bluuebunny/crossref_metadata_2025 huggingface dataset:
Head‐twitch response in rodents induced by the hallucinogen 2,5‐dimethoxy‐4‐iodoamphetamine: a comprehensive history, a re‐evaluation of mechanisms, and its utility as a model
Authors: Canal Clint E. , Morgan Drake
Published: April 2012

Two primary animal models persist for assessing hallucinogenic potential of novel compounds and for examining the pharmacological and neurobiological substrates underlying the actions of classical hallucinogens, the two‐lever drug discrimination procedure and the drug‐induced head‐twitch response (HTR) in rodents. The substituted amphetamine hallucinogen, serotonin 2 (5‐HT2) receptor agonist, 2,5‐dimethoxy‐4‐iodoamphetamine (DOI) has emerged as the most popular pharmacological tool used in HTR studies of hallucinogens. Synthesizing classic, recent, and relatively overlooked findings, addressing ostensibly conflicting observations, and considering contemporary theories in receptor and behavioural pharmacology, this review provides an up‐to‐date and comprehensive synopsis of DOI and the HTR model, from neural mechanisms to utility for understanding psychiatric diseases. Also presented is support for the argument that, although both the two‐lever drug discrimination and the HTR models in rodents are useful for uncovering receptors, interacting proteins, intracellular signalling pathways, and neurochemical processes affected by DOI and related classical hallucinogens, results from both models suggest they are not reporting hallucinogenic experiences in animals. Copyright © 2012 John Wiley & Sons, Ltd.
Olefin Epoxidation Catalyzed by cis‐Dioxdomolybdenum(VI) Complexes Containing Chiral Alkoxo‐Imino Ligands Derived from (+)‐α‐Pinene
Authors: Chahboun Ghaita , Brito Jose Angel , Royo Beatriz , El Amrani Mohamed Amin , Gómez‐Bengoa Enrique , Mosquera Marta E. G. , Cuenca Tomás , Royo Eva
Published: April 2012

New chiral cis‐dioxidomolybdenum compounds [MoO2(acac)(RN,O)] [R = Bn (1), pic (2)] and [{MoO2(acac)}2{μ‐(O,N,N,O)}] (3) have been synthesized by treating [MoO2(acac)2] withthe corresponding enantiomerically pure alcohol‐iminocompounds derived from (+)‐α‐pinene modification, (RN,OH) (R = Bn, pic) and (HO,N,N,OH), respectively. Compound [MoO2Cl2(O,N,N,O)] (4) has also been prepared. All the compounds were fully characterized both in solution and in the solid state, including by single‐crystal X‐ray diffraction analysis of enantiomerically pure 3. DFT studies support the stereoselectivity of the synthesis of compound 3. Catalytic olefin epoxidation studies were performed with cis‐cyclooctene, (R)‐limonene, and trans‐β‐methylstyrene by using derivatives 1–4 as catalyst precursors and tert‐butyl hydroperoxide (TBHP) or H2O2 as oxidant. All the catalytic systems showed high chemoselectivity irrespective of the terminal oxidant used. The molybdenum compounds exhibited medium to high catalytic activity at mild reaction temperatures, but no substantial optical induction was observed. This study represents the first use of chiral monoacetylacetonato‐cis‐dioxidomolybdenum compounds as homogeneous olefin epoxidation catalysts.
6,12‐Diphenyldibenzo[b,f][1,5]diazocine as an Electron‐Capture Agent: Efficient Mechanistic Probe for SET Processes and Reagent for the Oxidative Dimerization of Benzylic Organometallics
Authors: Eisch John J. , Yu Kun , Rheingold Arnold L.
Published: April 2012

In the present study, 6,12‐diphenyldibenzo[b,f][1,5]diazocine, which X‐ray diffraction measurements have now shown to possess a tub‐shaped, eight‐membered central ring, has been treated with sodium or lithium metal at 25 °C in THF, in an attempt to form the planar, Hückel‐aromatic dianion by the addition of two electrons to the central diazocine. Hydrolysis of such an aromatic dianion should have led to the isomeric 5,12‐ or 5,6‐dihydro derivative of the original diazocine. In actuality, the only product obtained quantitatively upon hydrolytic workup was the interesting quadricyclic transannular reduction product, 4b,9b‐diphenyl‐4b,5,9b,10‐tetrahydroindolo[3,2‐b]indole, whose 3D structure has now been confirmed by X‐ray crystallography and 13C NMR spectroscopy. Preferential SET transannular reduction of the diazocine to yield the quadricyclic indolo[3,2‐b]indole dianion, rather than the planar, Hückel‐aromatic anion, is ascribed to the transannular electronic stabilization operative in the tub‐shaped diazocine radical‐anion. The quantitative generation of the indolo[3,2‐b]indole dianion can be employed for the oxidative dimerization of the organic groups in benzylic lithium reagents. Thus treating one equivalent of the diazocine with two equivalents of benzyllithium, benzhydryllithium, or trityllithium yields quantitatively bibenzyl, 1,1,2,2‐tetraphenylethane, or (4‐benzhydrylphenyl)triphenylmethane, respectively. This oxidative dimerization is potentially of practical preparative scope, since the hydrolysis byproduct, the indolo[3,2‐b]indole, is conveniently reconverted into the starting diazocine reagent by oxidation with chromium trioxide in acetic acid. The formation of the indolo[3,2‐b]indole as a byproduct in the carbometalation of the diazocine by various RLi and Grignard reagents offers a clue as to the SET mechanism of carbometalation.
Synthesis and Electrocatalytic Activity of 3Au1Pd Alloy Nanoparticles/Graphene Composite for Bisphenol A Detection
Authors: Huang Caixia , Wu Yueting , Chen Jinsong , Han Zhizhong , Wang Jian , Pan Haibo , Du Min
Published: April 2012

