bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: K2CO3/NaI‐Induced Cyclization of ω‐Bromo α‐Cyano Ketones: A New Annulation Approach for the Formation of Carbalkoxycyclohexane Ring System.
Authors: Tu Che‐Hao , Shia Kak‐Shan , Kuo Sheng‐Chu , Liu Hsing‐Jang , Hsieh Min‐Tsang
Published: September 2012

The construction of various bicyclic systems is achieved using a two‐step sequence which involves Michael addition of lithium enolates (II) to cycloalkenones and subsequent cyclization of the resulting ω‐bromo‐α‐cyano ketones.
ChemInform Abstract: Synthesis of Sterically Hindered Ketones from Aldehydes via O‐Silyl Oximes.
Authors: Kim Joong‐Gon , Mishra Mithilesh Kumar , Jang Doo Ok
Published: September 2012

The process is highly efficient if alkyl iodides are used as the second substrate.
ChemInform Abstract: A Chiral Amino‐Naphthalene‐Derived Prolinamide Catalyst for the Enantioselective Michael Addition of Ketones to Nitroolefins.
Authors: Yu Chuanming , Zhang Ke , Shi Xiangjun
Published: September 2012

The chiral catalyst is synthesized from Cbz‐protected L‐proline and (S)‐1[amino(phenyl)methyl]naphthalen‐2‐ol.
ChemInform Abstract: Desymmetrization of Cyclohexadienones via D‐Camphor‐Derived Triazolium Salt Catalyzed Intramolecular Stetter Reaction.
Authors: Jia Min‐Qiang , You Shu‐Li
Published: September 2012

The title reaction affords highly functionalized tricyclic products (II) containing a quaternary stereogenic center in good yields and with high enantioselectivity.
ChemInform Abstract: Approach to Highly Functionalized Oxazolones by a Pd‐Catalyzed Cyclization of N‐Alkynyl tert‐Butyloxycarbamates.
Authors: Lu Zenghui , Xu Xiaowei , Yang Zhaozhen , Kong Lichun , Zhu Gangguo
Published: September 2012

The substrates are either treated under conditions A) to produce disubstituted pyrazolone structures or under conditions B) in the presence of allyl reagents to form trisubstituted derivatives.
ChemInform Abstract: Synthesis and Evaluation of Schiff Bases and 4‐Thiazolidinones as Antibacterial Agents.
Authors: Solankee Anjani N.
Published: September 2012

The newly synthesized Schiff bases (III) and thiazolidinones (V) are evaluated for their antibacterial activity against Gram‐positive and Gram‐negative strains.
ChemInform Abstract: A One‐Pot, Three‐Component Synthesis of Thiazolidine‐2‐thiones.
Authors: Ziyaei‐Halimehjani Azim , Marjani Katayoun , Ashouri Akram
Published: September 2012

A simple protocol allows the iodocyclization of allylamine, carbon disulfide, and iodine to afford 5‐iodomethyl‐thiazolidine‐2‐thiones.
ChemInform Abstract: Palladium‐Catalyzed Coupling of Pyrid‐4‐yl Nonaflates with Methyl Diazoacetate.
Authors: Eidamshaus Christian , Hommes Paul , Reissig Hans‐Ulrich
Published: September 2012

Optimized conditions are developed to give the corresponding pyridyl‐substituted diazoacetates.
ChemInform Abstract: Rapid, Clean and Efficient One‐Pot Synthesis of Thiopyrano[2,3‐b]quinolines via Domino Michael Addition/Cyclization Reactions.
Authors: Singh Bhawana , Chandra Atish , Asthana Mrityunjaya , Singh Radhey M.
Published: September 2012

The sequence proceeds smoothly and does not require dry solvent or inert atmosphere.
ChemInform Abstract: Synthesis of 5,6‐Disubstituted Thieno[2,3‐d]pyrimidines from 4‐Chloropyrimidines.
Authors: Kobayashi Kazuhiro , Suzuki Teruhiko , Kozuki Taketoshi , Matsumoto Naoki , Hiyoshi Hidetaka , Umezu Kazuto
Published: September 2012

The synthesis of thieno[2,3‐d]pyrimidines like (V) and (XII) involves introduction of a carbonyl group at position 5 of the pyrimidine ring, sulfuration at position 6, and subsequent cyclocondensation with alkyl bromides.
ChemInform Abstract: DDQ/TBHP‐Induced Oxidative Cyclization Process: A Metal‐Free Approach for the Synthesis of 2‐Phenylquinazolines.
Authors: Rachakonda Sridhar , Pratap P. Surya , Rao Mandava V. Basaveswara
Published: September 2012

A novel protocol is presented which starts from 2‐aminophenyl ketones and benzylamines via condensation and oxidative cyclization.
ChemInform Abstract: Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus‐Based Indenes, Indenones, Benzofurans, and Isochromenes.
Authors: Sajna K. V. , Swamy K. C. Kumara
Published: September 2012

Simple and efficient methods to prepare phosphorylated isochromenes, benzofurans, indenes, and indenones are reported.
ChemInform Abstract: Synthesis and Evaluation of 17α‐E‐20‐(Heteroaryl)norpregn‐1,3,5 (10),20‐tetraene‐3,17β‐diols [17α‐(Heteroaryl)vinyl Estradiols] as Ligands for the Estrogen Receptor‐α Ligand Binding Domain (ERα‐LBD).
Authors: Olmsted Sandra L. , Tongcharoensirikul Pakamas , McCaskill Emmett , Gandiaga Karla , Labaree David , Hochberg Richard B. , Hanson Robert N.
Published: September 2012

