bluuebunny/crossref_metadata_2025 huggingface dataset:
How long does victimization foster fear of crime? A longitudinal study
Authors: Russo Silvia , Roccato Michele
Published: October 2010

We studied the relationship between victimization and fear of crime longitudinally, analyzing data from the Observatory of the North‐West (Italian national sample, N=1,701, two waves: January 2006 and January 2007). We modeled fear of crime at T2 using as independent variables: (a) the main sociodemographic variables and fear of crime, as assessed at T1; (b) direct victimization; and (c) indirect victimization. Recent direct victimization was the most effective victimization predictor of both concrete and abstract fears, followed by multiple or repeat direct victimization. On the other hand, direct victimization occurring in the 12 months before the first wave did not influence fear. Recent indirect victimization and, above all, multiple or repeat indirect victimization influenced concrete, but not abstract, fear of crime, while direct victimization occurring in the 12 months before the first wave did not foster fear. We discuss the limits of this work and possible further directions. © 2010 Wiley Periodicals, Inc.
Percutaneous biopsy of anterior mediastinal mass guided by real‐time US fused with CT
Authors: Chen Fen , Jiang Tian‐an , Zhao Qi‐yu
Published: October 2010

We report a case of successful fused CT‐sonographic imaging‐guided percutaneous biopsy of an anterior mediastinal mass, which was visualized poorly with conventional sonography. Real‐time sonography fused with CT can be useful for biopsy of anterior mediastinal masses that are not well visualized on conventional sonography. © 2010 Wiley Periodicals, Inc. J Clin Ultrasound, 2011
Who won the Winter 2010 Olympics? A quest into priorities and rankings
Authors: Saaty Thomas L.
Published: October 2010

During and at the end of Olympic games, we are always given the number of gold, silver and bronze medals won by each country and often the total number won as an indicator of the surmised winner. The groups that report the medal count in this manner indicate that they believe all medals are the same, regardless of the kind of medal involved. Perhaps one reason it is done this way is because there has not been a scientific way to assign appropriate weights to each type of medal. This paper explores use of the measurement theory, the Analytic Hierarchy Process (AHP), to quantify the values of gold, silver and bronze medals and use these values to compute the total value of the medals won by the leading countries in order to determine which country may be considered the winner of the 21st Winter Olympics held February 12–28, 2010, in Vancouver, Canada. Copyright © 2010 John Wiley & Sons, Ltd.
Transgenic over‐expression of growth differentiation factor 11 propeptide in skeleton results in transformation of the seventh cervical vertebra into a thoracic vertebra
Authors: Li Zicong , Kawasumi Miyuri , Zhao Baoping , Moisyadi Stefan , Yang Jinzeng
Published: October 2010

Growth differentiation factor 11 (GDF11) is one of the significant genes that control skeletal formation. Knockout of GDF11 function causes abnormal patterning of the anterior/posterior axial skeleton. The mRNA of GDF11 is initially translated to a precursor protein that undergoes a proteolytic cleavage to generate the C‐terminal peptide or mature GDF11, and the N‐terminal peptide named GDF11 propeptide. The propeptide can antagonize GDF11 activity in vitro. To investigate the effects of GDF11 propeptide on GDF11 function in vivo, we generated transgenic mice that over‐express the propeptide cDNA in skeletal tissue. The transgenic mice showed formation of extra ribs on the seventh cervical vertebra (C7) as a result of transformation of the C7 vertebra into a thoracic vertebra. The GDF11 propeptide transgene mRNA was detected in tail tissue in embryos and was highly expressed in tail and calvaria bones after birth. A high frequency of C7 rib formation was noticed in the transgenic mouse line with a high level of transgene expression. The anterior boundaries of Hoxa‐4 and Hoxa‐5 mRNA in situ expressions showed cranial shifts from their normal prevertebra locations in transgenic embryos. These results demonstrated significant effects of GDF11 propeptide transgene on vertebral formation, which are likely occurring through depressing GDF11 function and altered locations of Hoxa‐4 and Hoxa‐5 expression. Mol. Reprod. Dev. 77:990–997, 2010. © 2010 Wiley‐Liss, Inc.
First‐pass contrast‐enhanced myocardial perfusion MRI in mice on a 3‐T clinical MR scanner
Authors: Makowski Marcus , Jansen Christian , Webb Ian , Chiribiri Amedeo , Nagel Eike , Botnar Rene , Kozerke Sebastian , Plein Sven
Published: October 2010

First‐pass contrast‐enhanced myocardial perfusion MRI in rodents has so far not been possible due to the temporal and spatial resolution requirements. We developed a new first‐pass perfusion MR method for rodent imaging on a clinical 3.0‐T scanner (Philips Healthcare, Best, The Netherlands) that employed 10‐fold k‐space and time domain undersampling with constrained image reconstruction, using temporal basis sets (k‐t principle component analysis) to achieve a spatial resolution of 0.2 × 0.2 × 1.5mm3 and an acquisition window of 43 msec. The method was successfully tested in five healthy and four infarcted mice (C57BL/6J) at heart rates of 495.1 ± 45.8 beats/min. Signal‐intensity‐time profiles showed a percentage myocardial signal increase of 141.3 ± 38.9% in normal mice, compared with 44.7 ± 32.4% in infarcted segments. Mean myocardial blood flow by Fermi function for constrained deconvolution in control mice was 7.3 ± 1.5 mL/g/min, comparable to published literature, with no significant differences between three myocardial segments. In infarcted segments, myocardial blood flow was significantly reduced to 1.2 ± 0.8 mL/g/min (P < 0.01). This is the first report of first‐pass myocardial perfusion MR in a mouse model on a clinical 3‐T MR scanner and using a k‐t undersampling method. Data were acquired on a 3‐T scanner, using an approach similar to clinical acquisition protocols, thus facilitating translation of imaging findings between rodent and human studies. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.
Estimates of systolic and diastolic myocardial blood flow by dynamic contrast‐enhanced MRI
Authors: Radjenovic Aleksandra , Biglands John D. , Larghat Abdulghani , Ridgway John P. , Ball Stephen G. , Greenwood John P. , Jerosch‐Herold Michael , Plein Sven
Published: October 2010