In this study, a 3Au1Pd alloy nanoparticles/graphene composite (3Au1Pd alloy NPs/GN) with carboxyl groups and hydroxyl groups was prepared facilely by co‐reduction of graphene oxide (GO), HAuCl4, K2PdCl4, with an AuPd alloy molar ratio of 3 : 1. The composite modified glass carbon electrode (GCE) showed a good performance for detecting bisphenol A (BPA) due to the enhanced electron transfer kinetics and large active surface area. The effective enrichment of BPA is attributed to the carboxyl groups and hydroxyl groups on the composite. According to the results of differential pulse voltammetry (DPV), the BPA oxidation current is linear to its concentration in the range of 10 nM–5.0 µM (R=0.998), and the detection limit is found to be 4.0 nM (S/N=3).
Highly Sensitive Neurotransmitters Analysis at Platinum‐Ultramicroelectrodes Arrays
Authors: Moraes Fernando C. , Cesarino Ivana , Coelho Dyovani , Pedrosa Valber A. , Machado Sergio A. S.
Published: April 2012

An easy way to determine norepinephrine (NE) in biological fluid using a platinum ultramicroelectrode array (Pt‐UMEAs) is described. Issues related to UME electrode surface treatment and characterizations are also addressed. At optimized experimental conditions the dynamic concentration range was 1.0 to 10.0 µmol L−1 with a detection limit of 40.5 nmol L−1. The repeatability of current responses for injections of 5 µmol L−1 NE was evaluated to be 4.0 % (n=10). This approach obtained excellent sensitivity, a reliable calibration profile and stable electrochemical response for norepinephrine detection. The content of NE in urine samples without any preconcentration, purification, or pretreatment step, was successfully analyzed by the standard addition method using the Pt‐UMEAs.
Application of a sensitive near‐field microwave microprobe to the nondestructive characterization of microbial rhodopsin
Authors: Kim Songhui , Yoon Youngwoon , Lee Hanju , Choi Ah Reum , Jung Kwang‐Hwan , Babajanyan Arsen , Abrahamyan Tigran , Yoo Hyungkeun , Lee Jung‐Ha , Cha Deokjoon , Berthiau Gerard , Friedman Barry , Lee Kiejin
Published: April 2012

We study the opto‐electrical properties of Natronomonas pharaonis sensory rhodopsin II (NpSRII) by using a near‐field microwave microprobe (NFMM) under external light illumination. To investigate the possibility of application of NFMM to biological macromolecules, we used time dependent properties of NPSRII before/after light activation which has three distinct states – ground‐state, M‐state, and O‐state. The diagnostic ability of NFMM is demonstrated by measuring the microwave reflection coefficient (S11) spectrum of NpSRII under steady‐state illumination in the wavelength range of 350–650 nm. Moreover, we present microwave reflection coefficient S11 spectra in the same wavelength range for two fast‐photocycling rhodopsins: green light‐absorbing proteorhodopsin (GPR) and Gloeobacter rhodopsin (GR). In addition the frequency sweep shift can be detected completely even for tiny amounts of sample (∼10–3 OD of rhodopsin). Based on these results NFMM shows both very high sensitivity for detecting conformational changes and produces a good time‐resolved spectrum. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Localization of molecular orbitals on fragments
Authors: Sax Alexander F.
Published: April 2012

A non‐iterative algorithm for the localization of molecular orbitals (MOs) from complete active space self consistent field (CASSCF) and for single‐determinantal wave functions on predefined moieties is given. The localized fragment orbitals can be used to analyze chemical reactions between fragments and also the binding of fragments in the product molecule with a fragments‐in‐molecules approach by using a valence bond expansion of the CASSCF wave function. The algorithm is an example of the orthogonal Procrustes problem, which is a matrix optimization problem using the singular value decomposition. It is based on the similarity of the set of MOs for the moieties to the localized MOs of the molecule; the similarity is expressed by overlap matrices between the original fragment MOs and the localized MOs. For CASSCF wave functions, localization is done independently in the space of occupied orbitals and active orbitals, whereas, the space of virtual orbitals is mostly uninteresting. Localization of Hartree–Fock or Kohn–Sham density functional theory orbitals is not straightforward; rather, it needs careful consideration, because in this case some virtual orbitals are needed but the space of virtual orbitals depends on the basis sets used and causes considerable problems due to the diffuse character of most virtual orbitals. © 2012 Wiley Periodicals, Inc.
Placevent: An algorithm for prediction of explicit solvent atom distribution—Application to HIV‐1 protease and F‐ATP synthase
Authors: Sindhikara Daniel J. , Yoshida Norio , Hirata Fumio
Published: April 2012

We have created a simple algorithm for automatically predicting the explicit solvent atom distribution of biomolecules. The explicit distribution is coerced from the three‐dimensional (3D) continuous distribution resulting from a 3D reference interaction site model (3D‐RISM) calculation. This procedure predicts optimal location of solvent molecules and ions given a rigid biomolecular structure and the solvent composition. We show examples of predicting water molecules near the KNI‐272 bound form of HIV‐1 protease and predicting both sodium ions and water molecules near the rotor ring of F‐adenosine triphosphate (ATP) synthase. Our results give excellent agreement with experimental structure with an average prediction error of 0.39–0.65 Å. Further, unlike experimental methods, this method does not suffer from the partial occupancy limit. Our method can be performed directly on 3D‐RISM output within minutes. It is extremely useful for examining multiple specific solvent–solute interactions, as a convenient method for generating initial solvent structures for molecular dynamics calculations, and may assist in refinement of experimental structures. © 2012 Wiley Periodicals, Inc.
Radiosynthesis of a 125I analog of a highly selective alpha3beta4 nicotinic acetylcholine receptor antagonist ligand for use in autoradiography studies
Authors: Jiang Faming , Bupp James , Rhee Sung , Toll Lawrence , Zaveri Nurulain T.
Published: April 2012