A series of 17α‐(heteroaryl)vinyl estradiols (III) is synthesized to evaluate the influence of heteroatom on the affinity and efficacy of estrogenic ligands for the estrogen receptor‐alpha ligand binding domain.
ChemInform Abstract: A New Series of N5 Derivatives of the 1,1,5‐Trimethyl Furo[3,4‐c]pyridine‐3,4‐dione (Cerpegin) Selectively Inhibits the Post‐Acid Activity of Mammalian 20S Proteasomes.
Authors: Pham The Hien , Hovhannisyan Anna , Bouvier Dominique , Tian Lei , Reboud‐Ravaux Michele , Melikyan Gagik , Bouvier‐Durand Michelle
Published: September 2012

A large series of N5‐derivatives of the pyridine alkaloid cerpegin [cf.
ChemInform Abstract: Properties, Structure and Reactivity of Cobaloximes
Authors: Dreos Renata , Geremia Silvano , Randaccio Lucio , Siega Patrizia
Published: September 2012

Review: 128 refs.
ChemInform Abstract: Phthalocyanines: A New Class of G‐Quadruplex‐Ligands with Many Potential Applications
Authors: Yaku Hidenobu , Fujimoto Takeshi , Murashima Takashi , Miyoshi Daisuke , Sugimoto Naoki
Published: September 2012

Review: 156 refs.
ChemInform Abstract: Evolution of Asymmetric Organocatalysis: Multi‐ and Retrocatalysis
Authors: Wende Raffael C. , Schreiner Peter R.
Published: September 2012

Review: [238 refs.]
ChemInform Abstract: Dynamic Asymmetric Organocatalysis: Cooperative Effects of Weak Interactions and Conformational Flexibility in Asymmetric Organocatalysts
Authors: Sohtome Yoshihiro , Nagasawa Kazuo
Published: September 2012

Review: 50 refs.
ChemInform Abstract: Preparation and Characterization of Catalysts for Clean Energy: A Challenge for X‐Rays and Electrons
Authors: Hocking Rosalie K. , Chang Shery L. Y. , MacFarlane Douglas R. , Spiccia Leone
Published: September 2012

Review: 62 refs.
ChemInform Abstract: Stability of Water Oxidation Catalysts: Challenges and Prospects
Authors: Izgorodin Alex , Winther‐Jensen Orawan , MacFarlane Douglas R.
Published: September 2012

Review: 40 refs.
ChemInform Abstract: In Search of a Treatment for HIV — Current Therapies and the Role of Non‐Nucleoside Reverse Transcriptase Inhibitors (NNRTIs).
Authors: Reynolds Chevonne , de Koning Charles B. , Pelly Stephen C. , van Otterlo Willem A. L. , Bode Moira L.
Published: September 2012

Review: 79 refs.
ChemInform Abstract: The Chemical Problem of Energy Change: Multi‐Electron Processes
Authors: Hughes Joseph L. , Krausz Elmars
Published: September 2012

Review: 59 refs.
ChemInform Abstract: Electrospinning versus Fibre Production Methods: From Specifics to Technological Convergence
Authors: Luo C. J. , Stoyanov Simeon D. , Stride E. , Pelan E. , Edirisinghe M.
Published: September 2012

Review: 292 refs.
ChemInform Abstract: Silicon‐Containing Polymer‐Derived Ceramic Nanocomposites (PDC‐NCs): Preparative Approaches and Properties
Authors: Ionescu Emanuel , Kleebe Hans‐Joachim , Riedel Ralf
Published: September 2012

Review: 74 refs.
ChemInform Abstract: Calculation of Magnetic Tensors and EPR Spectra for Free Radicals in Different Environments
Authors: Cimino Paola , Neese Frank , Barone Vincenco
Published: September 2012

Review: 81 refs.
Differences between Depression and Paranoia: The Role of Emotional Memories, Shame and Subordination
Authors: Pinto‐Gouveia José , Matos Marcela , Castilho Paula , Xavier Ana
Published: September 2012

The present study explores how emotional memories, shame and submissive behaviour in adulthood are differently related to depression and paranoia, in a sample of 255 subjects from the general community population.

Results show that emotional memories (especially, shame traumatic memory) are significantly correlated with external and internal shame. Emotional memories are significantly associated with submissive behaviour. Both types of shame are correlated with submissive behaviour, particularly internal shame. Emotional memories, external and internal shame are linked to depressive symptoms. Emotional memories, external and internal shame, and submissive behaviour are significantly related to paranoia.

Path analysis results suggested that (1) shame traumatic memory and recall of threat and submissiveness in childhood predicted depressive symptoms through external and internal shame; (2) early emotional memories of shame, threat and submissiveness predicted paranoid ideation both directly and indirectly, through external shame; and (3) emotional memories impact on paranoid ideation both through their effect upon external shame and also through their indirect effect upon submission, which in turn fully mediates the effect of internal shame upon paranoid ideation.

These findings highlight the differences between depression and paranoia. In depression, it is the internalization of early experiences of shame, threat and submissiveness that heighten the vulnerability to depressive states. In paranoia, not only shame traumas and recollections of threat and submissiveness directly influence paranoid beliefs but also these memories promote external and internal shame thoughts and feelings and submissive defenses, which in turn increase paranoid ideation. Copyright © 2012 John Wiley & Sons, Ltd.

Key Practitioner Message

Individuals with shame traumas, threat and submissiveness experiences in childhood and high levels of external and internal shame report more depressive symptoms.

High levels of paranoid beliefs are associated with high negative emotional memories, external and internal shame thoughts and feelings, and submissive behaviour defenses.

Therapy for depression needs to incorporate strategies that help individuals develop skills to deal with shame experiences and its outputs.