Myocardial blood flow varies during the cardiac cycle in response to pulsatile changes in epicardial circulation and cyclical variation in myocardial tension. First‐pass assessment of myocardial perfusion by dynamic contrast‐enhanced MRI is one of the most challenging applications of MRI because of the spatial and temporal constraints imposed by the cardiac physiology and the nature of dynamic contrast‐enhanced MRI signal collection. Here, we describe a dynamic contrast‐enhanced MRI method for simultaneous assessment of systolic and diastolic myocardial blood flow. The feasibility of this method was demonstrated in a study of 17 healthy volunteers at rest and under adenosine‐induced vasodilatory stress. We found that myocardial blood flow was independent of the cardiac phase at rest. However, under adenosine‐induced hyperemia, myocardial blood flow and myocardial perfusion reserve were significantly higher in diastole than in systole. Furthermore, the transmural distribution of myocardial blood flow and myocardial perfusion reserve was cardiac phase dependent, with a reversal of the typical subendocardial to subepicardial myocardial blood flow gradient in systole, but not diastole, under stress. The observed difference between systolic and diastolic myocardial blood flow must be taken into account when assessing myocardial blood flow using dynamic contrast‐enhanced MRI. Furthermore, targeted assessment of systolic or diastolic perfusion using dynamic contrast‐enhanced MRI may provide novel insights into the pathophysiology of ischemic and microvascular heart disease. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.
Mouse myocardial first‐pass perfusion MR imaging
Authors: Coolen Bram F. , Moonen Rik P. M. , Paulis Leonie E. M. , Geelen Tessa , Nicolay Klaas , Strijkers Gustav J.
Published: October 2010

A first‐pass myocardial perfusion sequence for mouse cardiac MRI is presented. A segmented ECG‐triggered acquisition combined with parallel imaging acceleration was used to capture the first pass of a Gd‐DTPA bolus through the mouse heart with a temporal resolution of 300–400 msec. The method was applied in healthy mice (N = 5) and in mice with permanent occlusion of the left coronary artery (N = 6). Baseline semiquantitative perfusion values of healthy myocardium showed excellent reproducibility. Infarct regions revealed a significant decrease in the semiquantitative myocardial perfusion values (0.05 ± 0.02) compared to remote myocardium (0.20 ± 0.04). Myocardial areas of decreased perfusion correlated well to infarct areas identified on the delayed‐enhancement scans. This protocol is a valuable addition to the mouse cardiac MRI toolbox for preclinical studies of ischemic heart disease. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.
Ex vivo high resolution magic angle spinning metabolic profiles describe intratumoral histopathological tissue properties in adult human gliomas
Authors: Croitor Sava A. , Martinez‐Bisbal M. C. , Van Huffel S. , Cerda J. M. , Sima D. M. , Celda B.
Published: October 2010

In gliomas one can observe distinct histopathological tissue properties, such as viable tumor cells, necrotic tissue or regions where the tumor infiltrates normal brain. A first screening between the different intratumoral histopathological tissue properties would greatly assist in correctly diagnosing and prognosing gliomas. The potential of ex vivo high resolution magic angle spinning spectroscopy in characterizing these properties is analyzed and the biochemical differences between necrosis, high cellularity and border tumor regions in adult human gliomas are investigated. Statistical studies applied on sets of metabolite concentrations and metabolite ratios extracted from 52 high resolution magic angle spinning recordings coming from patients with different grades of glial tumors show a strong correlation between the histopathological tissue properties and the considered metabolic profiles, regardless of the malignancy grade. The results are in agreement with the pathology obtained by the histopathological examination that succeeded the high resolution magic angle spinning measurements. The metabolite concentration set can better differentiate between the considered histopathological tissue properties compared to the ratios. Representative reference tissue models describing the metabolic behavior are extracted for characterizing the intratumoral tissue properties. The proposed metabolic profiles reflect that the metabolites behavior is interconnected, and typical biochemical patterns emerge for each histopathological tissue property. Magn Reson Med, 2011. © 2010 Wiley‐Liss, Inc.
A parallel imaging technique using mutual calibration for split‐blade diffusion‐weighted PROPELLER
Authors: Li Zhiqiang , Pipe James G. , Aboussouan Eric , Karis John P. , Huo Donglai
Published: October 2010