The α3β4 subtype of the nicotinic acetylcholine receptors (nAChR) is present in limited but specific areas of the brain unlike the widely distributed α4β2 nAChR subtype, known to be involved in the addictive effects of nicotine. Recently, the α3β4 nAChR subtype has been linked to addiction to nicotine as well as other drugs of abuse. However, there have been no subtype‐selective α3β4 nAChR ligands available to study the role of this receptor in drug addiction. Our laboratory has discovered a series of very high affinity and highly selective ligands for the α3β4 nAChR subtype. We now report the synthesis of a radiolabeled 125I analog of N‐(2‐iodophenyl)‐9‐methyl‐9‐azabicyclo[3.3.1]nonan‐3‐amine (AT‐1012), a subnanomolar affinity, highly selective α3β4 nAChR ligand from this series. This analog, [125I] AT‐1012, was synthesized by a facile radio‐iodination of a tributylstannylated precursor, which gave the radiolabeled compound with high specific activity and radiochemical purity. This high‐affinity radioactive α3β4 nAChR antagonist is very useful as a pharmacological tool in autoradiography studies, to elucidate the localization of the α3β4 nAChR in the brain and study its pharmacology in the brain reward circuit. Copyright © 2012 John Wiley & Sons, Ltd.
Synthesis of stable isotope‐labeled metabolites of asenapine
Authors: Kuethe Jeffrey T.
Published: April 2012

The stable isotope‐labeled synthesis of four of the major metabolites of asenapine is described. The synthesis of [13CD3]‐asenapine N‐oxide proceeded in two synthetic steps. Preparation of [13CD3]‐asenapine 11‐hydroxysulfate and [13C6]‐N‐desmethylasenapine paralleled established synthetic protocols with effective utilization of labeled precursors. The synthesis of [13CD3]‐asenapine N+‐glucuronide was achieved in three chemical steps followed by purification.
Inside needle capillary adsorption trap device for headspace solid‐phase dynamic extraction based on polyaniline/hexagonally ordered silica nanocomposite
Authors: Gholivand Mohammad Bagher , Abolghasemi Mir Mahdi
Published: April 2012

Highly porous polyaniline/hexagonally ordered silica sorbent was used for fabrication of the inside needle capillary adsorption trap (INCAT) device. Polyaniline/SBA‐15 nanocomposite was synthesized via chemical polymerization technique. The fabricated INCAT device was evaluated to the extraction of some polycyclic aromatic hydrocarbons (PAHs) from aqueous sample solutions in combination with gas chromatography (GC)–mass spectrometry (MS). A one at‐the‐time optimization strategy was applied for optimizing the important extraction parameters such as extraction temperature, extraction time, ionic strength, sampling flow rate, desorption time, and desorption temperature. In optimum conditions (extraction temperature 55°C, extraction time 20 min, ionic strength 20% (w/v), flow rate 4.5 mLmin−1, desorption temperature 270°C, desorption time 3 min) the repeatability for one INCAT device (n = 4), expressed as relative standard deviation, was between 4.2 and 10.2% for the tested compounds. The quantitation limits for the studied compounds were between 1 and 5 pgmL−1. The developed method was successfully applied to spring water sample which was spiked with PAHs with the relative recovery percentages of 87.3–109.1%. The developed method offers the advantage of being simple to use, with shorter analysis times, lower cost of equipment, and thermal stability.
Ultra‐high pressure LC determination of glucosamine in shrimp by‐products and migration tests of chitosan films
Authors: Sanches‐Silva Ana , Ribeiro Tiago , Albuquerque Tânia G. , Paseiro Perfecto , Sendón Raquel , de Quirós Ana Bernaldo , López‐Cervantes Jaime , Sánchez‐Machado Dalia I. , Valdez Herlinda Soto , Angulo Inmaculada , Aurrekoetxea Goizane P. , Costa Helena S.
Published: April 2012

Chitosan, a multiple applications molecule, was isolated from shrimp by‐products by fermentation. The amount of chitosan in the solid fraction of the fermented extract was measured after its conversion in the respective glucosamine units. The procedure includes an acid hydrolysis (110°C, 4 h with HCl 8 M) and a derivatization with 9‐fluorenylmethyl chloroformate (Fmoc‐Cl). Ultra‐high‐pressure liquid chromatography method was developed and optimized. Excellent peaks resolution was achieved in just 10 min. The method was evaluated in what concerns to validation parameters such as linearity, repeatability, quantification limit, and recovery. Migration tests of films prepared with chitosan were carried out in two simulants: ultrapure water and ethanol 95% (v/v).
A new solid‐phase extraction and HPLC method for determination of patulin in apple products and hawthorn juice in China
Authors: Zhou Yuchun , Kong Weijun , Li Yan , Logrieco Antonio F. , Xu Jun , Yang Meihua
Published: April 2012

