bluuebunny/crossref_metadata_2025 huggingface dataset:
Storage and Sorption Properties of Acetylene in Jungle‐Gym‐Like Open Frameworks
Authors: Tanaka Daisuke , Higuchi Masakazu , Horike Satoshi , Matsuda Ryotaro , Kinoshita Yoshinori , Yanai Nobuhiro , Kitagawa Susumu
Published: July 2008

The acetylene‐sorption properties of six porous coordination polymers (PCPs), [M2(L)2(dabco)]n (dabco=1,4‐diazabicyclo[2.2.2]octane, M=Cu2+ (1), Zn2+ (2), L=1,4‐benzenedicarboxylate (bdc; 1 a, 2 a), 1,4‐naphthalenedicarboxylate (ndc; 1 b, 2 b), 9,10‐anthracenedicarboxylate (adc; 1 c, 2 c)), were investigated. The acetylene sorption isotherms of 1 and 2 measured at 195 K are of type I and show a steep increase at low relative pressures. The sorption properties of carbon dioxide at 195 K were also investigated. Compounds 1 and 2 showed a large difference in onset pressure between acetylene sorption isotherms, although the difference between the carbon dioxide sorption isotherms is not so significant. In particular, 2 c displayed a remarkable affinity for acetylene. The acetylene sorption isotherm at 298 K showed that the adsorption amounts for 2 c and 2 b at 298 K, 1 atm (101 and 106 mL g−1, respectively) were higher than those of other conventional porous materials. Notably, of the compounds 1 and 2, the porous crystals 2 c had the highest affinity for acetylene.
Investigation on different levels of in vitro–in vivo correlation: gemfibrozil immediate release capsule
Authors: Rouini Mohammad‐Reza , Ardakani Yalda H. , Mirfazaelian Ahmad , Hakemi Lida , Baluchestani Mahdi
Published: July 2008

Gemfibrozil is a practically water‐insoluble, high‐dose drug. It represents a typical drug with dissolution rate controlled bioavailability. The aim of this study was to select a dissolution condition for gemfibrozil immediate release capsules, resulting in the best in vitro/in vivo correlation (IVIVC). Five 300 mg gemfibrozil products, including the innovator and four generic products were selected. In vitro dissolution test methods with a standard paddle, round‐bottomed vessel of 1 l capacity, and potassium phosphate buffer as the dissolution medium (referred to as conditions I, II and III, respectively) were developed. The products were administered to 12 healthy volunteers and thereby different pharmacokinetic parameters were calculated. Correlations between the in vitro and in vivo calculated parameters were investigated.

Of the single point parameters investigated, the best results were seen in the relation between the percent dissolved in 10, 20 and 45 min and the time to 90% dissolution from the in vitro side and the AUCs and Cmax from the in vivo side.

The correlation between MRT and MDT was also investigated, and no significant correlation was found in the three above‐mentioned conditions.

The Wagner‐Nelson method was used to calculate the percent remaining to be absorbed. Superimposition of the percent in vivo absorption and the in vitro dissolution curves was used to investigate a multiple point correlation. A remarkable superimposition between in vivo and in vitro curves in conditions I and II was observed. Copyright © 2008 John Wiley & Sons, Ltd.
Emotion as a tradeable quantity
Authors: Reid Aaron A. , González‐Vallejo Claudia
Published: July 2008

Three studies investigate how physiological emotional responses can be combined with symbolic information to predict preferences. The first study used a weighted proportional difference rule to combine explicitly quantified symbolic and emotional information. The proportion of emotion model was more predictive than a simple additive emotional (AE) combination in decisions about selecting dating partners. Study 2 showed that a simple proportion algorithm of emotionally derived weights and a simple AE model predicted preference equally well for decisions between equal expected value (EV) gambles. Study 3 provided additional evidence for decision mechanisms that combine physiological measures within symbolic trade‐off algorithms for choices between diamond rings. Self‐reported emotion measures proved to be better predictors than physiological measures. The results are discussed in the context of other major models of emotional influence on preference and provide a foundation for future research on emotional decision‐making mechanisms. Copyright © 2008 John Wiley & Sons, Ltd.
Recent advances in research relevant to electric and magnetic field exposure guidelines
Authors: Kavet Robert , Bailey William H. , Bracken T. Dan , Patterson Robert M.
Published: July 2008

Limits on exposures to extremely low‐frequency electric fields, magnetic fields and contact currents, designated as voluntary guidelines or standards by several organizations worldwide, are specified so as to minimize the possibility of neural stimulation. The limits, which we refer to as guidelines, derive from “basic restrictions” either on electric fields or current density within tissue, or on avoidance of annoying or startling interactions that may be experienced with spark discharge or contact current. Further, the guidelines specify more conservative permissible doses and exposure levels for the general public than for exposures in controlled environments, which most typically involve occupational settings. In 2001 we published an update on guideline science. This paper covers more recent developments that are relevant to the formulation and implementation of the next generation of guidelines. The paper deals with neurostimulation thresholds and the relevance of magnetophosphenes to setting guideline levels; dosimetry associated with contact current benchmarked against basic restrictions; tissue and cellular dosimetry from spark discharge; assessment of exposures to high electric fields in realistic situations (e.g., line worker in a transmission tower); a simplified approach to magnetic field assessment in non‐uniform magnetic fields; and a quantitative approach to sampling workplace exposure for assessing compliance. Bioelectromagnetics 29:499–526, 2008. © 2008 Wiley‐Liss, Inc.
Lung cancer A549 cells migrate directionally in DC electric fields with polarized and activated EGFRs
Authors: Yan Xiaolong , Han Jing , Zhang Zhipei , Wang Jian , Cheng Qingshu , Gao Kunxiang , Ni Yunfeng , Wang Yunjie
Published: July 2008