Split‐blade diffusion‐weighted periodically rotated overlapping parallel lines with enhanced reconstruction (DW‐PROPELLER) was proposed to address the issues associated with diffusion‐weighted echo planar imaging such as geometric distortion and difficulty in high‐resolution imaging. The major drawbacks with DW‐PROPELLER are its high SAR (especially at 3T) and violation of the Carr‐Purcell‐Meiboom‐Gill condition, which leads to a long scan time and narrow blade. Parallel imaging can reduce scan time and increase blade width; however, it is very challenging to apply standard k‐space‐based techniques such as GeneRalized Autocalibrating Partially Parallel Acquisitions (GRAPPA) to split‐blade DW‐PROPELLER due to its narrow blade. In this work, a new calibration scheme is proposed for k‐space‐based parallel imaging method without the need of additional calibration data, which results in a wider, more stable blade. The in vivo results show that this technique is very promising. Magn Reson Med, 2011. © 2010 Wiley‐Liss, Inc.
Microfabricated high‐moment micrometer‐sized MRI contrast agents
Authors: Zabow Gary , Dodd Stephen J. , Shapiro Erik , Moreland John , Koretsky Alan P.
Published: October 2010

While chemically synthesized superparamagnetic microparticles have enabled much new research based on MRI tracking of magnetically labeled cells, signal‐to‐noise levels still limit the potential range of applications. Here it is shown how, through top‐down microfabrication, contrast agent relaxivity can be increased several‐fold, which should extend the sensitivity of such cell‐tracking studies. Microfabricated agents can benefit from both higher magnetic moments and higher uniformity than their chemically synthesized counterparts, implying increased label visibility and more quantitative image analyses. To assess the performance of microfabricated micrometer‐sized contrast agent particles, analytic models and numerical simulations are developed and tested against new microfabricated agents described in this article, as well as against results of previous imaging studies of traditional chemically synthesized microparticle agents. Experimental data showing signal effects of 500‐nm thick, 2‐μm diameter, gold‐coated iron and gold‐coated nickel disks verify the simulations. Additionally, it is suggested that measures of location better than the pixel resolution can be obtained and that these are aided using well‐defined contrast agent particles achievable through microfabrication techniques. Magn Reson Med, 2011. © 2010 Wiley‐Liss, Inc.
Modified C7 neurotization for the treatment of obstetrical brachial plexus palsy
Authors: Lin Haodong , Hou Chunlin , Chen Desong
Published: October 2010

Contralateral C7 transfer is used rarely in infants with obstetrical brachial plexus palsy (OBPP). We aimed to determine the efficacy of contralateral C7 transfer to two different recipient nerves in infants with OBPP. Between 2001 and 2005, 9 infants with brachial plexus root avulsions underwent nerve reconstruction using a modified C7 neurotization technique. In this procedure, the contralateral C7 root was transferred to both the musculocutaneous nerve and the median nerve on the affected side. The strength of the biceps muscles increased to M3 or M4 in 7 patients and to M2 in 2 patients. The median nerve transfers led to regained motor function and strength of wrist and finger flexors with improvement to M3 or M4 in 5 patients. All patients showed notable gains of sensory function. Contralateral C7 transfer to two different recipient nerves is a feasible and efficient approach in infants with OBPP. Muscle Nerve, 2010
Comparison of quadriceps inactivation between nerve and muscle stimulation
Authors: Place Nicolas , Casartelli Nicola , Glatthorn Julia F. , Maffiuletti Nicola A.
Published: October 2010

We evaluated the use of direct muscle stimulation for quantifying quadriceps inactivation at different contraction levels as opposed to conventional twitch interpolation using nerve stimulation. Fourteen healthy volunteers were tested. Paired stimuli were delivered to the femoral nerve or to the quadriceps muscle belly during voluntary contractions ranging from 20% to 100% of maximum, and the amplitude of the superimposed doublet was quantified to investigate inactivation. Superimposed doublet for muscle and nerve stimulation, respectively between the range of 60% to 100% of maximum (e.g., at 100%, muscle stimulation was 14 ± 5 Nm and nerve stimulation was 15 ± 6 Nm). Despite higher current doses, muscle stimulation was associated with less discomfort than nerve stimulation (P < 0.05). Collectively, our data suggest that direct muscle stimulation could be used to assess quadriceps inactivation at maximal and quasi‐maximal contraction levels as a valid alternative to motor nerve stimulation. Muscle Nerve, 2010
Symmetry of phrenic nerve motor response in amyotrophic lateral sclerosis
Authors: Pinto Susana , de Carvalho Mamede
Published: October 2010

To test for interside differences and ipsilateral correlation of compound muscle action potentials (CMAP) from muscles of the cervical region according to El Escorial criteria, we stimulated the phrenic, axillary, and ulnar nerves bilaterally in 67 patients with amyotrophic lateral sclerosis. The diaphragm CMAP was symmetric, but it did not correlate with deltoid or abductor digiti minimi (ADM) CMAPs. The deltoid CMAP in all groups and ADM CMAP in bulbar‐ and lower‐limb‐onset patients showed significant interside correlation. The ADM CMAP is asymmetric in upper‐limb‐onset patients. Unilateral stimulation is sufficient to monitor the phrenic nerve response; its degree of CMAP decrease does not correlate with other cervical muscle involvement. Muscle Nerve, 2010
Poisson distribution to analyze near‐threshold motor evoked potentials
Authors: Kaelin‐Lang Alain , Conforto Adriana B. , Z'Graggen Werner , Hess Christian W.
Published: October 2010