A new solid‐phase extraction (SPE) pretreatment method using a home‐made polyvinylpolypyrrolidone‐florisil (PVPP‐F) column was developed for the analysis of patulin in apple and hawthorn products in China. Fifty samples (25 apple juices, 12 apple jams, and 13 hawthorn juices) were prepared using the new method and then analyzed by high performance liquid chromatography with diode array detection (HPLC‐DAD) on an Agela Venusil MP C18 reversed‐phase column (4.6 mm × 250 mm, 5 μm). The cleanup results for all samples using home‐made PVPP‐F column were compared with those obtained using a MycoSep®228 AflaPat column. The correlation coefficient R (0.9998) fulfilled the requirement of linearity for patulin in the concentration range of 2.5–250 μg/kg. The limits of detection (LODs) and quantification (LOQs) of patulin were 3.99 and 9.64 μg/kg for PVPP‐F column, and 3.56 and 8.07 μg/kg for MycoSep®228 AflaPat column, respectively. Samples were spiked with patulin at levels ranging from 25 to 250 μg/kg, and recoveries using PVPP‐F and MycoSep®228 AflaPat columns were in the range of 81.9–100.9% and 86.4–103.9%, respectively. Naturally occurring patulin was found in 2 of 25 apple juice samples (8.0%) and 1 of 13 hawthorn juice samples (7.7%) at concentrations ranging from 12.26 to 36.81 μg/kg. The positive results were further confirmed by liquid chromatography electrospray ionization mass spectrometry (LC‐ESI‐MS).
Analysis of quinolones by voltage‐assisted liquid‐phase microextraction combined with LC‐MS
Authors: Wang Mi‐Hung , Wang Shu‐Ping
Published: April 2012

The method of liquid‐phase microextraction assisted with voltage was developed and applied on determination of quinolones in water sample in this study. Both of the reproducibility and extraction time were improved with the aid of applying voltage. Four analytes in neutral state such as cinoxacin, oxolinic acid, nalidixic acid, and flumequine were extracted from a sample solution at pH 2.0, through a polypropylene hollow fiber which was immobilized with 2‐octanone, and then into a 25 μL of the acceptor phase of 40 mM borate buffer at pH 10.0 by applying voltage of 100 V. Subsequently, the acceptor solution was directly subjected to analysis by LC‐MS. The performance of the method for four quinolones was also evaluated. Linearity was obtained in the range of 1.0–25.0 ng/mL with R2 > 0.996. Limits of detection were below 0.6 ng/mL, and recoveries of water sample were ranged from 90.8 to 109.6%.
PTSD symptoms as risk factors for intimate partner violence revictimization and the mediating role of victims' violent behavior
Authors: Kuijpers Karlijn F. , van der Knaap Leontien M. , Winkel Frans Willem
Published: April 2012

Apart from being a consequence of intimate partner violence (IPV), posttraumatic stress disorder (PTSD) can also be a risk factor for IPV revictimization. The current study examined how each of 4 PTSD symptom clusters (reexperiencing, arousal, avoidance, and numbing) related to revictimization in a sample of 156 female help‐seeking victims of IPV, recruited from various victim support services in the Netherlands. In addition, we hypothesized that victim‐perpetrated IPV would mediate the relation between PTSD symptomatology and IPV revictimization. Our results show that victims' PTSD reexperiencing symptoms predict revictimization of partner violence (d = .45 for physical IPV revictimization; d = .35 for psychological IPV revictimization); the other 3 PTSD symptom clusters were not related to IPV revictimization. Furthermore, victim‐perpetrated psychological IPV was found to partially mediate the relation between victims' PTSD reexperiencing symptoms and IPV revictimization (Z = 2.339, SE = 0.044, p = .019 for physical IPV revictimization, and Z = 2.197, SE = 0.038, p = .028 for psychological IPV revictimization). Findings indicate that IPV victims with higher levels of PTSD reexperiencing symptoms may be more likely to perpetrate psychological IPV themselves, which may put them at greater risk for receiving IPV in return. Based on these results, a focus on individual PTSD symptom clusters and victim behaviors seems relevant for practice and may contribute to a decrease in victims' risk for future IPV.
Trauma‐related guilt and posttraumatic stress among journalists
Authors: Browne Tess , Evangeli Michael , Greenberg Neil
Published: April 2012

This study explored the psychological impact of exposure to work‐related trauma among journalists. It was hypothesised that positive associations would exist between (a) exposure and PTSD symptoms, (b) exposure and guilt cognitions, and (c) guilt cognitions and PTSD symptoms, and that the relationship between exposure and PTSD symptoms would be mediated by guilt cognitions. The sample consisted of 50 journalists (response rate = 15%), who had recently been exposed to work‐related trauma. They were predominantly male, aged 40 years or older, well‐educated, and most had worked in journalism for at least 15 years. Participants completed an online questionnaire that explored their work‐related experiences of trauma, PTSD symptoms, and trauma‐related guilt cognitions. The findings showed that higher levels of exposure to work‐related trauma were significantly associated with higher levels of PTSD symptoms (r = .36) and trauma‐related guilt cognitions (r = .29). Guilt cognitions were significantly and positively independently associated with PTSD symptoms (r = .12) and were consistent with partial mediation of relationship between exposure to work‐related trauma and PTSD symptoms. This study provides greater insight into the psychological processing of work‐related traumatic events among journalists and emphasizes the importance of posttrauma appraisals of guilt regarding their experiences.
PTSD symptom structure among West African War trauma survivors living in African refugee camps: A factor‐analytic investigation
Authors: Vinson Gregory A. , Chang Zoua
Published: April 2012