Endogenous direct‐current electric fields (dcEFs) occur in vivo in the form of epithelial transcellular potentials or neuronal field potentials. A variety of cells respond to dcEFs by migrating directionally, and this is termed galvanotaxis. The mechanism by which dcEFs direct cell movement, however, is not yet understood, and the effects on lung cancer cells are entirely unknown. We demonstrated that cultured human lung adenocarcinoma A549 cells migrate toward the cathode in applied dcEFs at 3 V/cm. Fluorescence microscopy showed that both epidermal growth factor receptors (EGFRs) and F‐actin are polarized to the cathode. EGFR inhibitors, cetuximab and AG1478, reduced the migration rate and directed motility in dcEFs. Western blots showed that ERK and AKT signaling pathways were prominently promoted by dcEFs. EGFR inhibitors could reduce this promotion but not completely. These data suggest that polarization of EGFRs and the activation of their downstream signals play an important role in the galvanotaxis of A549 cells in dcEFs. Bioelectromagnetics 30:29–35, 2009. © 2008 Wiley‐Liss, Inc.
Weiterentwicklung des Gleitbauverfahrens
Authors: Brockmann Tanja , Kreiner Alexander , Lohaus Ludger , Motzko Christoph
Published: July 2008

In dem vorliegenden Beitrag werden aktuelle Entwicklungen des Gleitbauverfahrens im Zuge der fortschreitenden Entwicklung der Bautechnik und der Werkstoffe vorgestellt, die einen wirtschaftlichen und effizienten Einsatz dieses modernen Bauverfahrens für entsprechende Anwendungen ermöglichen. Angaben zur Planung und Konstruktion, Betontechnologie, zum Bauablauf sowie zur Qualitätssicherung und Arbeitssicherheit bilden die Kernpunkte. Des Weiteren werden praxisrelevante Hinweise und Empfehlungen für die fachgerechte Anwendung des Gleitbauverfahrens gegeben.
Nanotechnologie im Bauwesen
Authors: Brockmann Tanja , Fontana Patrick , Meng Birgit , Müller Urs
Published: July 2008

Zu den Zielen der Nanotechnologie gehört die Entwicklung, Produktion und Anwendung von Materialien und Werkstoffen mit völlig neuartigen Leistungsspektren. Für die Baupraxis und die Materialforschung lassen sich über den Einsatz der Nanotechnologie Ziele wie die Optimierung von Baustoffeigenschaften, Vermeidung von Schäden und neue Funktionalitäten definieren. Der vorliegende Beitrag gibt einen Überblick über mögliche Anwendungsbereiche der Nanotechnologie im Bausektor, wie z. B. zementgebundene Baustoffe, Außen‐ und Dachfassaden, Fenster und Verglasungen, Brandschutz, Inneneinrichtung und Infrastrukturbau. Zudem werden aktuelle Forschungsarbeiten mit nanowissenschaftlichem und nanotechnologischem Schwerpunkt im Bereich baustoffbezogener Materialien der Bundesanstalt für Materialforschung und ‐prüfung (BAM) in Berlin vorgestellt. Die Forschungstätigkeiten beziehen sich zum einen auf die Modifikation der Hydratphasen in Ultra‐Hochleistungsbeton (UHPC) und zum anderen auf die Weiterentwicklung von Anti‐Graffiti‐Systemen.
Bemessung nachträglich ergänzter Betonbauteile mit längsschubbeanspruchter Fuge. Vergleichende Beurteilung aktueller Konzepte für die Baupraxis
Authors: Randl Norbert , Zilch Konrad , Müller Andreas
Published: July 2008

Nachträglich ergänzte Betonbauteile kommen in der Baupraxis häufig vor, sowohl im Fertigteilbau als auch im Zuge der Verstärkung von bestehenden Konstruktionen durch Aufbringen einer neuen Betonschicht. Im Rahmen dieses Beitrags werden die Annahmen und Modellvorstellungen, die verschiedenen aktuellen Ansätzen zur Bemessung der Schubfugen zugrunde liegen, genauer betrachtet. Vor allem der Traganteil, der sich durch den Verbund zwischen Alt‐ und Neubeton ergeben kann, wird unterschiedlich gewichtet. Geht man davon aus, dass z. B. Verunreinigungen auf der Fugenoberfläche zu einem geschwächten Beton‐Beton‐Verbund führen, so ist zur Sicherstellung der Tragsicherheit eine erhöhte Bewehrungsmenge erforderlich. Umgekehrt kann bei einer sorgfältig vorbereiteten Altbetonoberfläche die Bewehrungsmenge reduziert werden. Die Bemessungsansätze in der europäischen Norm EN 1992‐1‐1 (12.2004 + Berichtigung 2008), in den deutschen Normen (DIN 1045‐1 (07.2001 + Berichtigungen 1 + 2); DIN 1045‐1 (Neufassung 2008)) und in den US‐amerikanischen Richtlinien (ACI 318‐02; AASHTO LRFD Specifications) liefern nur in Kombination mit sorgfältig vorbereiteten Fugenoberflächen ausreichend sichere Ergebnisse. Der Ansatz in ÖNORM B 4700 (06.2001) berücksichtigt den Fall eines durch ungünstige Baustellenbedingungen geschwächten Beton‐Beton‐Verbunds (dies gilt teilweise auch für die Regelungen in ACI 318‐02). Die Auswirkungen dieser Annahmen auf die Bemessungsergebnisse werden durch Bemessungsbeispiele veranschaulicht. In abschließenden Bemerkungen wird auf Stärken und Schwächen der Bemessungskonzepte hingewiesen.
Wissenschaft und Musik – Einführende Bemerkungen
Authors: Ash Mitchell G.
Published: July 2008