Motor unit action potentials (MUAPs) evoked by repetitive, low‐intensity transcranial magnetic stimulation can be modeled as a Poisson process. A mathematical consequence of such a model is that the ratio of the variance to the mean of the amplitudes of motor evoked potentials (MEPs) should provide an estimate of the mean size of the individual MUAPs that summate to generate each MEP. We found that this is, in fact, the case. Our finding thus supports the use of the Poisson distribution to model MEP generation and indicates that this model enables characterization of the motor unit population that contributes to near‐threshold MEPs. Muscle Nerve, 2010
Experience with the Awaji Island modifications to the ALS diagnostic criteria
Authors: Chen Amy , Weimer Louis , Brannagan Thomas , Colin Michael , Andrews Jinsy , Mitsumoto Hiroshi , Kaufmann Petra
Published: October 2010

Amyotrophic lateral sclerosis (ALS) remains a clinical diagnosis without validated biomarkers. To increase diagnostic sensitivity, an expert group modified the Airlie House diagnostic criteria and formulated new recommendations at a meeting on Awaji Island. Our retrospective analysis of patients referred over a 6‐month period to the electromyography (EMG) laboratory for suspected motor neuron disease (MND) showed a higher agreement of the Awaji modifications than the Airlie House criteria with the clinical diagnosis of ALS. Muscle Nerve, 2010
Intermittent catheterization with hydrophilic catheters as a treatment of chronic neurogenic urinary retention
Authors: Chartier‐Kastler Emmanuel , Denys Pierre
Published: October 2010

Aims

Neurogenic bladder can be effectively managed with intermittent catheterization (IC) to improve or restore continence, but there is no consensus on which type of catheter is preferred. Hydrophilic catheters were developed to reduce urethral friction, thereby minimizing trauma and sticking, and making them more acceptable to the patient, and easier and safer to use. The objective of this article was to review the literature on the benefits of hydrophilic catheters in patients with neurogenic bladder.

Methods

A large body of experimental and observational evidence, including randomized controlled trials, was identified using PubMed.

Results

Compared with plastic catheters that have been manually lubricated with gel, hydrophilic catheters reduce urinary tract infection and microhematuria. Hydrophilic catheters are also associated with high levels of patient satisfaction because they are comfortable to use.

Conclusions

There is a wealth of evidence, including randomized controlled trials, to support the benefits of hydrophilic catheters in terms of safety and quality of life, especially in men with spinal cord injury. More data are required for spina bifida, multiple sclerosis, and in women. Further research is warranted, especially large‐scale and long‐term robust comparisons of different types of catheter, and in well‐defined and stratified populations. Neurourol. Urodynam. 30:21–31, 2011. © 2010 Wiley‐Liss, Inc.
Noninvasive quantification of T2 and concentrations of ascorbate and glutathione in the human brain from the same double‐edited spectra
Authors: Emir Uzay E. , Deelchand Dinesh , Henry Pierre‐Gilles , Terpstra Melissa
Published: October 2010

The transverse relaxation times (T2) and concentrations of Ascorbate (Asc) and glutathione (GSH) were measured from a single dataset of double‐edited spectra that were acquired at several TEs at 4 T in the human brain. Six TEs between 102 and 152 ms were utilized to calculate T2 for the group of 12 subjects scanned five times each. Spectra measured at all six TEs were summed to quantify the concentration in each individual scan. LCModel fitting was optimized for the quantification of the Asc and GSH double‐edited spectra. When the fitted baseline was constrained to be flat, T2 was found to be 67 ms (95% confidence interval, 50–83 ms) for GSH and ≤115 ms for Asc using the sum of spectra measured over 60 scans. The Asc and GSH concentrations quantified in each of the 60 scans were 0.62 ± 0.08 and 0.81 ± 0.11 µmol/g [mean ± standard deviation (SD), n = 60], respectively, using 10 µmol/g N‐acetylaspartate as an internal reference and assuming a constant influence of N‐acetylaspartate and antioxidant T2 relaxation in the reference solution and in vivo. The T2 value of GSH was measured for the first time in the human brain. The data are consistent with short T2 for both antioxidants. These T2 values are essential for the absolute quantification of Asc and GSH concentrations measured at long TE, and provide a critical step towards addressing assumptions about T2, and therefore towards the quantification of concentrations without the possibility of systematic bias. Copyright © 2010 John Wiley & Sons, Ltd.
Detection of fully refocused polyamine spins in prostate cancer at 7 T
Authors: Klomp D.W.J. , Scheenen T.W.J. , Arteaga C.S. , van Asten J. , Boer V.O. , Luijten P.R.
Published: October 2010

1H MRSI is often used at 1.5 or 3 T to study prostate cancer, where the ratio of choline + creatine to citrate is taken as a marker for tumour presence. Recently, the level of polyamines (mainly spermine) has been shown to improve specificity even further. However, the in vivo detection of these polyamines (at 3.1 ppm) is hampered by signal cancellation as a result of J‐coupling effects and signal overlap with choline (3.2 ppm) and creatine (3.0 ppm) resonances. At higher magnetic field strengths, the chemical shift dispersion will increase, which allows the use of very selective radiofrequency pulses to refocus J‐coupled spins. In this work, we added selective refocusing pulses to a semi‐LASER (localisation based on adiabatic selective refocusing) sequence at 7 T, and optimised the inter‐pulse timings of the sequence for fully refocused detection of spermine spins, whilst maintaining optimised detection of choline, creatine and the strongly coupled spin system of citrate. Copyright © 2010 John Wiley & Sons, Ltd.
Factors associated with caregiving burden and maternal pessimism in mothers of adolescents with an autism spectrum disorder in Taiwan
Authors: Lin Ling‐Yi
Published: October 2010