We examined the factor structure of measured posttraumatic stress disorder (PTSD) symptoms in a sample of West African civilian refugees who had fled the civil war in Sierra Leone between 2001 and 2006. Given that such war‐affected populations are common but understudied in trauma research, our objective was to examine the similarities and differences in this factor structure compared to prevailing models of PTSD symptom structure. As part of treatment services provided in refugee camps, refugees (2,140 women, 1,662 men, 1 unknown) from Sierra Leone, Liberia, and Guinea completed the 17 symptoms portion of the Posttraumatic Stress Diagnostic Scale (PDS). We used exploratory and confirmatory factor analyses to investigate whether there was a factor structure unique to this population, and made comparisons with the numbing, dysphoria, and aroused intrusion models. Results from the confirmatory analyses showed that the dysphoria model best fit the data (root mean square error of approximation [RMSEA] = .062); however, exploratory analyses revealed that 3 items loaded differently than theoretically expected. Psychological distress cross‐loaded on reexperiencing and avoidance factors and physiological reactivity loaded on the avoidance factor instead of the reexperiencing factor. The sleep difficulties item was not well explained, generally; the highest loading (λ = .22) was on the dysphoria factor.
Guidelines for peer support in high‐risk organizations: An international consensus study using the delphi method
Authors: Creamer Mark C. , Varker Tracey , Bisson Jonathan , Darte Kathy , Greenberg Neil , Lau Winnie , Moreton Gill , O'Donnell Meaghan , Richardson Don , Ruzek Joe , Watson Patricia , Forbes David
Published: April 2012

Despite widespread adoption of peer‐support programs in organizations around the world whose employees are at high risk of exposure to potentially traumatic incidents, little consensus exists regarding even the most basic concepts and procedures for these programs. In this article, consensus refers to a group decision‐making process that seeks not only agreement from most participants, but also resolution of minority objections. The aim of the current study was to develop evidence‐informed peer‐support guidelines for use in high‐risk organizations, designed to enhance consistency around goals and procedures and provide the foundation for a systematic approach to evaluation. From 17 countries, 92 clinicians, researchers, and peer‐support practitioners took part in a 3‐round web‐based Delphi process rating the importance of statements generated from the existing literature. Consensus was achieved for 62 of 77 (81%) statements. Based upon these, 8 key recommendations were developed covering the following areas: (a) goals of peer support, (b) selection of peer supporters, (c) training and accreditation, (d) role of mental health professionals, (e) role of peer supporters, (f) access to peer supporters, (g) looking after peer supporters, and (h) program evaluation. This international consensus may be used as a starting point for the design and implementation of future peer‐support programs in high‐risk organizations.
The Influence of combat and interpersonal trauma on PTSD, depression, and alcohol misuse in U.S. Gulf War and OEF/OIF women veterans
Authors: Hassija Christina M. , Jakupcak Matthew , Maguen Shira , Shipherd Jillian C.
Published: April 2012

The present study evaluated the impact of combat and interpersonal trauma exposure in a sample of 115 U.S. women veterans from Gulf War I and the Iraq and Afghanistan wars on 3 postdeployment trauma‐related mental health outcomes: posttraumatic stress disorder symptoms (PSS), depressive symptom severity (DSS), and alcohol misuse. Patients presenting for healthcare services at a Veterans Affairs postdeployment health specialty clinic completed screening questionnaires that assessed combat exposure, lifetime interpersonal trauma history of childhood neglect, physical, or sexual abuse, and adult sexual and physical assault. In a regression model, combat exposure was the only significant independent variable associated with PSS, DSS, and alcohol misuse (β = .42, .27 and B = 1.58, respectively) even after adding lifetime interpersonal assault exposure to the model. Results highlight the negative effects of combat exposure on treatment‐seeking women veterans' postdeployment mental health. Incorporating combat exposure into routine screening procedures for Gulf War and Iraq and Afghanistan war women veterans can aid in mental health treatment planning.
An examination of PTSD symptoms and relationship functioning in U.S. soldiers of the Iraq War over time
Authors: Erbes Christopher R. , Meis Laura A. , Polusny Melissa A. , Compton Jill S. , Wadsworth Shelley MacDermid
Published: April 2012

We examined associations between overall posttraumatic stress disorder (PTSD) symptoms, symptom clusters of PTSD (reexperiencing, avoidance, dysphoria, and arousal), and relationship adjustment cross sectionally and longitudinally using self‐report measures from a dyadic sample of U.S. National Guard soldiers from the Iraq war and their intimate partners (N = 49 couples). Results of multilevel modeling revealed that Time 1 PTSD symptom severity significantly predicted lower relationship adjustment as rated by partners at Time 2 after controlling for baseline relationship adjustment (β = −.20, p = .025). Total PTSD symptoms did not significantly predict soldiers' ratings of relationship adjustment at Time 2. For soldiers, the PTSD symptom cluster of dysphoria was uniquely and significantly related to relationship adjustment ratings both at Time 1 and at Time 2, controlling for Time 1 adjustment. For partners, none of the soldiers' PTSD symptoms clusters was uniquely associated with Time 1 relationship adjustment or with change in adjustment over time. In contrast, findings regarding the effect of relationship adjustment on changes in PTSD over time found that Time 1 relationship adjustment was not associated with changes in PTSD symptoms at Time 2.
Competitive double bond isomerization kinetics of 1‐dodecene and 11‐dococene on Amberlyst® 15
Authors: Gee Jeffrey C. , Williams Shawn
Published: April 2012

We followed the concurrent double bond isomerizations of 1‐dodecene (C12 NAO) and 11‐dococene (C22 IO) on Amberlyst® 15 at 90°C, observing the movement of the double bond from the middle of a C22 chain to its end and the movement of the double bond from the end of a C12 chain to its middle. Double bond migration was stepwise for both chains, and the kinetics were consistent with a common isomerization rate for all olefins of the same chain length, regardless of location of the double bond. Internal dodecenes isomerized 1.35 times faster than internal dococenes, suggesting a higher adsorption coefficient for dodecenes than for dococenes onto Amberlyst® 15 at 90°C. © 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 745–752, 2012
A nomenclature paradigm for benign midmembranous vocal fold lesions
Authors: Rosen Clark A. , Gartner‐Schmidt Jackie , Hathaway Bridget , Simpson C. Blake , Postma Gregory N. , Courey Mark , Sataloff Robert T.
Published: April 2012

Objectives/Hypothesis:

There is a significant lack of uniform agreement regarding nomenclature for benign vocal fold lesions (BVFLs). This confusion results in difficulty for clinicians communicating with their patients and with each other. In addition, BVFL research and comparison of treatment methods are hampered by the lack of a detailed and uniform BVFL nomenclature.