Treatment for paranoid ideation must address external and internal shame, as well as emotional memories of shame, threat and submissiveness in childhood and development of assertive skills.
Antibacterial Soybean‐Oil‐Based Cationic Polyurethane Coatings Prepared from Different Amino Polyols
Authors: Xia Ying , Zhang Zongyu , Kessler Michael R. , Brehm‐Stecher Byron , Larock Richard C.
Published: September 2012

Antibacterial soybean‐oil‐based cationic polyurethane (PU) coatings have been successfully prepared from five different amino polyols. The structure and hydroxyl functionality of these amino polyols affects the particle morphology, mechanical properties, thermal stability, and antibacterial properties of the resulting coatings. An increase in the hydroxyl functionality of the amino polyols increases the cross‐link density, resulting in an increased glass transition temperature and improved mechanical properties. Both the cross‐link density and the amount of ammonium cations incorporated into the PU backbone affect the thermal stability of PU films. PUs with the lowest ammonium cation content and highest cross‐link density exhibit the best thermal stability. With some strain‐specific exceptions, these PUs show good antibacterial properties toward a panel of bacterial pathogens comprised of Listeria monocytogenes NADC 2045, Salmonella typhimurium ATCC 13311 and Salmonella minnesota (S. minnesota) R613. S. minnesota R613 is a “deep rough” mutant lacking a full outer membrane (OM) layer, an important barrier structure in gram‐negative bacteria. With wild‐type strains, the PU coatings exhibit better antibacterial properties toward the gram‐positive Listeria monocytogenes than the gram‐negative S. minnesota. However, the coatings have excellent activity against S. minnesota R613, suggesting a protective role for an intact OM against the action of these PUs.
Analysis of anthropogenic pressures in the Segura Watershed (SE Spain), with a focus on inter‐basin transfer
Authors: Kroll Stefanie A , Ringler Neil H , De las Heras Jorge , Goméz‐Alday Juan José , Moratalla Angel , Briggs Russell D
Published: September 2012

To determine the effects of anthropogenic pressures on the ecology of rivers in the Segura Watershed, we examined stream physicochemistry and the macroinvertebrate community in relation to land use, flow regulation by reservoirs, and the Tajo‐Segura Inter‐basin Transfer. The inter‐basin transfer is thought to be the most important stressor because it affects the flow regime as well as water quality and quantity in an arid, typically water‐stressed environment. The concentrations of major ions were strongly impacted by agricultural and urban land uses and the inter‐basin transfer. There was a significant increase in conductivity and the concentrations of SO42− and other major ions downstream of the Tajo‐Segura Transfer. The macroinvertebrate community was less diverse and composed of more pollution‐tolerant taxa in areas affected by flow regulation and the inter‐basin transfer. The rivers of study are at risk for salinization because of inputs from land use and the Tajo‐Segura Transfer. Therefore, major ion and nutrient concentrations should be monitored. Currently, there is no limit specified for SO42− concentration in relation to aquatic ecosystem health in Spain. Measures are needed to reduce the effects of contamination and flow regulation to protect the aquatic ecosystem within the Segura Watershed. Copyright © 2012 John Wiley & Sons, Ltd.
Conjugated Polymers as Photoredox Catalysts: Visible‐Light‐Driven Reduction of Aryl Aldehydes by Poly(p‐phenylene)
Authors: Zhang Miao , Rouch William D. , McCulla Ryan D.
Published: September 2012

The use of visible light in photocatalysis has been intensively studied because of its natural abundance, ease of use, and promising potential for industrial applications. However, there are several challenges to utilizing visible light for organic functional group transformations. These challenges include the low absorptivity of most organic compounds in the visible spectrum, and side reactions are often prevalent in photochemical reactions. Visible‐light‐sensitive catalysts offer a means to overcome these obstacles. Conjugated polymers are semiconductors that offer a large range of redox potentials, they are stable, and they often absorb visible light. Despite these desirable properties for photocatalysis, only a limited number of organic reactions utilizing conjugated polymers as photocatalysts have been reported. In one such example, poly(p‐phenylene) was used to induce the pinacol coupling reaction of benzaldehyde upon irradiation with visible light. In this work, visible light, thiols, and poly(p‐phenylene) were employed to reduce aryl aldehydes to their respective alcohols to better characterize the reaction mechanisms of this system. The effects of varying reaction conditions on the rate of photocatalysis indicated interfacial electron transfer from the poly(p‐phenylene) surface to the substrate as the initial productive step. Additionally, the chemoselective reduction of aryl aldehydes over aryl ketones and alkyl aldehydes was achieved with this system.
Neurodegeneration, β‐amyloid and mood disorders: state of the art and future perspectives
Authors: Piccinni Armando , Origlia Nicola , Veltri Antonello , Vizzaccaro Chiara , Marazziti Donatella , Vanelli Federica , Moroni Ilenia , Domenici Luciano , Dell'Osso Liliana
Published: September 2012

Objective

Depression may increase the risk of developing Alzheimer's disease (AD). Recent studies have shown modifications in blood beta‐amyloid (Aβ) levels in depressed patients. This literature review examines the potential relationship between Aβ‐mediated neurotoxicity and pathophysiology of mood disorders.

Design

We conducted a review of the literature focusing on recent studies reporting alterations of plasma and serum Aβ peptides levels in patients suffering from mood disorders.

Results

Different data suggest that patients with mood disorders are at great risk of developing cognitive impairment and dementia. In particular, low plasma levels of Aβ42 peptide and a high Aβ40/Aβ42 ratio have been found in depressed patients. In addition, changes in Aβ protein levels in patients with mood disorders have been associated with the severity of cognitive impairment and correlated positively with the number of episodes and severity of illness course.