Science and music. Introductory remarks. The article presents a brief introduction to “Science and Music”, theme of the 44th symposium of the “Society for History of Sciences” held in Munich in Mai 2007. The text begins with a brief reference to the numerous biographical connections between the two fields, but focuses primarily on topics that reveal music and the sciences to be results of shared cultural practices. Examples include: (1) shared objects in the material sense, meaning the use of particular instruments in both music and the sciences; (2) shared semantics, metaphors, and concepts, for example the use of the concepts like clang or tone color in acoustics and the psychology of audition, or talk of ‘mood’ and ‘harmony’ in both music and in literature; (3) direct interactions between mathematics, physics and music, for example in the electronic music of the twentieth century.
Predicting phenotypic effects of gene perturbations in C. elegans using an integrated network model
Authors: Borgwardt Karsten
Published: July 2008

Predicting the phenotype of an organism from its genotype is a central question in genetics. Most importantly, we would like to find out if the perturbation of a single gene may be the cause of a disease. However, our current ability to predict the phenotypic effects of perturbations of individual genes is limited. Network models of genes are one tool for tackling this problem. In a recent study, (Lee et al.) it has been shown that network models covering the majority of genes of an organism can be used for accurately predicting phenotypic effects of gene perturbations in multicellular organisms. BioEssays 30:707–710, 2008. © 2008 Wiley Periodicals, Inc.
Genetic circuitry controlling motility behaviors of Myxococcus xanthus
Authors: Mignot Tâm , Kirby John R.
Published: July 2008

M. xanthus has a complex multicellular lifestyle including swarming, predation and development. These behaviors depend on the ability of the cells to achieve directed motility across solid surfaces. M. xanthus cells have evolved two motility systems including Type‐IV pili that act as grappling hooks and a controversial engine involving mucus secretion and fixed focal adhesion sites. The necessity for cells to coordinate the motility systems and to respond rapidly to environmental cues is reflected by a complex genetic network involving at least three complete sets of chemosensory systems and eukaryotic‐like signaling proteins. In this review, we discuss recent advances suggesting that motor synchronization results from spatial oscillations of motility proteins. We further propose that these dynamics are modulated by the action of multiple upstream complementary signaling systems. M. xanthus is thus an exciting emerging model system to study the intricate processes of directed cell migration. BioEssays 30:733–743, 2008. © 2008 Wiley Periodicals, Inc.
Antiangiogenic therapy and surgical practice (Br J Surg 2008; 95: 281–293)
Authors: Cohen I J
Published: July 2008

The Editors welcome topical correspondence from readers relating to articles published in the Journal. Responses should be sent electronically via the BJS website (www.bjs.co.uk). All letters will be reviewed and, if approved,appear on the website. A selection of these will be edited and published in the Journal. Letters must be no more than 250 words in length.
Do environmental social controls matter to Australian capital investment decision‐making?
Authors: Ross Donald G. , Wood Dorothy
Published: July 2008

This paper looks at how environmental social controls (ESCs), namely mandatory disclosure, regulation, subsidies and stakeholder opinion, are perceived in terms of their relative importance by Australian capital investment managers. We find that regulation and stakeholder opinion are the most important ESCs. Subsidies generally have less influence, while mandatory disclosure has almost no impact on capital investment decisions. However, even the more important ESCs have much less than impact than mainstream financial and strategic factors. Policy makers seeking to influence capital investment managers will have to increase the power levels of the various ESCs if they are to change behaviour. Copyright © 2008 John Wiley & Sons, Ltd and ERP Environment.
Industrial symbiosis in the Rotterdam Harbour and Industry Complex: reflections on the interconnection of the techno‐sphere with the social system
Authors: Baas Leo
Published: July 2008

Industrial ecology is a concept that is known worldwide; however, its dissemination and implementation is not an easy process. Industrial routines are embedded in unsustainable practices that are difficult to change. The complexity and uncertainties of new concepts are often approached with ignorance and misperceptions. Nevertheless, the integration of economic, environmental and social dimensions in industrial activities is increasingly perceived as a necessary condition for a sustainable society. This paper reflects upon the relevance of theories of capabilities, embeddedness and transformation for providing guidance in understanding the practical experiences of industrial symbiosis, processes and results in the Rotterdam Harbour and Industry Complex. The conclusion is that, despite sustainability learning processes leading to radical applications of waste heat in regional housing areas and a seafood farm, the elaboration of sustainability approaches is still dominantly techno‐centred. Copyright © 2008 John Wiley & Sons, Ltd and ERP Environment.
Community Psychology principles and recent innovations in social policies for children in Italy
Authors: Rissotto Antonella , Zampatti Emanuela , Prezza Miretta , Pacilli Maria Giuseppina
Published: July 2008