Study Design:

Clinical consensus conferences were held to develop an initial BVFL nomenclature paradigm. Perceptual video analysis was performed to validate the stroboscopy component of the paradigm.

Methods:

The culmination of the consensus conferences and the video‐perceptual analysis was used to evaluate the BVFL nomenclature paradigm using a retrospective review of patients with BVFL.

Results:

An initial BVFL nomenclature paradigm was proposed utilizing detailed definitions relating to vocal fold lesion morphology, stroboscopy, response to voice therapy and intraoperative findings. Video‐perceptual analysis of stroboscopy demonstrated that the proposed binary stroboscopy system used in the BVFL nomenclature paradigm was valid and widely applicable. Retrospective review of 45 patients with BVFL followed to the conclusion of treatment demonstrated that slight modifications of the initial BVFL nomenclature paradigm were required. With the modified BVFL nomenclature paradigm, 96% of the patients fit into the predicted pattern and definitions of the BVFL nomenclature system.

Conclusions:

This study has validated a multidimensional BVFL nomenclature paradigm. This vocal fold nomenclature paradigm includes nine distinct vocal fold lesions: vocal fold nodules, vocal fold polyp, pseudocyst, vocal fold cyst (subepithelial or ligament), nonspecific vocal fold lesion, vocal fold fibrous mass (subepithelial or ligament), and reactive lesion.
Contrast‐enhanced ultrasound for monitoring effects of extracorporeal shock wave sialolithotripsy in sialolithiasis
Authors: Siedek Vanessa , Clevert Dirk‐André , Rytvina Margarita , Ihrler Stephan , Klotz Laura V. , Berghaus Alexander , Strieth Sebastian
Published: April 2012

Objectives/Hypothesis:

Contrast‐enhanced ultrasound (CE‐US) can be used for noninvasive analysis of functional vascularization. Chronically recurrent sialadenitis due to sialolithiasis of the submandibular gland is associated with increased vascularity. The aim of this investigator‐initiated clinical trial was the evaluation of CE‐US as a quantitative monitoring technique during gland‐preserving extracorporeal shock wave sialolithotripsy (ESWL).

Study Design:

In this prospective clinical evidence level 2c study, perfusion in patients (n = 10) with unilateral sialolithiasis of the submandibular gland was quantitatively analyzed using CE‐US before and after ESWL, comparing with the respective contralateral gland.

Methods:

Before CE‐US measurements, a subjective clinical score of complaints (range, 1–10) was documented. The contrast agent SonoVue was injected into a cubital vein. The intensity–time curve gradients (ITGs) were calculated from CE‐US data.

Results:

The ITGs derived from CE‐US measurements revealed higher perfusion in the affected submandibular gland compared to the contralateral side. In parallel to clinical complaints, parametric CE‐US data were significantly reduced after ESWL in chronic sialolithiasis‐associated sialadenitis.

Conclusions:

CE‐US–derived ITGs appear to be an independent and quantitative marker for treatment effects of ESWL. Clinical experience and further studies will have to validate this method as a diagnostic tool to decide especially whether to proceed to sialoadenectomy in therapy‐refractory cases.
Enhancing the Activity and Thermal Stability of Iron Precatalysts Using 2‐(1‐{2,6‐bis[bis(4‐fluorophenyl)methyl]‐4‐methylphenylimino}ethyl)‐6‐[1‐(arylimino)ethyl]pyridines
Authors: Sun Wen‐Hua , Zhao Weizhen , Yu Jiangang , Zhang Wenjuan , Hao Xiang , Redshaw Carl
Published: April 2012

A series of 2‐(1‐{2,6‐bis[bis(4‐fluorophenyl)methyl]‐4‐methylphenylimino}ethyl)‐6‐ [1‐(arylimino)ethyl]pyridine ligands is synthesized and fully characterized. The corresponding iron complexes are prepared and characterized by single‐crystal X‐ray diffraction for representative iron complexes, among other methods, revealing a pseudo square‐pyramidal geometry at the iron center. Upon activation with MMAO, all iron precatalysts exhibit high activity in ethylene polymerization, producing linear polyethylene. The observed activity is the highest reported for iron‐based precatalysts of this type. The polymerization parameters are shown to strongly affect the catalytic behavior, and both the activity and the polymer properties (i.e. $ \overline{M}_{\rm w}$ or $ \overline{M}_{\rm w}$/$ \overline{M}_{\rm n}$) can be controlled.
Adaptive Organic Nanoparticles of a Teflon‐Coated Iron (III) Porphyrin Catalytically Activate Dioxygen for Cyclohexene Oxidation
Authors: Aggarwal Amit , Singh Sunaina , Samson Jacopo , Drain Charles Michael
Published: April 2012

