bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractA 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

AbstractSimple 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

AbstractA 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

AbstractA large series of N5‐derivatives of the pyridine alkaloid cerpegin [cf.
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

AbstractReview: 79 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 MessageIndividuals 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

AbstractAntibacterial 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

ABSTRACTTo 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

AbstractThe 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

ObjectiveDepression 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.DesignWe 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.ResultsDifferent 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.ConclusionsGiven 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

ObjectivesThe 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.MethodsWe 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.ResultsParticipants 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).ConclusionThe 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

ObjectivesThe 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.MethodsPatients 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.ResultsOf 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.ConclusionsQuetiapine 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

AbstractInteraction‐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

SummaryWe 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.
Mass spectrometry imaging under ambient conditions
Authors: Wu Chunping , Dill Allison L. , Eberlin Livia S. , Cooks R. Graham , Ifa Demian R. 
Published: September 2012

AbstractMass 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
Modeling of Polymer Network Formation from Preformed Precursors
Authors: Dušek Karel , Dušková‐Smrčková Miroslava 
Published: September 2012

AbstractStatistical 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. magnified image
Influence of prescription monitoring programs on analgesic utilization by an insured retiree population
Authors: Simoni‐Wastila Linda , Qian Jingjing 
Published: September 2012

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

AbstractWith 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.