated. Copyright © 2007 John Wiley & Sons, Ltd.
A fixed‐grid bidirectional evolutionary structural optimization method and its applications in tunnelling engineering
Authors: Liu Yi , Jin Feng , Li Qing , Zhou Shiwei
Published: July 2007

Topology optimization has exhibited an exceptional capability of improving structural design. However, several typical topology optimization algorithms are finite element (FE) based, where mesh‐dependent zigzag representation of boundaries is barely avoidable in both intermediate and final results. To tackle the problem, this paper proposes a new fixed‐grid‐based bidirectional evolutionary structural optimization method, namely FG BESO. The adoption of an FG FE framework enables a continuous boundary change in the course of topology optimization, which provides a means of dealing with not only the non‐smooth boundary of the final design but also the interpretation of intermediate densities. As a class of important practical application, it is interesting to make use of the new FG BESO method to the reinforcement design for underground tunnels. To accommodate the FG BESO technique to geological engineering applications, a nodal sensitivity is derived for a two‐phase material model comprising the artificial reinforcement and original rock. In this paper, some innovative topological designs of tunnel reinforcements are presented for minimizing the floor and sidewall heaves under different geological loading conditions. Copyright © 2007 John Wiley & Sons, Ltd.
DNA profiling of primary serous ovarian and Fallopian tube carcinomas with array comparative genomic hybridization and multiplex ligation‐dependent probe amplification
Authors: Nowee ME , Snijders AM , Rockx DAP , de Wit RM , Kosma VM , Hämäläinen K , Schouten JP , Verheijen RHM , van Diest PJ , Albertson DG , Dorsman JC
Published: July 2007

Primary serous ovarian carcinoma (OVCA) and serous Fallopian tube carcinoma (FTC), both belonging to the BRCA‐linked tumour spectrum, share many properties and are treated similarly. However, a detailed molecular comparison has been lacking. We hypothesized that comparative genomic studies of serous OVCAs and FTCs should point to gene regions critically involved in their tumorigenesis. Array comparative genomic hybridization (array CGH) analysis indicated that serous OVCAs and serous FTCs displayed common but also more distinctive patterns of recurrent changes. Targeted gene identification using a dedicated multiplex ligation‐dependent probe amplification (MLPA) probe set directly identified EIF2C2 on 8q as a potentially important driver gene. Other previously unappreciated gained/amplified genes included PSMB4 on 1q, MTSS1 on 8q, TEAD4 and TSPAN9 on 12p, and BCAS4 on 20q. SPINT2 and ACTN4 on 19q were predominantly found in FTCs. Gains/amplifications of CCNE1 and MYC, often in conjunction with changes in genes of the AKT pathway, EVI1 and PTK2, seemed to be involved at earlier stages, whereas changes of ERBB2 were associated with advanced stages. The only BRCA1‐mutated FTC shared common denominators with the sporadic tumours. In conclusion, the data suggest that serous OVCAs and FTCs, although related, exhibit differences in genomic profiles. In addition to known pathways, new genes/pathways are likely to be involved, with changes in an miRNA‐associated gene, EIF2C2, as one important new feature. Dedicated MLPA sets constitute potentially important tools for differential diagnosis and may provide footholds for tailored therapy. Copyright © 2007 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Inclusion of menadione with cyclodextrins studied by calorimetry and spectroscopic methods
Authors: Zielenkiewicz Wojciech , Terekhova Irina V. , Koźbiał Małgorzata , Poznanski Jaroslaw , Kumeev Roman S.
Published: July 2007

Complex formation of menadione with α‐, hydroxypropyl α‐, β‐, hydroxypropyl‐β‐, methyl‐β‐ and hydroxypropyl‐γ cyclodextrins in aqueous solution at 298.15 K was studied by using isothermal titration calorimetry, 1H NMR, and UV–vis spectrophotometry. The experimental data indicated the partial insertion of menadione into macrocyclic cavity upon formation of two alternative types of 1:1 inclusion complexes, whose thermodynamic parameters (K, ΔcG0, ΔcH0, and ΔcS0) were calculated. The influence of host size on the complex formation process was analyzed. β‐Cyclodextrin and its hydroxypropylated and methylated derivatives were found more effective binders towards menadione than α‐ and γ‐cyclodextrins. Copyright © 2007 John Wiley & Sons, Ltd.
On the mechanism of the N,N‐dimethyl amination of Grignard reagents: a kinetic study
Authors: Erdik Ender , Ateş Ülhü Selma
Published: July 2007