Self‐organized organic nanoparticles (ONP) are adaptive to the environmental reaction conditions. ONP of fluorous alkyl iron(III) porphyrin catalytically oxidize cyclohexene to the allylic oxidation products. In contrast, the solvated metalloporphyrin yields both allylic oxidation and epoxidation products. The ONP system facilitates a greener reaction because about 89% reaction medium is water, molecular oxygen is used in place of synthetic oxidants, and the ambient reaction conditions used require less energy. The enhanced catalytic activity of these ONP is unexpected because the metalloporphyrins in the nanoaggregates are in the close proximity and the TON should diminish by self‐oxidative degradation. The fluorous alkyl chain stabilizes the ONP toward self‐oxidative degradation.
Propagation Rate Coefficients for Homogeneous Phase VDF–HFP Copolymerization in Supercritical CO2
Authors: Siegmann Rebekka , Möller Eléonore , Beuermann Sabine
Published: April 2012

For the first time, propagation rate coefficients, kp,COPO, for the copolymerizations of vinylidene fluoride and hexafluoropropene have been determined. The kinetic data was determined via pulsed‐laser polymerization in conjunction with polymer analysis via size‐exclusion chromatography, the PLP‐SEC technique. The experiments were carried out in homogeneous phase with supercritical CO2 as solvent for temperatures ranging from 45 to 90 °C. Absolute polymer molecular weights were calculated on the basis of experimentally determined Mark–Houwink constants. The Arrhenius parameters of kp,COPO vary significantly compared with ethene, which is explained by the high electronegativity of fluorine and less intra‐ and intermolecular interactions between the partially fluorinated macroradicals.
A numerical scheme for solutions of the Chen system
Authors: Yüzbaşı Şuayip
Published: April 2012

In this paper, we will develop the Bessel collocation method to find approximate solutions of the Chen system, which is a three‐dimensional system of ODEs with quadratic nonlinearities. This scheme consists of reducing the problem to a nonlinear algebraic equation system by expanding the approximate solutions by means of the Bessel polynomials with unknown coefficients. By help of the collocation points and the matrix operations of derivatives, the unknown coefficients of the Bessel polynomials are calculated. The accuracy and efficiency of the proposed approach are demonstrated by two numerical examples and performed with the aid of a computer code written in MAPLE. In addition, comparisons between our method and the homotopy perturbation method numerical solutions are made with the accuracy of solutions. Copyright © 2012 John Wiley & Sons, Ltd.
Using Krylov‐Padé model order reduction for accelerating design optimization of structures and vibrations in the frequency domain
Authors: Yue Yao , Meerbergen Karl
Published: April 2012

In many engineering problems, the behavior of dynamical systems depends on physical parameters. In design optimization, these parameters are determined so that an objective function is minimized. For applications in vibrations and structures, the objective function depends on the frequency response function over a given frequency range, and we optimize it in the parameter space. Because of the large size of the system, numerical optimization is expensive. In this paper, we propose the combination of Quasi‐Newton type line search optimization methods and Krylov‐Padé type algebraic model order reduction techniques to speed up numerical optimization of dynamical systems. We prove that Krylov‐Padé type model order reduction allows for fast evaluation of the objective function and its gradient, thanks to the moment matching property for both the objective function and the derivatives towards the parameters. We show that reduced models for the frequency alone lead to significant speed ups. In addition, we show that reduced models valid for both the frequency range and a line in the parameter space can further reduce the optimization time. Copyright © 2012 John Wiley & Sons, Ltd.
Crisis leadership styles—Bligh versus Gillard: a content analysis of Twitter posts on the Queensland floods
Authors: de Bussy Nigel Martin , Paterson Ann
Published: April 2012

This paper presents a quantitative and qualitative content analysis of Twitter posts mentioning Queensland Premier Anna Bligh and Australian Prime Minister Julia Gillard during the 2011 Queensland flood crisis. The contrast in the perceived styles of the two leaders is analysed using the theory of transformational leadership as a framework. The implications for effective leadership communication in a crisis are discussed, notably, strategies for instilling pride and gaining respect and trust. The study also highlights the emerging role of Twitter in setting the media agenda at times of fast‐breaking news. Copyright © 2012 John Wiley & Sons, Ltd.
Green lobbying: is sustainability more than a new frame for old‐style lobbying? A consultant's personal point of view
Authors: Köppl Peter
Published: April 2012

Framing and spinning are vital to effective public affairs. This could be one out of several reasons why sustainability is being instrumented heavily for public affairs measures. Because in a broad but common understanding, all efforts of corporate social responsibility are a critical strategy to influence political decision making and the stakeholders' actions and reactions relevant to a company. In a populist understanding, sustainability is simply a good thing all together. And that is where politics comes in: many politician are trying to use “sustainability” to better sell their ideas to the media and the public. Therefore public affairs and lobbying have definitely gone greener to meet the politicians' expectations. Critics might say that this is about green washing or mainstreaming the basic concept of sustainability. But it is also true that by doing so, companies where able to bring this issue to a prominent spot on the politicians' agenda.
Non‐invasive prenatal diagnosis of beta‐thalassemia and sickle‐cell disease using pyrophosphorolysis‐activated polymerization and melting curve analysis
Authors: Phylipsen Marion , Yamsri Supawadee , Treffers Emmely E. , Jansen Diahann T. S. L. , Kanhai Warsha A. , Boon Elles M. J. , Giordano Piero C. , Fucharoen Supan , Bakker Egbert , Harteveld Cornelis L.
Published: April 2012

Objective

The aim of this study was to develop a pyrophosphorolysis‐activated polymerization (PAP) assay for non‐invasive prenatal diagnosis (NIPD) of β‐thalassemia major and sickle‐cell disease (SCD). PAP is able to detect mutations in free fetal DNA in a highly contaminating environment of maternal plasma DNA.