The main action carried out in Italy to implement the international agreement on children's rights is Law 285/1997. The aim of this paper is to stress the innovative scope of this law and its links with Community Psychology. The coordination between researchers and practitioners is addressed and the state of art of Community Psychology in Italy is discussed. Copyright © 2008 John Wiley & Sons, Ltd.
AIDS‐NGOs and political participation: Brazilian and Canadian experiences
Authors: de Castro‐Silva Carlos Roberto , Hewitt W. E. (Ted) , Sabourin Sharon , Calixto Sergio , Santos Elisandra , Ricard Suzanne
Published: July 2008

Non‐governmental organizations (AIDS‐NGO) are an instrument of political pressure and assistance, often serving as a life reconstruction aid for people living with HIV/AIDS. In this case study, we analyze data from historical documents, in‐depth interviews, and questionnaires obtained from participants and community agents in two AIDS‐NGOs: one in Canada (NGO‐Ca), and another in Brazil (NGO‐Br). Despite contextual differences, both NGOs are involved in a fight against stigma and discrimination that may aggravate existing social exclusion. Variances in political participation are nevertheless evident. In NGO‐Ca, efforts are directed towards maintaining and consolidating human and social rights. In NGO‐Br, the primary goal is building these. In NGO‐Ca, the participant is part of a structured organization where he or she receives the required supports; the NGO is thus a service provider. Conversely, in NGO‐Br, the participant is both the actor and author of collectively constructed supportive actions. It is hoped that the lessons learned from this limited case study will assist in the strengthening of AIDS‐NGO organization and activity, particularly in the developing world context. Copyright © 2008 John Wiley & Sons, Ltd.
Engaging contexts: Drawing the link between student and teacher experiences of the hidden curriculum
Authors: Langhout Regina D. , Mitchell Cecily A.
Published: July 2008

This article examines how academic disengagement (being off task, unenthusiastic and uncurious about learning) is facilitated by the hidden curriculum (the values, norms and beliefs transmitted via the structure of schooling), and mediated by race, ethnicity and gender for students in a working class elementary school. Additionally, we contextualize how a teacher was challenged by the hidden curriculum in her attempt to make her classroom environment engaging for all students. Participants included a young white female teacher and 21 second grade, low‐income students, of whom approximately 50% were white and 50% were Black or Latino/a. A teacher interview and fieldnotes covering 8 hours a week over 3 months comprised the data. Results indicated that students were required to show their engagement in particular ways that related to control and conformity. When they did not, they were reprimanded, which led to academic disengagement and the transmission of the hidden curriculum's message that school was not a place for them. This process was especially salient for Black and Latino boys, which indicated that the hidden curriculum was institutionalized. Results also showed that the hidden curriculum was a structural limitation for the teacher, as she was often thwarted in her attempts to create an academically engaging learning environment. Implications include strategies for school change and reform, including making the hidden curriculum more visible. Copyright © 2008 John Wiley & Sons, Ltd.
Recent Developments in the Chemistry of Sandalwood Odorants
Authors: Brocke Constanze , Eh Marcus , Finke Anja
Published: July 2008

Natural sandalwood oil, a unique and valuable ingredient in fine perfumery, has been the focus of scientific interest for many years. Due to its scarcity and its high price, the search for novel synthetic raw materials imitating the characteristic odor profile of sandalwood oil is as challenging as ever. In this context, the preparation of the novel sandalwood odorants 26, 33, and 39 will be discussed, including their sensory properties and structure–odor relationship.
Homogeneous Asymmetric Catalysis in Fragrance Chemistry
Authors: Ciappa Alessandra , Bovo Sara , Bertoldini Matteo , Scrivanti Alberto , Matteoli Ugo
Published: July 2008

Opposite enantiomers of a chiral fragrance may exhibit different olfactory activities making a synthesis in high enantiomeric purity commercially and scientifically interesting. Accordingly, the asymmetric synthesis of four chiral odorants, Fixolide®, Phenoxanol®, Citralis®, and Citralis Nitrile®, has been investigated with the aim to develop practically feasible processes. In the devised synthetic schemes, the key step that leads to the formation of the stereogenic center is the homogeneous asymmetric hydrogenation of a prochiral olefin. By an appropriate choice of the catalyst and the reaction conditions, Phenoxanol®, Citralis®, and Citralis Nitrile® were obtained in high enantiomeric purity, and odor profiles of the single enantiomers were determined.
Lewis Super‐Acid Catalyzed Cyclizations: A New Route to Fragrance Compounds
Authors: Coulombel Lydie , Grau Fanny , Weïwer Michel , Favier Isabelle , Chaminade Xavier , Heumann Andreas , Bayón J. Carles , Aguirre Pedro A. , Duñach Elisabet
Published: July 2008

This review deals with the application of Lewis super acids such as AlIII, InIII, and SnIV triflates and triflimidates as catalysts in the synthesis of fragrance materials. Novel catalytic reactions involving CC and Cheteroatom bond‐forming reactions, as well as cycloisomerization processes are presented. In particular, SnIV and AlIII triflates were employed as catalysts in the selective cyclization of unsaturated alcohols to cyclic ethers, as well as in the cyclization of unsaturated carboxylic acids to lactones. The addition of thiols and thioacids to non‐activated olefins, both in intra‐ and intermolecular versions, was efficiently catalyzed by InIII derivatives. SnIV Triflimidates catalyzed the cycloisomerization of highly substituted 1,6‐dienes to gem‐dimethyl‐substituted cyclohexanes bearing an isopropylidene substituent. The hydroformylation of these unsaturated substrates, catalyzed by a RhI complex with a bulky phosphite ligand, selectively afforded the corresponding linear aldehydes. The olfactory evaluation of selected heterocycles, carbocycles, and aldehydes synthesized is also discussed.
A Smelling Trip into the Past: The Influence of Synthetic Materials on the History of Perfumery
Authors: de Nicolaï Patricia
Published: July 2008