A direct kinetic study is reported for the electrophilic amination of substituted phenylmagnesium bromides with N,N‐dimethyl O‐(mesitylenesulfonyl)hydroxylamine in THF. Rate data, Hammett relationship, and activation entropy are consistent with a SN2 displacement involving the attack of carbanions to sp3N in the amination reagent (AR). Copyright © 2007 John Wiley & Sons, Ltd.
Third‐generation amphiphilic conetworks. III. Permeabilities and mechanical properties
Authors: Kang Jungmee , Erdodi Gabor , Kennedy Joseph P.
Published: July 2007

While two of our earlier papers on poly(dimethyl acryl amide)/polymethylhydrosiloxane/polydimethylsiloxane (PDMAAm/PMHS/PDMS) amphiphilic conetworks concerned synthesis and biological properties, respectively, the present contribution focuses on oxygen and insulin permeabilities, and select mechanical properties. We show that by increasing the PDMAAm content from 20 to 60% (i.e., by decreasing the hydrophobic content from 80 to 40%), oxygen permeabilities decrease from ∼240 to ∼130 barrers. Evidently, oxygen permeability is a function of the sum of the oxyphilic components, PDMS + PMHS, in the conetworks. In contrast, insulin permeability is a function of the hydrophilic component, and reaches a desirable 1.5 × 10−7 cm2/s at 61% PDMAAm. We also studied the permeabilities of glucose, dextran, and albumin through a PDMAAm61/PMHS6/PDMS33 membrane and found, unsurprisingly, that the permeability of these molecules follows their hydrodynamic radii, and we project that the permeability of IgG is infinitesimally low. Tensile strengths and ultimate elongations of water‐swollen membranes are also a function of conetwork composition: by increasing the PDMAAm content from 30 to 60%, strengths decrease from 1.6 to 1.2 MPa, and elongations from ∼60 to ∼40%. Overall, the permeabilities and the mechanical properties of these membranes are appropriate for implantation and, specifically, for immunoisolation of living tissue. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4276–4283, 2007
Polycyclotrimerization of aromatic diynes: Synthesis, thermal stability, and light‐emitting properties of hyperbranched polyarylenes
Authors: Häußler Matthias , Liu Jianzhao , Lam Jacky Wing Yip , Qin Anjun , Zheng Ronghua , Tang Ben Zhong
Published: July 2007

New aromatic diyne monomers of 1,4‐diethynyl‐2,5‐(dihexyloxy)benzene (1), 1,6‐diethynyl‐2‐(hexyloxy)naphthalene (2), and 9,9‐bis(4‐ethynylphenyl)fluorene (3) are synthesized. Their homopolymerizations and copolymerizations with 1‐octyne (4) or phenylacetylene (5) are effected by TaBr5–Ph4Sn and CpCo(CO)2–hν, giving soluble hyperbranched polyarylenes with high molecular weights (Mw up to ∼ 2.9 × 105) in high yields (up to 99%). The structures and properties of the polymers are characterized and evaluated by IR, NMR, UV, PL, and TGA analysis. The polymers show excellent thermal stability (Td > 400 °C) and carbonize when pyrolyzed at 900 °C. Upon photoexcitation, the polymers emit deep blue light in the vicinity of ∼400 nm with fluorescence quantum yields up to 92%. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4249–4263, 2007
Diversity of insecticide resistance mechanisms and spectrum in European populations of the codling moth, Cydia pomonella
Authors: Reyes Maritza , Franck Pierre , Charmillot Pierre‐Joseph , Ioriatti Claudio , Olivares Jérôme , Pasqualini Edison , Sauphanor Benoît
Published: July 2007