Conclusions

Given the intriguing association between change in plasma level of Aβ, depression and cognitive impairment, future work should focus on the relationship between Aβ peripheral level(s), biomarkers of neurodegeneration and development of dementia in patients affected by mood disorders. Copyright © 2012 John Wiley & Sons, Ltd.
Applicability of the MoCA‐S test in populations with little education in Colombia
Authors: Gómez F , Zunzunegui MV , Lord C , Alvarado B , García A
Published: September 2012

Objectives

The objectives of this study were to report on the use of the Spanish version of the Montreal Cognitive Assessment (MoCA‐S) as cognitive screening tool in a population aged 65 to 74 years in the Andes Mountains of Colombia, assessing the influence of education, and to examine its test–retest reliability.

Methods

We performed a cross‐sectional study of 150 subjects aged 65 to 74 years recruited from older community social centers in Manizales, Colombia. The Leganes Cognitive Test (LCT), a cognitive screening test for populations with low education, was used to exclude those who were likely to have dementia. The associations between the MoCA total score and cognitive domains and education were examined in the total sample and in those likely free of dementia. MoCA‐S test–retest reliability was estimated by the intraclass correlation coefficient (ICC) between two measurements taken 7 days apart.

Results

Participants had low levels of formal education (mean years of schooling, 4.8). According to the LCT, the proportion of people screening positive for dementia was 16% (n = 24). The mean MoCA‐S scores were 16.1/30 among illiterate subjects, 18.2/30 among those with incomplete primary school, and 20.3/30 among those with complete primary school (p < 0.001). Errors were frequent in the cube and clock drawing, attention‐serial subtraction, verbal fluency, and abstraction. Test–retest reliability was high, ICC = 0.86, 95% CI (0.76–0.93).

Conclusion

The MoCA‐S has high reliability in low‐educated older Colombians, but scores were strongly dependent on years of education. Social and cultural factors must be considered when interpreting MoCA‐S given the high error rates on items that depend on the ability to read and write and on culture. Copyright © 2012 John Wiley & Sons, Ltd.
A retrospective study of clinical usage of quetiapine XR and quetiapine IR in outpatients with schizophrenia in Denmark
Authors: Emborg Charlotte , Hallerbäck Teresa , Jörgensen Leif , Carlborg Andreas
Published: September 2012

Objectives

The atypical antipsychotic quetiapine is a first‐line treatment for schizophrenia. This non‐interventional study (NCT01212575) evaluated the clinical use of its two formulations, extended release (XR) and immediate release (IR), in outpatients with schizophrenia spectrum disorder.

Methods

Patients who had received at least one dose of quetiapine XR and/or IR were included. A dosage ≥400 mg/day was defined as antipsychotic. Medical records data were collected retrospectively.

Results

Of 186 enrolled patients, 99 (53%) and 87 (47%) received quetiapine XR and IR, respectively. Use in antipsychotic dosage was seen for 89% XR versus 63% IR patients (mean daily dose ≥400 mg/day; p < 0.0001). 75% XR and 53% IR patients used dosages ≥600 mg/day (p = 0.0019). Quetiapine XR was used at higher mean daily dosages than IR (748 vs 566 mg/day; p = 0.006). Forty‐three patients (23%) used both formulations concomitantly; 55 patients (30%) used either XR or IR. Quetiapine IR was used as‐needed in 44 patients (23%); one patient used XR as‐needed.

Conclusions

Quetiapine XR was used more often in higher (antipsychotic) dosages; quetiapine IR more frequently on an as‐needed administration basis. Concomitant use was seen. These findings probably reflect the different profiles of XR/IR and advocate the need for both formulations to offer treatment choice. Copyright © 2012 John Wiley & Sons, Ltd.
New basis sets for the evaluation of interaction‐induced electric properties in hydrogen‐bonded complexes
Authors: Baranowska‐Łączkowska Angelika , Fernández Berta , Zaleśny Robert
Published: September 2012

Interaction‐induced static electric properties, that is, dipole moment, polarizability, and first hyperpolarizability, of the CO(HF)n and N2(HF)n, n = 1–9 hydrogen‐bonded complexes are evaluated within the finite field approach using the Hartree–Fock, density functional theory, Møller–Plesset second‐order perturbation theory, and coupled cluster methods, and the LPol‐n (n = ds, dl, fs, fl) basis sets. To compare the performance of the different methods with respect to the increase of the complex size, we consider as model systems linear chains of the complexes. We analyze the results in terms of the many‐body and cooperative effects. © 2012 Wiley Periodicals, Inc.
Organizational predictors and health consequences of changes in burnout: A 12‐year cohort study
Authors: Leiter Michael P. , Hakanen Jari J. , Ahola Kirsi , Toppinen‐Tanner Salla , Koskinen Aki , Väänänen Ari
Published: September 2012

We investigated job burnout and job characteristics, including decision authority, skill discretion, predictability, and information flow, among Finnish forestry workers (N = 4356) in a longitudinal study. We linked these responses individually with data on the participants' subsequent prescriptions for psychotropic drugs including antidepressants. We aim to study the antecedents of changes in burnout levels over four years time and their health‐related consequences in an eight‐year follow‐up. The results showed that inconsistency among the levels of the Maslach Burnout Inventory subscales (e. g., high scores in exhaustion and low cynicism or vice versa) at baseline identified patterns that were prone to change in burnout four years later. Information flow predicted the direction of this change for the exhaustion and cynicism aspects of burnout, whereas skill discretion and predictability did so for reduced professional efficacy. Change toward burnout predicted future risk of psychotropic drug use. It seems that adverse changes in burnout are influenced by poor organizational resources, and change toward burnout is likely to elevate the risk of poor mental health. Copyright © 2012 John Wiley & Sons, Ltd.
Predicting retention in reverse‐phase liquid chromatography at different mobile phase compositions and temperatures by using the solvation parameter model
Authors: Gotta Javier , Keunchkarian Sonia , Castells Cecilia , Reta Mario
Published: September 2012