Contemporary perfumery has its roots in the work of the past, and many of the perfumes from this time have long since disappeared. What follows is a short account of some of the most famous perfumes from the past which have been inspired by the novel synthetic materials of the time. These important creations include, ‘Fougère Royale’ by Houbigant (1884) containing coumarin (1), ‘Jicky’ by Guerlain (1889) containing vanillin (2) and linalool (3), ‘Vera Violetta’ by Roger & Gallet (1892) containing α‐ and β‐ionone (4 and 5, resp.), ‘Trèfle Incarnat’ by Piver (1898) containing isoamyl salicylate (6), ‘La Rose Jacqueminot’ of Coty (1904) containing Rhodinol (7), ‘Après l'Ondée’ by Guerlain (1906) containing para‐anisaldehyde (8), ‘Quelques Fleurs’ by Houbigant (1912) containing hydroxycitronellal (9), ‘N°5’ by Chanel (1921) containing the aldehydes C‐10 (10), C‐110 (11), and C‐12 (12), ‘Nuit De Noël’ by Caron (1922) containing 6‐isobutylquinoline (14), and ‘Femme’ by Rochas (1944) containing the so‐called ‘aldehyde C‐14’ (15, γ‐undecalactone). The Osmotheque, the International Conservatory of Perfumes, was launched in 1990 and is regarded as a primary source of knowledge for the history of perfumery. Its vocation is to compile an amazing collection of 1700 perfumes (400 of them almost forgotten fragrances) – jewels of perfumery.
Taste‐Active Compounds in a Traditional Italian Food: ‘Lampascioni’
Authors: Borgonovo Gigliola , Caimi Sara , Morini Gabriella , Scaglioni Leonardo , Bassoli Angela
Published: July 2008

Nature is a rich source of taste‐active compounds, in particular of plant origin, many of which have unusual tastes. Many of these are found in traditional food, where spontaneous plants are used as ingredients. Some taste‐active compounds were identified in the bulbs of Muscari comosum, a spontaneous plant belonging to the family of the Liliaceae, very common in the Mediterranean area, and used in traditional gastronomy (called ‘lampascioni’ in South Italy). The bulbs were extracted with a series of solvents of different polarity. The different fractions were submitted to a preliminary sensory evaluation, and the most interesting ones, characterized by a strong bitter taste and some chemestetic properties, were submitted to further purification and structural analysis. From the ethereal extract, several 3‐benzyl‐4‐chromanones and one stilbene derivative were isolated. Pure compounds were examined for their taste activity by means of sensory evaluation, and proved to be responsible for the characteristic taste of this food. Some of these compounds have been synthesized de novo to confirm their structure.
High‐Impact Sulfur Compounds: Constitutional and Configurational Assignment of Sulfur‐Containing Heterocycles
Authors: Krafft Christoph , Brennecke Stefan , Ott Frank , Backes Michael , Salzer Reiner , Grunenberg Jörg , Ley Jakob P. , Krammer Gerhard E. , Weber Berthold
Published: July 2008

To unambiguously identify their structures and to evaluate their organoleptic properties, several constitutional und configurational isomers of dialkyl‐tetrathianes and dialkyl‐pentathiepanes were synthesized by two different synthetic protocols, and separated by preparative gas chromatography. Raman and NMR spectroscopy were used to differentiate between the constitutional 3,6‐dialkyl‐1,2,4,5‐tetrathiane and the 4,6‐dialkyl‐1,2,3,5‐tetrathiane isomers. Furthermore, cis‐ and trans‐isomers of 3,6‐dialkyl‐1,2,4,5‐tetrathianes were distinguished by temperature‐dependent NMR experiments. Static, quantum‐chemical simulations of the NMR spectra for these cis‐ and trans‐isomers were calculated in the gas layer in order to confirm our experimental assignments. In addition, the assignment of 4,7‐alkyl‐1,2,3,5,6‐pentathiepanes were deducted from their Raman spectra. Dialkyl‐tetrathianes and dialkyl‐pentathiepanes are interesting components to be used in flavor applications due to their unique olfactory impact and facets.
Human Olfactory Receptor Families and Their Odorants
Authors: Krautwurst Dietmar
Published: July 2008

The human nose detects volatile chemical stimuli by at least three different receptor families: odorant receptors, trace amine‐associated receptors, and vomeronasal type‐1 receptors. As G protein‐coupled receptors, all of the few functionally characterized olfactory receptors share major functional features: when expressed in heterologous cell systems, they 1) respond to odorants of certain chemical groups, e.g., amines, aliphatic carboxylic acids or aldehydes, floral or fruity odorants, including certain key‐food odorants, and putative pheromones, and 2) transduce their signals to intracellular cAMP signaling. However, little is known yet about specific differences in the functional designation of the three olfactory receptor families. Recently, two heterologous cell systems expressing olfactory signaling molecules have been developed. Different screening strategies will shed light on the yet sparsely available odorant specificity profiles and structure–function relationships of olfactory receptors, as well as the structure–activity relationships of their odorants.
Odorant–Receptor Interactions and Odor Percept: A Chemical Perspective
Authors: Triller Annika , Boulden Elizabeth A. , Churchill Anne , Hatt Hanns , Englund Joakim , Spehr Marc , Sell Charles S.
Published: July 2008