Only a few of the registered insecticides against Cydia pomonella L. are still effective in areas where insecticide resistance has emerged in this pest. Resistance mechanisms are multiple, and their lone or cumulative effects in a single population are not completely understood. A detailed estimation of resistance spectrum is still required to define the suitable insecticides to use against a given population. The efficacy of ten insecticides was therefore investigated together with the resistance mechanisms expressed in four laboratory strains and 47 field populations of C. pomonella from five countries. Bioassays were performed using topical applications of diagnostic concentrations on diapausing larvae, and resistance mechanisms were analysed on adults emerging from control insects. All populations exhibited a reduced susceptibility to at least one insecticide when compared with the susceptible laboratory strain. Cross‐resistances were observed between azinphos‐methyl or phosalone and more recent compounds such as spinosad and thiacloprid. Resistances to azinphos‐methyl, diflubenzuron, spinosad, tebufenozide and thiacloprid were significantly correlated with mixed‐function oxidase activity, while increased glutathione‐S‐transferase and reduced non‐specific esterase activities were correlated with resistance to azinphos‐methyl and emamectin, respectively. Conversely, resistances to azinphos‐methyl, tebufenozide and thiacloprid were negatively correlated with increased esterase activity. None of the observed mechanisms explained the loss of susceptibility of populations to chlorpyrifos‐ethyl, and no significant correlation was detected between resistance to deltamethrin and the presence of the kdr mutation. The suitability of such non‐target instars to monitor insecticide resistance in field populations is discussed. Copyright © 2007 Society of Chemical Industry
Aryl chain analogues of the biotin vitamers as potential herbicides. Part 3
Authors: Ashkenazi Tali , Pinkert Dalia , Nudelman Ayelet , Widberg Ayala , Wexler Barry , Wittenbach Vernon , Flint Dennis , Nudelman Abraham
Published: July 2007

Novel aryl chain isosters and analogues of 7‐keto‐8‐aminopelargonic acid (KAPA) and 7,8‐diaminopelargonic acid (DAPA), the vitamer intermediates involved in the biosynthetic pathway of biotin, possessing chain lengths of eight carbon atoms, were prepared and evaluated as potential herbicides. In the greenhouse test the most active compounds were the fluorinated derivative 9d and the selenophenyl/furan mixture 17m/17p, which were most active against Foxtail millet. In the more sensitive Arabidopsis test the most active substances were 9a and 17m, which displayed GR50 (concentration of active compound causing 50% growth inhibition) values of 0.2 and 0.5 mg kg−1 respectively (values of < 50 mg kg−1 are considered herbicidal). Copyright © 2007 Society of Chemical Industry
Herbicide risk assessment during the Wheat Self‐sufficiency Project in Iran
Authors: Deihimfard Reza , Zand Eskandar , Damghani Abdolmajid Mahdavi , Soufizadeh Saeid
Published: July 2007

BACKGROUND: The present study describes the quantitative changes in herbicide use during the specific observation periods in the Wheat Self‐sufficiency Project in Iran from 1994 to 2004 and the associated changes in herbicide risk, area and yield in this context. A risk index, the environmental impact quotient (EIQ), was used to estimate the environmental impacts (EIs) of herbicides applied to wheat agroecosystems.

RESULTS: The results suggest that, during this period, the overall risk posed by the herbicides applied to wheat agroecosystems increased substantially, as evidenced by a 71% increase in herbicide usage (weight of pesticide applied) and a 62.2% increase in EI rating, in spite of an 8.2% decrease in overall EIQ rating and an 89.2% decrease in mean application rate. Furthermore, a 0.57% increase in the area and a 23.6% and 22.7% increase in irrigated and rainfed yields, respectively, were observed. The results also indicate that the EIQFUR of two herbicides, dichlorprop‐P/mecoprop‐P/MCPA and difenzoquat, is much higher than that of other herbicides, and they could be qualified as high‐risk herbicides.