Relative to the United States and other western countries, less research has focused on factors associated with caregiving burden and maternal pessimism in Taiwanese mothers of adolescents with an autism spectrum disorder (ASD). The characteristics of 50 adolescents with an ASD living at home in Taiwan and its association with caregiving burden and maternal pessimism were examined. The age range of adolescents with an ASD was from 10 to 18. Mothers, aged 35 to 55 years, completed self‐report written questionnaires regarding their child's adaptive functioning and their own perceptions of caregiving burdens and concerns. Findings indicated that functional independence, severe maladaptive behaviours and severity of autism were predictive of maternal caregiving burden. Maternal pessimism was associated with functional independence and severity of autism. The findings of this study indicated that occupational therapy practitioners could focus on training functional independence of the individual with an ASD to meet the family's need in Taiwan. Researchers should pay significant attention to the lifespan issues of autism in Taiwanese families. The major limitations of this study were small sample size and without a comparison group. Future research using larger samples with a comparison group is needed. Copyright © 2010 John Wiley & Sons, Ltd.
Micro‐RNA signature of the epithelial–mesenchymal transition in endometrial carcinosarcoma
Authors: Castilla María Ángeles , Moreno‐Bueno Gema , Romero‐Pérez Laura , De Vijver Koen Van , Biscuola Michele , López‐García María Ángeles , Prat Jaime , Matías‐Guiu Xavier , Cano Amparo , Oliva Esther , Palacios José
Published: October 2010

Endometrial carcinosarcomas (ECSs) undergo a true epithelial‐mesenchymal transition (EMT). The molecular determinants of the EMT in vivo are unclear, although a role for some miRNAs, mainly involving the miR‐200 family, was recently suggested from in vitro cellular models. We analysed the microRNA (miRNA) signatures associated to EMT in human carcinosarcomas, and determined their relationships with EMT markers and repressors of E‐cadherin transcription. The expression of E‐, P‐ and N‐cadherin, cadherin‐11, p120, vimentin, SPARC, fascin and caveolin‐1 was studied in a group of 76 ECS by immunohistochemistry. In addition, real‐time PCR was used to measure the differences in the expression of 384 miRNAs, E‐cadherin, cadherin‐11, SPARC, SNAIL, ZEB1, ZEB2, TWIST‐1, TCF4, TGFβ1 and TGFβ2 between the epithelial and mesenchymal components of 23 ECSs. A loss of epithelial characteristics, including cadherin switching and the acquisition of a mesenchymal phenotype, was accompanied by changes in the profile of miRNA expression and the up‐regulation of all the E‐cadherin repressors analysed. A greater than five‐fold difference in the expression of 14 miRNAs between both neoplastic components was seen. Members of the miR‐200 family were down‐regulated in the mesenchymal part of the ECS. In addition, miR‐23b and miR‐29c, which are involved in the inhibition of mesenchymal markers, and miR‐203, which is involved in the inhibition of cell stemness, were also down‐regulated. Up‐regulated miRNAs included miR‐155, miR‐369‐5p, miR‐370, miR‐450a and miR‐542‐5p. These data suggest that in human ECS, the interplay between transcriptional repressors of E‐cadherin and miRNAs provides a link between EMT‐activation and the maintenance of stemness. Copyright © 2010 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Interaction studies of cysteine with Li+, Na+, K+, Be2+, Mg2+, and Ca2+metal cation complexes
Authors: Shankar R. , Kolandaivel P. , Senthilkumar L.
Published: October 2010

The coordination geometries, electronic features, metal ion affinities, entropies, and the energetics of Li+, Na+, K+, Be2+, Mg2+, and Ca2+metal cations with different possible conformations of cysteine complexes were studied. The complexes were optimized using density functional theory (B3LYP) and second order Moller–Plesset Perturbation (MP2) theory methods using 6‐311 + +G** basis set. The interactions of the metal cations at different nucleophilic sites of cysteine conformations were considered after a careful selection among several binding sites. All the metal cations coordinate with cysteine in a tridentate manner and also the most preferred position for the interaction. It is found that, the overall structural parameters of cysteine are not altered by metal ion substitution, but, the metal ion‐binding site has undergone a noticeable change. All the complexes were characterized by an electrostatic interaction between ligand and metal ions that appears slightly more pronounced for lithium and beryllium metal complexes. The metal ion affinity (MIA) and basis set superposition error (BSSE) corrected interaction energy were also computed for all the complexes. The effect of metal cations on the infrared (IR) stretching vibrational modes of amino NH bond, side chain thiol group SH bond, hydroxyl OH bond, and Carbonyl CO bond in cysteine molecules have also been studied. The nature of the metal ion‐ligand bond and the coordination properties were examined using natural bond order (NBO) at bond critical point (electron density and their Laplacian of electron density) through Atoms in Molecules (AIM) analyses. Copyright © 2010 John Wiley & Sons, Ltd.
Marital satisfaction of advanced prostate cancer survivors and their spousal caregivers: the dyadic effects of physical and mental health
Authors: Zhou Eric S. , Kim Youngmee , Rasheed Mikal , Benedict Catherine , Bustillo Natalie E. , Soloway Mark , Kava Bruce R. , Penedo Frank J.
Published: October 2010

Objective: Coping with the physical and mental side effects of diagnosis and treatment for advanced prostate cancer (APC) is a challenge for both survivors and their spousal caregivers. There is a gap in our current understanding of the dyadic adjustment process on marital satisfaction in this population. The current study sought to: (1) document levels of physical and mental health, and marital satisfaction, and (2) evaluate the relationship between physical and mental health with marital satisfaction in this understudied population.