Receptor–ligand interaction models are generally based on a ‘lock and key’ concept. How far this holds true for olfactory receptors and odor molecules is currently uncertain. Here, we have investigated the response of a human olfactory receptor, OR1D2, to a broad array of odorants and found that there is no simple, direct correlation between a molecule's ability to activate this receptor and the odor impression elicited in the brain. In a parallel study on specific anosmia, we have found no evidence for odor‐specific anosmia to either musk or amber, but rather to specific molecules within these categories. Cluster analysis confirmed that there is no simple correlation between molecular structure and impaired perception in either odor type. There are some differences in patterns of impairment between the two odor types and some evidence to suggest that subjects with specific anosmia to a given substance can identify its presence in a mixture. Taken together, our results show that simplistic ‘lock and key’ models of olfaction based on a concept of odor‐quality‐tuned receptors are inadequate, irrespective of the nature of the lock–key interaction. Receptor activation is only one step in a long chain of events leading from inhalation of odorants to perception of odor in the higher brain, and, therefore, although structure–odor correlations are useful tools for the design of novel odorants, caution should be exercised when extrapolating them to models of olfactory perception. Those seeking to understand the odorant–receptor interaction should use receptor activation rather than odor as input data.
Flower Scents from the Pacific
Authors: Joulain Daniel
Published: July 2008

For a long time, exotic scents from the islands of the South Pacific have universally been appreciated. Most frequently, fragrant flowers (e.g., frangipani, jasmine sambac, tiaré, pua kenikeni) are used locally for ornamental purposes such as flower garlands (leis). Despite their powerful and delightful fragrance, very few of these flowers have been commercially employed in this part of the world for perfume manufacturing. Creative perfumers are nevertheless strongly interested to better understand these fragrances and to use them, either genuine or artificially reconstituted. Analytical results on the fragrance of these flowers are reported, together with some economical considerations.
Chemistry Around Pinene and Pinane: A Facile Synthesis of Cyclobutanes and Oxatricyclo‐Derivative of Pinane from cis‐ and trans‐Pinanols
Authors: Erman Mark B. , Kane Bernard J.
Published: July 2008

α‐Pinene and β‐pinene are abundantly represented in nature; they are obtained from renewable sources and are irreplaceable synthons for commercial‐scale production of other terpenes. In a well‐known process practiced by Millennium Specialty Chemicals (MSC), hydrogenation of pinenes gives cis‐ and trans‐pinanes, which are oxidized to hydroperoxides, whose reduction gives cis‐ and trans‐pinanols, respectively. Pyrolysis of the pinanols gives linalool. Industrial availability of the pinanols makes them attractive objects for further synthetic research. We found that, in a very simple process of ‘chlorooxidation’, cis‐ and trans‐pinanols react with hypochloric acid producing a novel chloroketone 1‐[3‐(2‐chloroethyl)‐2,2‐dimethylcyclobutyl]ethanone and a tricyclic ether 6,9‐dimethyl‐7‐oxatricyclo[4.3.0.03,9]nonane, respectively. Both compounds offer new broad synthetic opportunities, providing access to numerous dimethylcyclobutane derivatives and to C(9)‐functionalized pinenes and pinanes. The chlorooxidation reaction was also extended to other terpene alcohols such as dihydroplinol, tetrahydromyrcenol, and tetrahydrolinalool. This review, based on a presentation at the RSC/SCI conference Flavours & Fragrances 2007 in London, September 24–26, 2007, will touch on environmental issues related to pinenes, give a brief overview of the existing pinene‐based technologies, and discuss the new experimental results.
Odorant Design Based on the Carbon/Silicon Switch Strategy
Authors: Tacke Reinhold , Metz Stefan
Published: July 2008

Silicon chemistry has been demonstrated to be a novel source of chemical diversity in odorant design. The carbon/silicon switch strategy, i.e., sila‐replacement in known odorants, is one of the methods currently used for the development of silicon‐based odorants. Examples resulting from this strategy are sila‐coranol, sila‐dimetol, sila‐linalool, sila‐muguetalcohol, sila‐majantol, sila‐hydratropyl acetate, sila‐bourgeonal, sila‐lilial, disila‐versalide, and disila‐okoumal.
Synthetic Applications of Enantioselective Protonation and Case Study for (S)‐α‐Damascone
Authors: Fehr Charles , Randall Harvey
Published: July 2008

Among the fragrance compounds synthesized by enantioselective protonation, (S)‐α‐damascone, (R)‐muscone, and (S,S)‐Vulcanolide are the most prominent ones. (S)‐α‐Damascone has been prepared by four different procedures: from the magnesium enolate, from the lithium enolate, from the enol, and from the corresponding thiol ester. We now present a new, industrially viable protocol for the addition of allyl magnesium chloride to the ‘cyclogeranoketene’ by a Barbier reaction, followed by protonation of the ensuing magnesium enolate by an aggregate formed from (−)‐N‐isopropylephedrine, lithium isopropylate, and acetic acid, furnishing (S)‐α‐damascone in 91% yield and with 71% ee.
Cetalox® and Analogues: Synthesis via Acid‐Mediated Polyene Cyclizations
Authors: Snowden Roger L.
Published: July 2008