The prediction capability of the solvation parameter model in reverse‐phase liquid chromatography at different methanol‐water mobile phase compositions and temperatures was investigated. By using a carefully selected set of solutes, the training set, linear relationships were established through regression equations between the logarithm of the solute retention factor, logk, and different solute parameters. The coefficients obtained in the regressions were used to create a general retention model able to predict retention in an octadecylsilica stationary phase at any temperature and methanol‐water composition. The validity of the model was evaluated by using a different set (the test set) of 30 solutes of very diverse chemical nature. Predictions of logk values were obtained at two different combinations of temperature and mobile phase composition by using two different procedures: (i) by calculating the coefficients through a mathematical linear relationship in which the mobile phase composition and temperature are involved; (ii) by using a general equation, obtained by considering the previous results, in which only the experimental values of temperature and mobile phase composition are required. Predicted logk values were critically compared with the experimental values. Excellent results were obtained considering the diversity of the test set.
Simultaneous preconcentration and determination of 2,4‐D, alachlor and atrazine in aqueous samples using dispersive liquid–liquid microextraction followed by high‐performance liquid chromatography ultraviolet detection
Authors: Shamsipur Mojtaba , Fattahi Nazir , Pirsaheb Meghdad , Sharafi Kiomars
Published: September 2012

Dispersive liquid–liquid microextraction coupled with high‐performance liquid chromatography‐ultraviolet detection as a fast and inexpensive technique was applied to the simultaneous extraction and determination of traces of three common herbicides, 2,4‐D, alachlor and atrazine, in aqueous samples. The critical experimental parameters, including type of the extraction and disperser solvents as well as their volumes, sample pH, salt addition, extraction time and centrifuging time, and speed were investigated and optimized. Under the optimum conditions, the calibration graphs found to be linear in the range of 0.3–200 μg/L with limits of detection in the range of 0.05–0.1 μg/L. The relative standard deviations were in the range of 4.5–6.2% (n = 7). The relative recoveries of well, tap, and river water samples which have been spiked with different levels of herbicides were 92.0–107.0, 82.0–104.0, and 82.0–86.0%, respectively.
Mass spectrometry imaging under ambient conditions
Authors: Wu Chunping , Dill Allison L. , Eberlin Livia S. , Cooks R. Graham , Ifa Demian R.
Published: September 2012

Mass spectrometry imaging (MSI) has emerged as an important tool in the last decade and it is beginning to show potential to provide new information in many fields owing to its unique ability to acquire molecularly specific images and to provide multiplexed information, without the need for labeling or staining. In MSI, the chemical identity of molecules present on a surface is investigated as a function of spatial distribution. In addition to now standard methods involving MSI in vacuum, recently developed ambient ionization techniques allow MSI to be performed under atmospheric pressure on untreated samples outside the mass spectrometer. Here we review recent developments and applications of MSI emphasizing the ambient ionization techniques of desorption electrospray ionization (DESI), laser ablation electrospray ionization (LAESI), probe electrospray ionization (PESI), desorption atmospheric pressure photoionization (DAPPI), femtosecond laser desorption ionization (fs‐LDI), laser electrospray mass spectrometry (LEMS), infrared laser ablation metastable‐induced chemical ionization (IR‐LAMICI), liquid microjunction surface sampling probe mass spectrometry (LMJ‐SSP MS), nanospray desorption electrospray ionization (nano‐DESI), and plasma sources such as the low temperature plasma (LTP) probe and laser ablation coupled to flowing atmospheric‐pressure afterglow (LA‐FAPA). Included are discussions of some of the features of ambient MSI for example the ability to implement chemical reactions with the goal of providing high abundance ions characteristic of specific compounds of interest and the use of tandem mass spectrometry to either map the distribution of targeted molecules with high specificity or to provide additional MS information on the structural identification of compounds. We also describe the role of bioinformatics in acquiring and interpreting the chemical and spatial information obtained through MSI, especially in biological applications for tissue diagnostic purposes. Finally, we discuss the challenges in ambient MSI and include perspectives on the future of the field. © 2012 Wiley Periodicals, Inc., Mass Spec Rev 32:218–243, 2013
Stereochemical assignment of five new lignan glycosides from Viscum album by NMR study combined with CD spectroscopy
Authors: Nhiem Nguyen Xuan , Lee Hwa Young , Kim Nan Young , Park Seon Ju , Kim Eun Sil , Han Jeong Eun , Yang Heejung , Kim Seung Hyun
Published: September 2012

The chemical study of the leaves and twigs of Viscum album led to the isolation of five new lignan glycosides, namely, ligalbumosides A–E (2‐6) and one known lignan glycoside, alangilignoside C (1). The structures of five new lignan glycosides were determined to be (7R,8S,8'S)‐4,9,4'‐trihydroxy‐3,5,3',5'‐tetramethoxy‐7,9'‐epoxylignan 9‐O‐β‐D‐glucopyranoside (2), (7S,8S,7'S,8'R)‐4,9,4'‐trihydroxy‐3,5,3',5',7'‐pentamethoxy‐7,9'‐epoxylignan 9‐O‐β‐D‐glucopyranoside (3), (7R,8R,7'S,8'S)‐4,9,4'‐trihydroxy‐3,5,3',5',7'‐pentamethoxy‐7,9'‐epoxylignan 9‐O‐β‐D‐glucopyranoside (4), (7S,8R,7'S,8'R)‐4,9,4'‐trihydroxy‐3,5,3',5',7'‐pentamethoxy‐7,9'‐epoxylignan 9‐O‐β‐D‐glucopyranoside (5), and (7R,8S,7'R,8'S)‐4,9,4',7'‐tetrahydroxy‐3,5,3',5'‐tetramethoxy‐7,9'‐epoxylignan 9‐O‐β‐D‐glucopyranoside (6) using 1D‐, 2D‐NMR, and CD spectra, chemical methods, as well as comparing the results with those reported in the literature. Copyright © 2012 John Wiley & Sons, Ltd.
Modeling of Polymer Network Formation from Preformed Precursors
Authors: Dušek Karel , Dušková‐Smrčková Miroslava
Published: September 2012

