bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractIn 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

AbstractAn 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

AbstractWe 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

AbstractA 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

AbstractWe 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.
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

AbstractApart 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

AbstractThis 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

AbstractWe 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

AbstractDespite 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

AbstractThe 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

AbstractWe 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

AbstractWe 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

AbstractObjectives/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

AbstractObjectives/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

AbstractA 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

AbstractSelf‐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

AbstractFor 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.