Using a novel, acid‐mediated cyclization methodology, a direct access to Cetalox® ((±)‐1; a commercially important ambergris‐type odorant) and various structurally related didehydro (i.e., 19, 26, and 30) and tetradehydro (i.e., 28 and 37/38) analogues is described. Treatment of either (E,E)‐14 or (E)‐15 with an excess of FSO3H in 2‐nitropropane at −90° stereospecifically afforded (±)‐1 in 40 and 42% yield, respectively. Under similar conditions, cyclization of (E)‐18 or 20 furnished 19 in 60 and 64% yield, respectively. Analogously, using an excess of ClSO3H in CH2Cl2 at −80°, 26 is formed with high stereoselectivity by cyclization of either (E)‐24 or (Z)‐25 (52 and 31% yield, resp.); in the same manner, 28 was prepared from 27 (22% yield). The same principle was applied to the synthesis of racemic Superambrox (30), via cyclization of 35, but only with poor selectivity (22%) and low yield (7%). Another approach via cyclization of (E)‐40 under solvolysis conditions (excess TFA in CH2Cl2 at −10°) gave a higher yield (15%) with improved selectivity (43%). Finally, cyclization of 34 (1 : 1 diastereoisomer mixture) afforded 37/38 (10 : 1) in 27% yield. The qualitative organoleptic properties of 19, 26, 28, 30, and 37/38 (10 : 1) are briefly discussed.
Behaviour problems in childhood and adolescence in psychotic offenders: an exploratory study
Authors: Goethals Kris , Willigenburg Lisette , Buitelaar Jan , Van Marle Hjalmar
Published: July 2008

Background Several studies have shown that adults who develop schizophrenia and commit a criminal offence may already have shown behaviour problems in childhood or adolescence. It is less clear whether such problems follow a particular pattern in such patients.

Aims To examine the utility of the Child Behavior Checklist (CBCL) among offenders, to test whether externalizing behaviour problems, as measured by the CBCL, are more frequent in psychotic offenders than in non‐offenders with psychosis, and to investigate relationships between early behavioural problems and adult personality disorder in psychotic offenders.

Methods Three groups of violent offenders detained under the Dutch Entrustment Act (TBS‐detainees)(n = 78) and one group of psychotic patients in general psychiatry (n = 16) were rated from case records on the CBCL.

Results There was a significant difference between psychotic offenders with a personality disorder (n = 25) and the non‐offender patients with psychosis (n = 16) on the ‘delinquent behavior’ scale, but no such difference between psychotic offenders with (n = 25) and without (n = 21) personality disorder. A hierarchic cluster analysis revealed significantly higher scores for externalizing behaviour in all TBS‐detainees with a personality disorder. Those starting to offend early had higher scores for externalizing behaviour than late starters.

Conclusions Psychotic and non‐psychotic offenders with personality disorder resemble one another in their early childhood behaviour problems; psychotic offenders without a personality disorder differ from these two groups but resemble non‐offenders with psychosis. In contrast to findings in non‐forensic populations, there were no differences on other problem scales of the CBCL. Given the small sample sizes, replication is needed, but the findings lend weight to treatment models which focus on the psychosis in the latter two groups but extend also to personality disorder in the former. Copyright © 2008 John Wiley & Sons, Ltd.
Focus on the potential of hybrid hard‐ and soft‐MCR–ALS in time resolved spectroscopy
Authors: Blanchet Lionel , Ruckebusch Cyril , Huvenne Jean‐Pierre , de Juan Anna
Published: July 2008

This work presents some strategies to obtain time‐dependent concentration profiles and spectra from time resolved spectroscopic data of complex systems. Multivariate curve resolution–alternating least squares (MCR–ALS) has been of particular interest in this field because of the possibility to implement simultaneously soft‐modeling constraints and kinetic models on a multibatch resolution. This approach allows circumventing a rank deficiency inherent to time resolved difference data, even in presence of interferent species. The methodology is illustrated using examples from femtosecond photochemistry and biochemistry. Copyright © 2008 John Wiley & Sons, Ltd.
Estimation of drug release profiles of a heterogeneous set of drugs from a hydrophobic matrix tablet using molecular descriptors
Authors: Matero Sanni , Reinikainen Satu‐Pia , Lahtela‐Kakkonen Maija , Korhonen Ossi , Ketolainen Jarkko , Poso Antti
Published: July 2008

We utilized a diverse set of drug compounds in order to quantitatively model and predict the drug release profiles of the compounds from starch acetate matrix tablets. The set of drug molecules used represented a wide spectrum of physicochemically different drugs which are administered perorally. The molecular descriptors that characterize the properties of dissolved drugs were evaluated as variables describing the dissolution profiles. The molecular descriptors revealed potential in predicting the dissolution profiles of test drugs, e.g., the molecular level interactions between drug, solvent, and excipient. This method could be utilized as a process control or a development tool in the pharmaceutical industry, e.g., to provide information about drug dissolution behavior in early formulation studies and in testing the similarity of tablets in different batches. Copyright © 2008 John Wiley & Sons, Ltd.
Dependence of Enantioselectivity on the Ligand/Metal Ratio in the Asymmetric Michael Addition of Indole to Benzylidene Malonates: Electronic Influence of Substrates
Authors: Schätz Alexander , Rasappan Ramesh , Hager Markus , Gissibl Anja , Reiser Oliver
Published: July 2008