Methods: APC survivors who had undergone androgen deprivation therapy within the past year and their spousal caregiver participated in the study (N = 29 dyads). Physical and mental health was assessed using the MOS SF‐36 Health Survey and marital satisfaction was evaluated using the Dyadic Adjustment Scale.

Results: The Actor‐Partner Interdependence Model revealed strong relations between physical and mental health with marital satisfaction for both survivor and caregiver (actor effects). Furthermore, caregiver physical and mental health was related with the survivor's marital satisfaction (partner effect).

Conclusions: Levels of mental health and marital satisfaction were comparable to community‐based and prostate cancer samples, while physical health was higher. Marital satisfaction between APC survivors and their spousal caregivers may be influenced by both physical and mental health functioning. In particular, APC survivor functioning may affect his marital satisfaction as well as his spousal caregiver's. This has implications for psychosocial interventions for APC dyads. Further evaluation of the complex nature of survivor/caregiver dyadic adjustment in dealing with APC is necessary. Copyright © 2010 John Wiley & Sons, Ltd.
Theoretical study of mechanism of extraction reaction between germylene carbene and its derivatives and thiirane
Authors: Lu Xiu Hui , Che Xin , Shi Le Yi , Han Jun Feng , Xia Lian Zhen
Published: October 2010

The mechanism of the sulfur extraction reaction between singlet germylene carbene and its derivatives [X2GeC: (X = H, F, Cl, CH3)] and thiirane has been investigated with density functional theory, including geometry optimization and vibrational analyses for the involved stationary points on the potential energy surface. The energies of the different conformations are calculated by B3LYP/6‐311G(d,p) method. From the potential energy profile, it can be predicted that the reaction pathway of this kind consists two steps: (1) the two reactants firstly form an intermediate (INT) through a barrier‐free exothermic reaction; (2) the INT then isomerizes to a product via a transition state (TS). This kind reaction has similar mechanism, when the germylene carbene and its derivatives [X2GeC: (X = H, F, Cl, CH3)] and thiirane get close to each other, the shift of 3p lone electron pair of S in thiirane to the 2p unoccupied orbital of C in X2Ge = C: gives a p → p donor–acceptor bond, leading to the formation of INT. As the p → p donor–acceptor bond continues to strengthen (that is the CS bond continues to shorten), the INT generates product (P + C2H4) via TS. It is the substituent electronegativity that mainly affects the extraction reactions. When the substituent electronegativity is greater, the energy barrier is lower, and the reaction rate is greater. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Direct dynamics study on mechanism and kinetics of the biradical self‐reaction of HOO
Authors: Zhang Yue , Zhang Tianlei , Wang Wenliang
Published: October 2010

A theoretical study of the mechanism and the kinetics for the hydrogen abstraction reaction of the biradical hydroperoxy radical has been presented at the CCSD(T)/6‐311++G(3d,2p)//CCSD/6‐31+G(d,p) level of theory. Our theoretical calculations suppose a stepwise mechanism involving the formation of a postreactant complex in the triplet and singlet entrance channels. Four transition states of the six‐membered chain complexes (3TS1 and 1TS1) and six‐membered ring complexes (3TS2 and 1TS2) are located at the high dual level CCSD(T)/6‐311++G(3d,2p)//CCSD/6‐31+G(d,p) method. The rate constants of Path 1 ∼ Path 4 at the CCSD(T)/6‐311++G(3d,2p)//CCSD/6‐31+G (d,p) level are calculated by means of the conventional transition state theory (TST) and canonical variational TST without and with small‐curvature tunneling (SCT) correction within the temperature range of 200–2,500 K. The calculated results show that the triplet channel is the dominating reaction channel and Path 2 is found to be the most favorable pathway. The rate constants of Path 2 are in good agreement with the experimental values at the experimentally measured temperatures. Moreover, the variational effect is not obvious in the low temperature range but is not neglectable in the high temperature range. The SCT plays an important role particularly in the low temperature range. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Theoretical study on two types of weak interactions between methylenecyclopropane and XY (X, Y = H, F, Cl, and Br)
Authors: Li Xiaoyan , Meng Lingpeng , Zeng Yanli , Zhang Xueying , Zheng Shijun
Published: October 2010

We present theoretical evidence that the two types of interactions exist in the complexes formed between methylenecyclopropane (MECP) and XY (X, Y = H, F, Cl, and Br). Two seats of XY interacted with MECP are located: (a) is via the pseudo‐π bonding electron pair associated with a CC bond of the cyclopropane ring and (b) is via the typical‐π bonding of electron pair of the CC bond of MECP. These two types of weak interactions are compared based on the calculated geometries, interaction energies, frequency changes, and topological properties of electron density. The integration of electron density over the interatomic surface is found to be a good measure for the strength of weak interaction. Furthermore, the total electron density and separated σ and π electron densities are also computed and discussed in this article. The separated electron density shows σ electron density determined the strength and π electron density influenced the direction of the hydrogen/halogen bond. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
A density functional study of the interaction of dihydrogen with MoN clusters (N = 2–8). Adsorption and dissociation of H2 and cluster reconstruction after desorption
Authors: Granja Faustino Aguilera , Diez Reinaldo Pis
Published: October 2010