CONCLUSION: As a whole, an increase in herbicide usage (weight of pesticide applied) was an important factor on herbicide environmental impact boost. However, this increase has not led to a similar increase in wheat yield, which could be attributed in part to the negative impact of high herbicide consumption in wheat fields and subsequent threat to the long‐term sustainability of these agroecosystems. Copyright © 2007 Society of Chemical Industry
White X‐ray beam topography and radiography of Si1–xGex crystals bonded to silicon
Authors: Argunova T. S. , Yi J. M. , Jung J. W. , Je J. H. , Sorokin L. M. , Gutkin M. Yu. , Belyakova E. I. , Kostina L. S. , Zabrodskii A. G. , Abrosimov N. V.
Published: July 2007

The defect structure of Si1–x Gex wafers with 4% of germanium and their interfaces with Si wafers were studied using white radiation topography and phase‐sensitive radiography. The heterostructures were manufactured by direct bonding of Si1–x Gex and Si crystalline wafers made of bulk crystals that were grown by the Czochralski technique. In Si1–x Gex crystals, the segregations of Ge act as dislocation nucleation sites. In Si1–x Gex /Si bonded structures, the segregation of Ge as well as the accumulation of dislocations induce elastic strain and plastic deformation during high‐temperature bonding annealing. With the topography–radiography combination, we are able not only to detect microcracks, indicating nonbonded areas, by radiography, but also to reveal dislocations and long‐range strain fields by topography at the same time. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Spatial resolution in Bragg‐magnified X‐ray images as determined by Fourier analysis
Authors: Modregger Peter , Lübbert Daniel , Schäfer Peter , Köhler Rolf
Published: July 2007

The spatial resolution of an imaging system is most often experimentally determined by using model objects and idealized imaging conditions. This traditional approach does not properly take into account the influence of noise and the dependence of contrast on the object. The latter influence is essential especially in the case of magnified X‐ray images acquired by two fold asymmetric Bragg diffraction. For this phase sensitive technique the application of a criterion for spatial resolution based upon Fourier analysis is shown to provide reliable resolution values in a simple way, overcoming the limitations mentioned above. For the case of Bragg‐magnified imaging of an ant leg with 166 fold magnification (effective pixel size 0.094 µm), the physical resolution achieved in the image is found to be 0.4 µm. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Grazing incidence X‐ray scattering from epitaxial Fe/Au multilayers
Authors: Rozatian A. S. H. , Hase T. P. A. , Tanner B. K. , Ryan P. A. , Dekadjevi D. T. , Hickey B. J.
Published: July 2007

The layer structure of a series of Fe/Au multilayers has been studied by grazing incidence specular and diffuse X‐ray scattering. In particular, the evolution of the layer and interface characteristics has been followed as a function of the number of bilayers grown. Torque magnetometry measurements showed that the easy axis of magnetization of all samples lay in the film plane, the effective anisotropy constant per unit volume remaining constant as the bilayer number increased. These data contrast with previous studies showing that Fe/Au multilayers exhibited perpendicular anisotropy when the Fe layer is thinner than 10 Å. Fitting of model structures to the grazing incidence specular and diffuse X‐ray scattering data showed that the r.m.s. roughness was high, being between 10 and 20 Å for different samples within the series. There was no systematic trend in the amplitude as a function of bilayer repeat number but the in‐plane length scale of the roughness increased with layer thickness. The fractal parameter h fell linearly with bilayer repeat number. We suggest that the high level of roughness results in the in‐plane anisotropy in these layers. A superlattice sample with 100 bilayers displayed a significantly lower roughness of 8 (±0.3) Å and perpendicular anisotropy. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
In situ X‐ray diffraction during MOCVD of III‐nitrides
Authors: Simbrunner C. , Navarro‐Quezada A. , Schmidegg K. , Bonanni A. , Kharchenko A. , Bethke J. , Lischka K. , Sitter H.
Published: July 2007

Nowadays Metal Organic Chemical Vapor Deposition (MOCVD) is the most frequently used fabrication process for growing III–V‐nitrides. The missing ultra high vacuum (UHV) conditions narrow the window of possible in situ characterization techniques to only optical methods like spectroscopic ellipsometry (SE) and X‐ray diffraction. We are able to observe the growing surface simultaneously with a multi wavelength ellipsometer and a X‐ray diffraction (XRD) system mounted on an AIXTRON 200 RF‐S reactor. Properties like crystal quality, composition, superlattice periodicity and strain relaxation of hexagonal GaN/AlGaN heterostructures are determined in situ using XRD. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Structural changes in arsenic ion‐implanted Hg1–xCdxTe epitaxial layers
Authors: Fodchuk I. , Zaplitnyy R. , Kazemirskiy T. , Swiatek Z.
Published: July 2007