Methods

Pyrophosphorolysis‐activated polymerization primers were designed for 12 informative SNPs, genotyped by melting curve analysis (MCA) in both parents. The PAP assay was tested in a series of 13 plasma DNA samples collected from pregnant women. A retrospective NIPD was performed in a couple at risk for SCD.

Results

All PAP reactions were optimized and able to detect <3% target gDNA in a background of >97% wildtype gDNA. In all 13 cases, the paternal allele was detected by PAP in maternal plasma at 10 to 18 weeks of gestation. For the couple at risk, PAP showed presence of the normal paternal SNP allele in maternal plasma, which was confirmed by results of the chorionic villus sampling analysis.

Conclusions

In contrast to other methods used for NIPD, the combined PAP and MCA analysis detecting the normal paternal allele is also applicable for couples at risk carrying the same mutation, provided that a previously born child is available for testing to determine the linkage to the paternal SNPs. © 2012 John Wiley & Sons, Ltd.
3‐year prevalence of alcohol‐related disorders in German patients treated with high‐potency opioids
Authors: Jobski Kathrin , Schmid Ulrike , Behr Sigrid , Andersohn Frank , Garbe Edeltraut
Published: April 2012

Purpose

In November 2010, the European Medicines Agency's Committee for Medicinal Products for Human Use completed a review of the safety and effectiveness of modified‐release oral high‐potency opioids (HPO). The reason for this referral procedure was the concern that some of these controlled‐release systems may be unstable when co‐ingested with alcohol and that the active substance would be released too quickly. The aim of this study was to estimate the prevalence of alcohol‐related disorders (ARD) in German patients treated with HPO approved for pain therapy.

Methods

The source of data was the German Pharmacoepidemiological Research Database including more than 14 million members of four statutory health insurances. The age and sex standardized 3‐year prevalence of ARD in patients treated with any type of HPO and in patients receiving modified‐release oral HPO was compared with the prevalence of ARD in the general population excluding HPO‐treated patients.

Results

The age and sex standardized prevalence of ARD was significantly higher in patients treated with any type of HPO (5.5%, 95%confidence interval [CI]: 5.2%–5.9%) or with modified‐release HPO (5.4%, 95%CI: 4.8%–5.9%) than in persons belonging to the general population (2.2%, 95%CI: 2.2–2.2%).

Conclusions

Interactions with alcohol in patients receiving modified‐release HPO may be of relevance in a substantial number of patients. Physicians should be aware of this potentially dangerous interaction. Copyright © 2012 John Wiley & Sons, Ltd.
Dynamic protein composition of Arabidopsis thaliana cytosolic ribosomes in response to sucrose feeding as revealed by label free MSE proteomics
Authors: Hummel Maureen , Cordewener Jan H. G. , de Groot Joost C. M. , Smeekens Sjef , America Antoine H. P. , Hanson Johannes
Published: April 2012

Cytosolic ribosomes are among the largest multisubunit cellular complexes. Arabidopsis thaliana ribosomes consist of 79 different ribosomal proteins (r‐proteins) that each are encoded by two to six (paralogous) genes. It is unknown whether the paralogs are incorporated into the ribosome and whether the relative incorporation of r‐protein paralogs varies in response to environmental cues. Immunopurified ribosomes were isolated from A. thaliana rosette leaves fed with sucrose. Trypsin digested samples were analyzed by qTOF‐LC‐MS using both MSE and classical MS/MS. Peptide features obtained by using these two methods were identified using MASCOT and Proteinlynx Global Server searching the theoretical sequences of A. thaliana proteins. The A. thaliana genome encodes 237 r‐proteins and 69% of these were identified with proteotypic peptides for most of the identified proteins. These r‐proteins were identified with average protein sequence coverage of 32% observed by MSE. Interestingly, the analysis shows that the abundance of r‐protein paralogs in the ribosome changes in response to sucrose feeding. This is particularly evident for paralogous RPS3aA, RPS5A, RPL8B, and RACK1 proteins. These results show that protein synthesis in the A. thaliana cytosol involves a heterogeneous ribosomal population. The implications of these findings in the regulation of translation are discussed.
Literature review on superhydrophobic self‐cleaning surfaces produced by electrospinning
Authors: Sas Iurii , Gorga Russell E. , Joines Jeff A. , Thoney Kristin A.
Published: April 2012

Self‐cleaning surface is potentially a very useful addition for many commercial products due to economic, aesthetic, and environmental reasons. Super‐hydrophobic self‐cleaning, also called Lotus effect, utilizes right combination of surface chemistry and roughness to force water droplets to form high contact angle on a surface, easily roll off a surface and pick up dirt particles on its way. Electrospinning is a promising technique for creation of superhydrophobic self‐cleaning surfaces owing to a wide set of parameters that allow effectively controlling roughness of resulted webs. This article gives a brief introduction to the theory of super‐hydrophobic self‐cleaning and basic principles of the electrospinning process and reviews the scientific literature where electrospinning was used to create superhydrophobic surfaces. The article reviewed are categorized into several groups and their results are compared in terms of superhydrophobic properties. Several issues with current state of the art and highlights of important areas for future research are discussed in the conclusion. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012
Strategies for controlling the active layer morphologies in OPVs
Authors: Nagarjuna Gavvalapalli , Venkataraman Dhandapani
Published: April 2012

This review focuses on the recent developments in our understanding of active layer morphologies for organic photovoltaic cells and approaches to obtain active layer morphologies for high power conversion efficiencies. The evolution of active layer morphologies, as studied by high resolution electron microscopy, X‐ray and neutron scattering, and dynamic secondary ion mass spectrometry, is covered, along with strategies including the use of small molecule additives, polymer nanowires and polymer nanoparticles to realize active layer morphologies. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012