Simple bis(oxazoline) ligands, especially azabis(oxazolines), can promote the copper(II)‐catalyzed Michael addition of indoles to benzylidene malonates with up to >99 % ee (ee=enantiomeric excess), provided that the ligand/metal ratio is tuned meticulously with particular regard to the electronic properties of the substrate. Despite a common paradigm followed in many asymmetric catalyses, an excess of chiral ligand is not always beneficial. In fact any excess of ligand has to be avoided to reach excellent enantioselectivities when electron‐rich benzylidene malonates are used. On the contrary, malonates carrying an electron‐withdrawing group require an excess of ligand for an optimum ee value. A correlation of optical yields versus the σI values of several para substituents shows a sigmoid trajectory. In the presence of an additive, such as triflate, the significance of the ligand/metal ratio vanishes and very good enantioselectivities are achieved at any rate—no matter whether electron‐donating or withdrawing substituents are present.
A Combined Experimental and Theoretical Study of the Molecular Inclusion of Organometallic Sandwich Complexes in a Cavitand Receptor
Authors: Zuidema Erik , Sarmentero M. Angeles , Bo Carles , Ballester Pablo
Published: July 2008

We describe herein a detailed study of the inclusion processes of several positively charged organometallic sandwich complexes inside the aromatic cavity of the self‐folding octaamide cavitand 1. In all cases, the binding process produces aggregates with a simple 1:1 stoichiometry. The resulting inclusion complexes are not only thermodynamically stable, but also kinetically stable on the 1H NMR spectroscopy timescale. The binding constants for the inclusion complexes were determined by different titration techniques. We have also investigated the kinetics of the binding process and the motion of the metallocenes included in the aromatic cavity of the host. Using DFT‐based calculations, we have evaluated the energies of a diverse range of potential binding geometries for the complexes. We then computed the proton chemical shifts of the included guest in each one of the binding geometries. The agreement between the averaged computed values and the experimentally determined chemical shifts clearly supports the proposed binding geometries that we assigned to the inclusion complexes formed in solution. The combination of experimental and theoretical results has allowed us to elucidate the origins of the distinct features detected in the complexation process of the different guests, as well as their different motions inside the host.
Glycomimetics and Glycodendrimers as High Affinity Microbial Anti‐adhesins
Authors: Imberty Anne , Chabre Yoann M. , Roy René
Published: July 2008

Adhesion to epithelial surface is often the first step in bacterial and viral infection. In this process, the microbes use a variety of proteins for interaction with host carbohydrates presented as glycoconjugates on cell surfaces. Crystal structures of adhesin and lectin binding sites in complexes with oligosaccharide open the route for design and synthesis of glycomimetics, glycodendrimers, and glycopolymers that are able to block infection at an early stage.
Nematic and Columnar Ordering of a PEG–Peptide Conjugate in Aqueous Solution
Authors: Hamley Ian W. , Krysmann Marta J. , Kelarakis Antonios , Castelletto Valeria , Noirez Laurence , Hule Rohan A. , Pochan Darrin J.
Published: July 2008

The self‐assembly in aqueous solution of a PEG–peptide conjugate is studied by spectroscopy, electron microscopy, rheology and small‐angle X‐ray and neutron scattering (SAXS and SANS). The peptide fragment, FFKLVFF is based on fragment KLVFF of the amyloid β‐peptide, Aβ(16–20), extended by two hydrophobic phenylalanine units. This is conjugated to PEG which confers water solubility and leads to distinct self‐assembled structures. Small‐angle scattering reveals the formation of cylindrical fibrils comprising a peptide core and PEG corona. This constrained structure leads to a model parallel β‐sheet self‐assembled structure with a radial arrangement of β sheets. On increasing concentration, successively nematic and hexagonal columnar phases are formed. The flow‐induced alignment of both structures was studied in situ by SANS using a Couette cell. Shear‐induced alignment is responsible for the shear thinning behaviour observed by dynamic shear rheometry. Incomplete recovery of moduli after cessation of shear is consistent with the observation from SANS of retained orientation in the sample.
ChemInform Abstract: Copper‐Catalyzed Addition of Halide and Sulfide Groups to Alkynes Utilizing Disulfides with Tetrabutylammonium Halides.
Authors: Taniguchi Nobukazu
Published: July 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Preparation of Phenyl‐butyraldehydes Using a Base‐Catalyzed Aromatization of Dienones.
Authors: Plano Maria Fernanda , Labadie Guillermo R. , Cravero Raquel M.
Published: July 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Mannich‐Type Reaction Catalyzed by Silica‐Supported Fluoroboric Acid under Solvent‐Free Conditions.
Authors: Chen WeiYi , Li XinSheng , Lu Jun
Published: July 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Facile Synthesis of 9,10‐Diarylphenanthrenes and Poly(9,10‐diarylphenanthrene)s.
Authors: He Bo , Tian Hongkun , Geng Yanhou , Wang Fosong , Muellen Klaus
Published: July 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Synthesis of NH‐Aziridines from Vicinal Amino Alcohols via the Wenker Reaction: Scope and Limitation.
Authors: Zhu Min , Hu Libo , Chen Ning , Du Da‐Ming , Xu Jiaxi
Published: July 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Sulfamic Acid as a Novel, Efficient, Cost‐Effective, and Reusable Solid Acid Catalyst for the Synthesis of Pyrroles under Solvent‐Free Conditions.
Authors: De Surya K.
Published: July 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Synthesis of Fused 4,5‐Disubstituted Indole Ring Systems by Intramolecular Friedel—Crafts Acylation of 4‐Substituted Indoles.
Authors: Fillion Eric , Dumas Aaron M.
Published: July 2008

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.