The interaction of small MoN clusters (N = 2–8) with H2 is investigated using a GGA version of the density functional theory as implemeted in the SIESTA code. Both the dissociation of H2 and the charge transfer to the metallic clusters are studied in detail to gain insight into the reactive properties of the aggregates in the gas phase. The reconstruction of the clusters after H elimination is also investigated to learn about the possibility of reutilization of the aggregates in future process. Present results indicate that Mo7 is particularly effective in dissociating H2. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
MRCI investigations on dissociation energy and molecular constants of BCl(X1Σ+) radical
Authors: Shi De‐Heng , Liu Hui , Zhang Xiao‐Niu , Sun Jin‐Feng , Liu Yu‐Fang , Zhu Zun‐Lue
Published: October 2010

The equilibrium internuclear separations and harmonic frequencies of the BCl(X1Σ+) radical have been studied using the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach in combination with a series of correlation‐consistent basis sets in the valence range. To accurately determine the ground‐state dissociation energy of the radical, the potential energy curve (PEC) is calculated at each basis set over the internuclear distance range from about 0.08 to 2.00 nm so as to affirm that the PEC is completely smooth and convergent. The PECs are all fitted to the Murrell‐Sorbie function form, which are employed to reproduce the spectroscopic parameters, such as ωeχe, αe, Be, and D0. The present D0, De, Re, ωe, ωeχe, αe, and Be obtained at the MRCI/aug‐cc‐pV5Z level of theory with the relativistic corrections are of 5.2906 eV, 5.3429 eV, 0.1713 nm, 845.70 cm−1, 5.3828 cm−1, 0.006684 cm−1, and 0.6860 cm−1, respectively, which almost perfectly conform to the available measurements. The effects on the spectroscopic parameters by the relativistic corrections at different basis sets have been taken into considerations. With the potential determined at the MRCI/aug‐cc‐pV5Z level of theory, which considers the relativistic corrections, a total of 90 vibrational states is predicted when the rotational quantum number J equals zero (J = 0) by numerically solving the radial Schrödinger equation of nuclear motion. For each vibrational state, one vibrational level and corresponding classical turning points, one inertial rotation and six centrifugal distortion constants are determined when J = 0, which are in excellent agreement with the available experimental data. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
A new radial dependent electrostatic algorithm for the evaluation of the electrophilicity indices of the atoms
Authors: Islam Nazmul , Ghosh Dulal C.
Published: October 2010

Relying on the ansatz of electrophilicity index of Parr et al., we have derived a new algorithm of evaluating global electrophilicity index of atoms as ω =a(14.4/r) +b(in eV), whereris the absolute or most probable radii of atoms in angstrom, and “a” and “b” are the constants. In deriving the radial dependent electrostatic formula of atomic global electrophilicity index, we have relied on the commonality in the basic philosophy of the origin and the operational significance of these two fundamental descriptors‐the electronegativity and the hardness of atoms in physics and chemistry. The formula is invoked to evaluate the global electrophilicity indices of atoms of 103 elements of the periodic table. The evaluated new set of global electrophilicity indices of atoms is found to satisfy the sine qua non of a reasonable scale of electrophilicity indices of atoms by exhibiting perfect periodicity of periods and groups. The periodicity of the global electrophilicity indices of atoms is straightforward in the derive formula of evaluation of electrophilicity indices of atoms. The results of the present calculation also have strong correlation with the result of Noorizadeh and Shakerzadeh and those of Parr et al. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Theoretical study on the solvent effect of the nitrosyl cation (NO+) generating reaction
Authors: Lian Peng , Lai Wei‐Peng , Cai Hua‐Qiang , Qiu Shaojun , Wang Bo‐Zhou , Lv Jian , Xue Yong‐Qiang
Published: October 2010

Nitrosyl cation (NO+) generating reaction HONO + H+ → NO+ + H2O has been theoretically investigated by B3LYP and high‐electron‐correlation QCISD methods with 6‐31G (d,p) basis set. The solvent effects on the geometries, reaction path properties, energies, thermodynamic, and kinetic characters in four solvents (benzene, tetrahydrofuran, acetonitrile, and water) have been calculated using self‐consistent reaction field (SCRF) approach with the polarizable continuum model (PCM). The results show that the activation energy barriers and the relative energies of the products are decreased with increase of the polarities of the solvents, and the reaction is favored in polar solvents thermodynamically and kinetically. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
The quantum theory of atoms in positronic molecules: The subsystem variational procedure
Authors: Heidar Zadeh Farnaz , Shahbazian Shant
Published: October 2010

This contribution deals with the subsystem variational procedure within the context of the quantum theory of atoms in positronic molecules (QTAIPM). Before introducing the subsystem energy functional termed as joint subsystem energy functional, a novel notation and the combination strategy are disclosed in detail by restating the positronic subsystem hypervirial theorem. They are employed in proposing the proper subsystem energy functional, the validity of which is checked by various criteria. The zero flux surfaces of the joint density distribution are used to define the topological atoms in the positronic molecules, and they are incorporated into the subsystem variational procedure as proper real space boundary conditions. The variational procedure finally yields the flux of the joint current property density that also appears in the positronic subsystem hypervirial theorem. At every stage, the corresponding equations for the purely electronic systems within the context of the quantum theory of atoms in molecules (QTAIM) are presented to clearly reveal the analogy between these two formalisms and to emphasize the importance of combining the property density distributions in the QTAIPM. The presented material demonstrates the internal consistency of the whole framework and discloses the fact that the QTAIM must be regarded as a variant of the QTAIPM. Furthermore, this formalism promises an extended QTAIM, which is hoped to resolve the issue of molecular structure beyond the clamp nuclei approximation. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Analytical and numerical Lyapunov functions for SISO linear control systems with first‐order reset elements
Authors: Zaccarian Luca , Nešić Dragan , Teel Andrew R.
Published: October 2010