Statistical and kinetic methods of modeling of polymer networks formation from pre‐prepared precursors are described and illustrated. Such precursors are characteristic of distributions of molecular weight and numbers of reactive groups of distinguishable type and reactivity, and contain branch points which get elastically active in the crosslinking stage. The examples include telechelic polymers with functionality distribution, functional copolymers composed of functional and non‐functional units and groups of different reactivity. The basics of statistical and kinetic network formation methods are outlined and their adaptation to cover the non‐uniform collection of precursor molecules as one of the components. The distributions of properties of the precursors are expressed by probability generating functions which serve as input for the crosslinking stage.

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Effect of cholesteric liquid crystalline elastomer with binaphthalene crosslinkings on thermal and optical properties of a liquid crystal that show smectic A‐cholesteric phase transition
Authors: Wu Xiaojuan , Cao Hui , Guo Renwei , Li Kexuan , Wang Feifei , Yang Huai
Published: September 2012

A side‐chain polysiloxane cholesteric liquid crystalline elastomer (ChLCE) with binaphthalene derivate as crosslinkings and cholesterol derivate as liquid crystalline monomers was designed and synthesized. A binaphthyl chiral dopant (CD) was synthesized as well. The chemical structures and liquid crystalline properties of the ChLCE and the CD were characterized by Fourier transform infrared spectroscopy, proton nuclear magnetic resonance spectroscopy, element analyses, differential scanning calorimetry and polarizing optical microscopy measurements. The helical twisting power of the ChLCE exhibited a turning point with changing temperature and was smaller than that of the CD. In addition, the effect of the ChLCE on phase transition temperatures and thermal‐optical properties of a liquid crystal that show smectic A (SmA)‐cholesteric (Ch) phase transition was studied. Worthily, the testing of the reflection wavelength with changing temperature suggested that the adding of the ChLCE in liquid crystals that show SmA‐Ch phase transition can expedite their SmA‐Ch transition. In addition, the network structure of the ChLCE may play a significant role in the accelerating of the transition. These properties provided theoretical and experimental foundations for applying ChLCE in thermally sensitive liquid crystal devices requiring fast response, such as thermally controllable windows, materials and displays. Copyright © 2012 John Wiley & Sons, Ltd.
Influence of prescription monitoring programs on analgesic utilization by an insured retiree population
Authors: Simoni‐Wastila Linda , Qian Jingjing
Published: September 2012

Purpose

To estimate the association between prescription drug monitoring programs (PDMP) and the probability of analgesic use, overall and by analgesic type.

Methods

This cross‐sectional study used 2007 Coordination of Benefits (COB) MarketScan administrative claims data of Medicare eligible and their dependents (n = 2 175 012). The exposure was PDMP status: no PDMP, electronic‐only PDMP (ePDMP), or electronic + paper PDMP (e + pPDMP). Outcomes included any analgesic use and, among users, analgesic use by schedule (CII, CIII, CIV, or CV‐Rx). Multivariable logistic and multinomial regressions were used to estimate the associations of PDMP status with any analgesic use and schedule of analgesic, respectively, controlling for sociodemographic and clinical factors.

Results

There were 834 489 (38.4%) subjects who received at least one analgesic; of these, 28.9% received one or more opioid analgesics (OAs). Compared to individuals in non‐PDMP states, those living in PDMP states had increased odds of receiving any analgesic (ORePDMP = 1.19, 99%CI = 1.19, 1.20; ORe+pPDMP = 1.04, 99%CI = 1.03, 1.05). Among analgesic users, the odds of receiving potent CII analgesics relative to CV‐Rx analgesics were lowest for individuals residing in e + pPDMP states (ORe+pPDMP = 0.54, 99%CI = 0.53, 0.55), followed by ePDMP states (ORePDMP = 0.76, 99%CI = 0.75, 0.77) relative to non‐PDMP states. The odds of receiving CIII OAs were highest for individuals in PDMP compared to non‐PDMP states.

Conclusions

PDMPs are associated with reductions in utilization of targeted prescription OAs and increases in less scrutinized, lower scheduled OAs. Longitudinal studies are needed to determine how PDMPs shift analgesic prescribing and whether such shifts influence clinical care and economic outcomes. Copyright © 2012 John Wiley & Sons, Ltd.
Molecular chirality at surfaces
Authors: Ernst Karl‐Heinz
Published: September 2012

With the adsorption of larger molecules being increasingly tackled by surface scientists, the aspect of chirality often plays a role. This paper gives a topical review of molecular chirality at surfaces and gives a phenomenological overview of different aspects of adsorption and self‐assembly of chiral and prochiral molecules and the principles of mirror‐symmetry breaking at a surface. After a brief introduction into the history of molecular chirality and the important role it played for understanding the spatial structure of molecules, definitions of chirality are presented. Topics treated here are principle ways to create single chiral adsorbates, chiral ensembles, and monolayers by achiral molecules, adsorption of intrinsically chiral molecules at achiral and chiral surfaces, long‐range symmetry breaking in two‐dimensional (2D) crystals due to additional chiral bias, chiral restructuring of solid surfaces under the influence of chiral molecules, switching the handedness of adsorbates, and chirality at the liquid/air interface. An outlook onto further potential research directions and recommendations for further reading, including nonsurface‐related sources of chiral topics completes this paper.
An efficient and robust analysis of covariance model for baseline adjustment in parallel‐group thorough QT/QTc studies
Authors: Lu Kaifeng
Published: September 2012