Results of X‐ray investigations of Hg1–x Cdx Te (x = 0.25) epitaxial layers after single and two‐stage arsenic ion implantation with the energy E = 100 keV are represented. It has been established that for doses D1 = 2 × 1014 ions/cm2 and D2 = (2 × 1014 + 1015) ions/cm2 the Frenkel pair (anion vacancy + interstitial mercury atom) generation is the most probable process. The model of a possible system of structural defects in the near‐surface layers of ion‐implanted structures Hg1–x Cdx Te is proposed. The model allows for the presence of certain dimensions and concentrations of both growth and new defects – the Frenkel pairs, cluster formations and dislocation loops formed under ion radiation. The calculated deformation profiles are complex in shape with characteristic peaks at the depth of maximum nuclear power ion loss. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Unit cell expansion in Laves phase‐type compounds caused by interstitial hydrogen
Authors: Figiel H. , Osuchowski S. , Paja A.
Published: July 2007

The Laves phase‐type compounds of yttrium and rare earths with manganese (RMn2) easily absorb hydrogen which locates at the interstitial sites. It is well known that the lattice expands with increasing hydrogen concentration and the volume increases up to about 30%. The increase of the unit volume is nonlinear as a function of hydrogen content. To explain this behaviour a model in which the volume changes were correlated with the changes of the bulk modulus with hydrogen concentration was proposed by Hirata and co‐workers. This model describes properly the initial volume increase, but does not reflect the changes at higher concentrations. For the hydrides with R = Y, Gd, Er, Dy, Tb, Ho at x ≈ 3 the volume of AB3 interstitials becomes large enough for hydrogen to enter. According to this observation we extended this model. We show that the calculated volume expansion fits very well to the experimental data for RMn2 (R = Y, Gd, Dy, Tb, Ho). (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Nanomechanical analyses of nanocrystalline Ni using accelerated molecular timesteps
Authors: Tomar V.
Published: July 2007

A majority of nanomechanical deformation simulations of nanostructured components such as nanowires or nanocrystalline materials are regularly carried out using the classical molecular dynamics (MD). Due to the fundamental reason that the MD simulations must resolve atomic level vibrations, the microsecond scale nanomechanical deformation cannot be analyzed using MD with resulting disparity in experimental and nanomechanical simulation results. In this investigation a modified Hybrid Monte Carlo (HMC) method that can be used to analyze time‐dependent atomistic mechanical deformation at higher timescales than currently possible using MD is established. For the purpose of comparison HMC analyses of a nanocrystalline Ni sample at a strain rate of 109 s–1 with three different timesteps, viz. 2 fs, 4 fs, and 8 fs, are compared with the analyses based on MD simulations at the same strain rate and with a MD timestep of 2 fs. It is found that the HMC simulation with a timestep of 8 fs correctly reproduces defect formation and the stress‐strain response observed during MD simulations with an approximate speedup of 4 times in the simulation time. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Structural and optical properties of Cu3SnS4 sprayed thin films
Authors: Bouaziz M. , Ouerfelli J. , Amlouk M. , Belgacem S.
Published: July 2007

This paper reports the successful deposition of Cu3SnS4 thin films using a spray pyrolysis technique. These films were deposited on glass substrates using a solution containing CuCl2 · 2H2O, SnCl2 · 2H2O and SC(NH2)2 as precursors with appropriate chemical compositions of elements ([Sn] = 10–2 M and [Cu]/[Sn] = 2 × 2.2) at a substrate temperature of 360 °C. X‐ray diffraction analysis show that unannealed and annealed Cu3SnS4 thin films under sulphur atmosphere crystallise in the tetragonal structure and the crystallites exhibit preferential (112) orientation of the grains. Optical measurements show that Cu3SnS4 sprayed thin film annealed at 500 °C has a direct band gap of about 1.22 eV. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)