In this paper we provide analytical and numerical Lyapunov functions that prove stability and performance of a First‐order Reset Element (FORE) in feedback interconnection with a SISO linear plant. The Lyapunov functions also allow to establish finite gainℒ︁2stability from a disturbance input acting at the input of the plant to the plant output. ℒ︁2stability is established by giving a bound on the corresponding ℒ︁2gains. The proof of stability and performance is carried out by showing that the Lyapunov functions constructed here satisfy the sufficient conditions in the main results of Nešićet al.(Automatica2008;44(8):2019–2026). In the paper we also point out and illustrate via a counterexample an analysis subtlety overlooked in the preliminary results of Zaccarianet al.(American Control Conference, Portland, OR, U.S.A., 2005). Copyright © 2010 John Wiley & Sons, Ltd.
Coordination of discrete‐time multi‐agent systems via relative output feedback
Authors: You Keyou , Xie Lihua
Published: October 2010

This paper investigates the joint effects of agent dynamic and network topology on the consensusability of linear discrete‐time multi‐agent systems via relative output feedback. An observer‐based distributed control protocol is proposed. A necessary and sufficient condition for consensusability under this control protocol is given, which explicitly reveals how the intrinsic entropy rate of the agent dynamic and theeigenratioof theundirectedcommunication graph affect consensusability. As a special case, multi‐agent systems with discrete‐time double integrator dynamics are discussed where a simple control protocol directly using two‐step relative position feedback is provided to reach a consensus. Finally, the result is extended to solve the formation and formation‐based tracking problems. The theoretical results are illustrated by simulations. Copyright © 2010 John Wiley & Sons, Ltd.
Integrated/hybrid satellite and terrestrial networks for satellite IMT‐Advanced services
Authors: Ahn Do Seob , Kim Hee Wook , Ahn Jaekyoung , Park Dong‐Chul
Published: October 2010

This paper addresses key features of the satellite component of IMT‐Advanced systems, including candidate system architectures, service scenarios, and candidate radio interfaces. We consider integrated/hybrid satellite and terrestrial networks as an efficient means to meet the main service requirements of the satellite component. As satellite bandwidth is a very scarce resource, efficient frequency reuse techniques will play an important role in the successful deployment of the service. For this reason, we propose an efficient frequency reuse technique, designed for an integrated satellite system to support IMT‐Advanced services. In the proposed scheme, satellite and terrestrial components effectively share the same bandwidth. Copyright © 2010 John Wiley & Sons, Ltd.
Net‐centric satellite mesh architecture for emergency communication
Authors: Gopal Rajeev
Published: October 2010

This paper introduces a net‐centric architecture based on ETSI and TIA Regenerative Satellite Mesh‐A (RSM‐A) standard that uses satellites with on‐board packet switching. An Internet Engineering Task Force (IETF) IP protocol family‐based extension of RSM‐A for enhanced user interoperability, combined with multiple spot beam satellite implementation facilitates higher capacity, easy deployment and full mesh terminal‐to‐terminal operation that is required for managing emergency situations. This Net‐centric Satellite Mesh (NSM) architecture adequately addresses the current and evolving networking needs for emergency‐management information systems that can generate high data rate and real‐time multi‐media traffic. The NSM architecture supports the evolving IETF Emergency Telecommunications Service standards with packet flow‐level admission control for guaranteed packet quality‐of‐service needed by real‐time unicast and multicast traffic over satellite networks. The multi‐plane architectural discussion is supported with measurements of selected end‐to‐end application behavior that validate the technical capabilities of NSM by using a pioneering Ka band satellite system, based on RSM‐A, which has recently been deployed in North America. Copyright © 2010 John Wiley & Sons, Ltd.
WISECOM: A rapidly deployable satellite backhauling system for emergency situations
Authors: Berioli Matteo , Chaves Javier Mulero , Courville Nicolas , Boutry Philippe , Fondere Jean‐Louis , Skinnemoen Harald , Tork Hillar , Werner Markus , Weinlich Michael
Published: October 2010

This paper presents the detailed architecture of the WISECOM system, which can quickly re‐establish and provide telecommunication services after a disaster by integrating terrestrial mobile radio networks, such as GSM, WiFi, WiMAX and TETRA, with satellite technologies. The system aims to be a useful tool to be deployed in the early hours after a disaster event, for both the victims and the rescue services who will be able to communicate in a reliable and robust way, improving the coordination of the different teams and reducing the time needed to provide victims with the proper treatment. The paper presents in detail the different services provided by the system taking into account its two different versions, based on two different satellite technologies, Inmarsat BGAN and DVB‐RCS. Together with the presentation of the system capabilities, a business model is also proposed. Thereafter, the architecture of the general system and the demonstrators that have been developed are detailed, according to the two versions of the system. The work also presents the outcomes of the tests conducted with a prototype of the system, and of the final project demonstration, which was held in Germany in May 2008 with the involvement of real end‐users (fire brigades and civil protection authorities). Copyright © 2010 John Wiley & Sons, Ltd.