Baseline adjustment is an important consideration in thorough QT/QTc studies for non‐antiarrhythmic drugs. The time‐matched baseline is often used in practice to adjust for the within‐subject diurnal effects. More recently, the day‐averaged baseline has been proposed in the literature to improve the efficiency of treatment comparisons for the primary and assay sensitivity hypotheses. We recommend an analysis of covariance (ANCOVA) model with change from the time‐matched baseline as the response and both the time‐matched baseline and the day‐averaged baseline as the covariates. This model adjusts for the within‐subject diurnal effects and at the same time is more efficient and robust than the ANCOVA models based on either the time‐matched baseline alone or the day‐averaged baseline alone. Copyright © 2012 John Wiley & Sons, Ltd.
Selective Use of Preoperative Chemoradiotherapy for T3 Rectal Cancer Can Be Justified: Analysis of Local Recurrence
Authors: Baek Se‐Jin , Kim Seon‐Hahn , Kwak Jung‐Myun , Cho Jae‐Sung , Shin Jae‐Won , Amar Azali Hafiz Yafee , Kim Jin
Published: September 2012

Background

Preoperative chemoradiotherapy (CXRT) is performed to reduce local recurrence and improve the rate of radical resection for rectal cancer. Currently, it is recommended for all suspected T3 rectal cancers. However, the survival benefit of this procedure is controversial, and complications of RT are often overlooked. The present study was designed to assess the validity of our institutional policies regarding selective use of preoperative CXRT for T3 rectal cancer.

Methods

From September 2006 to May 2010, we retrospectively analyzed data for patients with pathologic T3 rectal cancer, especially those with follow‐up for more than 18 months. Patients who underwent RT pre‐/postoperatively were excluded. Patients who fulfilled these criteria but did not undergo RT or had incurable distant metastasis were also excluded.

Results

Of the 319 patients who underwent surgery for rectal cancer, 183 were diagnosed with T3 cancer. After excluding 58 patients, the final sample included 125 subjects with a mean follow‐up of 26.0 months. In all, 94 patients had a follow‐up of more than 18 months. Four patients had local recurrences, and the cumulative local recurrence rate was 3.4 % at 18 months and 5.6 % after 2 years. All four had low rectal cancer (mean distance 4.5 ± 1.9 cm). Three were diagnosed as N0 and one as N1. The mean disease‐free period was 15.0 months. The distance between the tumor and the anal verge was the only significant risk factor for local recurrence.

Conclusions

In this study, the oncologic outcome for T3 rectal cancer without preoperative CXRT was acceptable in terms of local recurrence. Selective use of preoperative CXRT for T3 rectal cancer needs to be further evaluated prospectively.
Exploitative competition and coexistence in a parasitoid assemblage
Authors: Teder Tiit , Tammaru Toomas , Kaasik Ants
Published: September 2012

Most insect populations are exploited by a complex of different parasitoid species, providing ample opportunities for competitive interactions among the latter. Despite this, resource‐mediated competition (i.e., exploitative competition) among insect parasitoids remains poorly documented in natural systems. Here we propose a novel way to infer the presence of competitive interactions from covariance patterns in parasitism levels, and illustrate the use of this approach on a relatively well‐defined and simple host–parasitoid system. The parasitism levels caused by three parasitoid species on a shared host showed a highly consistent negative covariance among samples. With the levels of parasitism by one species increasing, the levels of parasitism attributable to the two others decreased. Importantly, negative covariance between parasitism levels by different species appeared at high abundance, but not at low abundance of the phenologically earlier parasitoid species. This as well as several other lines of evidence indicates the importance of competitive interactions in this system. Feeding biology and phenology of the parasitoids suggest that competition in this parasitoid assemblage is primarily resource‐mediated rather than occurring through direct interference. The species attacking earlier stages of the host are competitively superior to those attacking their host later in the season. Better dispersal ability and use of alternative host species by the inferior species could contribute to the coexistence of these competing parasitoids.
Numeric control on the late-glacial chronology of the southern Laurentide Ice Sheet derived from ice-proximal lacustrine deposits
Authors: Carson Eric C. , Hanson Paul R. , Attig John W. , Young Aaron R.
Published: September 2012

We used a combination of radiocarbon and OSL dating in ice-proximal lacustrine silt and clay and outwash sand to estimate when ice of the Green Bay Lobe of the Laurentide Ice Sheet began retreating from its maximum position in south-central Wisconsin. The radiocarbon ages indicate that lakes had formed in the two tributary valleys by ~ 17.2 and 20.1 ka, respectively. The OSL ages indicate that the Green Bay Lobe was at its maximum position from about 26.4 ± 5.1 ka to 21.4 ± 3.3 ka. These data provide entirely new chronologic control on late Wisconsin (Marine Isotope Stage 2) glacial event in the upper Midwest, as well as the opportunity to directly compare radiocarbon and OSL ages in this setting.
Tree-ring derived Little Ice Age temperature trends from the central British Columbia Coast Mountains, Canada
Authors: Pitman Kara J. , Smith Dan J.
Published: September 2012

Most glaciers in the British Columbia Coast Mountains reached their maximum Holocene extent during the Little Ice Age. Early- and late-Little Ice Age intervals of expansion and retreat fluctuations describe a mass-balance response to changing climates. Although existing dendroclimatic records provide insights into these climatic fluctuations over the last 400 yr, their short durations prohibit evaluation of early-Little Ice Age climate variability. To extend the duration of these records, submerged coarse woody debris salvaged from a high-elevation lake was cross-dated to living chronologies. The resulting chronology provides the opportunity to reconstruct a regional June–July air-temperature anomaly record extending from AD 1225 to 2010. The reconstruction shows that the intervals AD 1350–1420, 1475–1550, 1625–1700 and 1830–1940 characterized distinct periods of below-average June–July temperature followed by periods of above-average temperature. Our reconstruction provides the first annually resolved insights into high-elevation climates spanning the Little Ice Age in this region and indicates that Little Ice Age moraine stabilization corresponds to persistent intervals of warmer-than-average temperatures. We conclude that coarse woody debris submerged in high-elevation lakes has considerable potential for developing lengthy proxy climate records, and we recommend that researchers focus attention on this largely ignored paleoclimatic archive.
Stagecraft and the Stage Building in Rhesus
Authors: PERRIS SIMON
Published: September 2012

In many respects, Rhesus is an unparalleled oddity. Attributed to Euripides, it was (probably) composed in the fourth century BC by a now anonymous poet, and thus (probably) constitutes our only extant fourth-century tragedy. Unlike any other surviving tragedy, it dramatizes an episode narrated in the Iliad and is set wholly at night. It features a fourth speaking actor. Other highlights include a chase scene, Athena imitating Aphrodite's voice, and the only singing goddess (the Muse) in extant tragedy. Such is Rhesus, the strangest, most maligned, least understood of tragedies. In this article, I reconsider one comparatively neglected anomaly among many: the use or otherwise of the stage building.
Critical exponents for a semilinear parabolic equation with variable reaction
Authors: Ferreira R. , de Pablo A. , Pérez-LLanos M. , Rossi J. D.
Published: September 2012

We study the blow-up phenomenon for non-negative solutions to the following parabolic problem:

where 0 < p− = min p ≤ p(x) ≤ max p = p+ is a smooth bounded function. After discussing existence and uniqueness, we characterize the critical exponents for this problem. We prove that there are solutions with blow-up in finite time if and only if p+ > 1.

When Ω = ℝN we show that if p− > 1 + 2/N, then there are global non-trivial solutions, while if 1 < p− ≤ p+ ≤ 1 + 2/N, then all solutions to the problem blow up in finite time. Moreover, in the case when p− < 1 + 2/N < p+, there are functions p(x) such that all solutions blow up in finite time and functions p(x) such that the problem possesses global non-trivial solutions.

When Ω is a bounded domain we prove that there are functions p(x) and domains Ω such that all solutions to the problem blow up in finite time. On the other hand, if Ω is small enough, then the problem possesses global non-trivial solutions regardless of the size of p(x).
Study of a singular equation set in the half-space
Authors: Amrouche C. , Dahoumane F. , Vallet G.
Published: September 2012

This work is dedicated to the resolution of a singular equation set in the half-space, with a diffusion coefficient that blows up on the boundary. More precisely, for a datum g: ℝ+3 → ℝ, our problem involves seeking u: ℝ+3 → ℝ as a formal solution to

We give existence and uniqueness results of weak and strong solutions in suitable weighted spaces, where the weight depends on x3.
Global attractors for nonlinear beam equations
Authors: Racke Reinhard , Shang Chanyu
Published: September 2012

This paper is concerned with the dynamics of nonlinear one-dimensional beam equations. We consider nonlinear beam equations with viscosity or with a lower-order damping term instead of the viscosity, and we establish the existence of global attractors for both systems.
Homogenizations of integro-differential equations with Lévy operators with asymmetric and degenerate densities
Authors: Arisawa Mariko
Published: September 2012

We consider periodic homogenization problems for Lévy operators with asymmetric Lévy densities. The formal asymptotic expansion used for the α-stable (symmetric) Lévy operators (α ∈ (0, 2)) is not directly applicable to such asymmetric cases. We rescale the asymmetric densities and extract the most singular parts of the measures, which average out the microscopic dependencies in the homogenization procedures. We give two conditions, (A) and (B), that characterize such a class of asymmetric densities under which the above ‘rescaled’ homogenization is available.
Inhomogeneous parabolic equations on unbounded metric measure spaces
Authors: Falconer Kenneth J. , Hu Jiaxin , Sun Yuhua
Published: September 2012

We study the inhomogeneous semilinear parabolic equation

with source term f independent of time and subject to f(x) ≥ 0 and with u(0, x) = φ(x) ≥ 0, for the very general setting of a metric measure space. By establishing Harnack-type inequalities in time t and some powerful estimates, we give sufficient conditions for non-existence, local existence and global existence of weak solutions, depending on the value of p relative to a critical exponent.
Non-negative global weak solutions for a degenerate parabolic system modelling thin films driven by capillarity
Authors: Matioc Bogdan-Vasile
Published: September 2012

We prove the global existence of non-negative weak solutions for a strongly coupled, fourth-order degenerate parabolic system governing the motion of two thin fluid layers in a porous medium when capillarity is the sole driving mechanism.
Regionalism, Democracy and National Self-Determination in Central Europe
Authors: KARCH BRENDAN
Published: September 2012

The end of the Cold War and the accompanying easing of archival restrictions in former communist countries have created a veritable renaissance in historical literature on the region in the last two decades. The fall of the Iron Curtain has subsequently thrown into doubt the historiographical salience of a strict East–West divide and prompted the resurgence of analytic concepts such as Central Europe or East Central Europe. The former term, defined famously but imprecisely in the 1980s by Milan Kundera as those lands ‘culturally in the West and politically in the East’, has grown no easier to delimit with the march of European integration and democratic stability across most of the ‘central’ part of the continent. The latter term is, in some senses, less problematic, since the ‘East’ in East Central Europe is generally understood to exclude those areas in current-day Germany or Austria. Yet the region's eastern and southern borders are still much disputed.