bluuebunny/crossref_metadata_2025_split huggingface dataset:
Protein dynamics of heme–heme oxygenase‐1 complex following carbon monoxide dissociation
Authors: Yamaoka Masato , Sugishima Masakazu , Noguchi Masato , Fukuyama Keiichi , Mizutani Yasuhisa 
Published: September 2010

AbstractStructural changes of heme‐heme oxygenase‐1 complex following carbon monoxide (CO) dissociation were studied by time‐resolved resonance Raman spectroscopy. We observed temporal changes for resonance Raman bands of the Fe–His stretch and the heme propionate bends in the subnanosecond and microsecond time regimes. These changes suggest structural rearrangements in the Fe–His linkage and the salt bridges of the heme propionates following CO dissociation. The present data supports the model proposed by an X‐ray crystallographic study. The Fe–His stretching mode exhibited an upshift until 30 µs after dissociation as the delay time increased. This is the first example of a CO‐dissociation‐induced strengthening of the Fe‐His linkage in hemeproteins. Copyright © 2010 John Wiley & Sons, Ltd.
Assessment of robustness and transferability of classification models built for cancer diagnostics using Raman spectroscopy
Authors: Sattlecker Martina , Stone Nick , Smith Jennifer , Bessant Conrad 
Published: September 2010

AbstractOver recent years, Raman spectroscopy has been demonstrated as a prospective tool for application in cancer diagnostics. The use of Raman spectroscopy for this purpose relies on pattern recognition methods that have been developed to perform well on data achieved under laboratory conditions. However, the application of Raman spectroscopy as a routine clinical tool is likely to result in imperfect data due to instrument‐to‐instrument variation. Such corruption to the pure tissue spectral data is expected to negatively impact the classification performance of the diagnostic model. In this paper, we present a thorough assessment of the robustness of the Raman approach. This was achieved by perturbing a set of spectra in different ways, including various linear shifts, nonlinear shifts and random noise and using previously optimised classification models to predict the class membership of each spectrum in a testing set. The loss of predictive power with increased corruption was used to calculate a score, which allows an easy comparison of the model robustness. For this approach, three different types of classification models, including linear discriminant analysis (LDA), partial least square discriminant analysis (PLS‐DA) and support vector machine (SVM), built for lymph node diagnostics were the subject of the robustness testing. The results showed that a linear perturbation had the highest impact on the performance of all classification models. Among all linear corruption methods, a gradienty‐shift resulted in the highest performance loss. Thus, the factor most likely to affect the predictive outcome of models when using different systems is a gradienty‐shift. Copyright © 2010 John Wiley & Sons, Ltd.
Silver‐coated inverse opals formed from polystyrene spheres for surface‐enhanced Raman scattering
Authors: Mu Weiqiang , Hwang Dae‐Kue , Chang Robert P. H. , Ketterson John B. 
Published: September 2010

AbstractWe have developed a new substrate for surface‐enhanced Raman scattering (SERS) measurements involving a thin silver layer deposited over an ion‐etched TiO2 inverse opal. The latter is formed by chemically infiltrating a polystyrene opal array with TiO2 followed by a thermal decomposition of the spheres. The SERS response of the these substrates is examined for several sphere sizes and lasers wavelengths; the results show that such substrates yield high enhance factors, comparable to substrates involving a silver layer deposited directly on a polystyrene opal array. Copyright © 2010 John Wiley & Sons, Ltd.
Multiphonon probe in ZnS quantum dots
Authors: Dhara S. , Arora A. K. , Bera Santanu , Ghatak Jay 
Published: September 2010

AbstractRaman spectroscopic studies have been performed for ZnS nanoclusters in this study. Cluster size dependent multiphonon properties are reported in detail. A flurry of zone boundary phonons is demonstrated in the scattering process. A strong deformation potential (DP) dominated Raman spectra are reported for cubic ZnS nanocluster of diameter with ∼2.2 nm in size below the quantum confinement. Transverse optic (TO) mode in the multiphonon process shows only even order overtones for 2.2 nm cluster, suggesting the dominance of a two‐phonon process and its integral multiples. The possibility of surface oxidation in the smallest cluster is ruled out as a plausible explanation for the observed even order TO modes which resemble the higher order modes of ZnO. A wave vector‐independence of electron–phonon interaction in quantum dots leads to strong dependence on DP‐related phenomenon. A large DP value for the second‐order process in ZnS than that with respect to the first‐order process is made responsible for the observed phenomenon. Copyright © 2010 John Wiley & Sons, Ltd.
Evidences of the evolution from solid solution to surface segregation in Ni‐doped SnO2 nanoparticles using Raman spectroscopy
Authors: Aragón F. H. , Coaquira J. A. H. , Hidalgo P. , da Silva S. W. , Brito S. L. M. , Gouvêa D. , Morais P. C. 
Published: September 2010

AbstractNi‐doped SnO2 nanoparticles, promising for gas‐sensing applications, have been synthesized by a polymer precursor method. X‐ray diffraction (XRD) and transmission electron microscopy (TEM) data analyses indicate the exclusive formation of nanosized particles with rutile‐type phase (tetragonal SnO2) for Ni contents below 10 mol%. The mean crystallite size shows a progressive reduction with the Ni content. Room‐temperature Raman spectra of Ni‐doped SnO2 nanoparticles show the presence of Raman active modes and modes activated by size effects. From the evolution of the A1g mode with the Ni content, a solubility limit at ∼2 mol% was estimated. Below that content, Raman results are consistent with the occurrence of solid solution (ss) and surface segregation (seg.) of Ni ions. Above ∼2 mol% Ni, the redshift of A1g mode suggests that the surface segregation of Ni ions takes place. Disorder‐activated bands were determined and their integrated intensity evolution with the Ni content suggest that the solid‐solution regime favors the increase of disorder; meanwhile, that disorder becomes weaker as the Ni content is increased. Copyright © 2010 John Wiley & Sons, Ltd.
Single‐crystal Raman spectroscopy of brandholzite Mg[Sb(OH)6]2•6H2O and bottinoite Ni[Sb(OH)6]2• 6H2O and the polycrystalline Raman spectrum of mopungite Na[Sb(OH)6]
Authors: Rintoul Llew , Bahfenne Silmarilly , Frost Ray L. 
Published: September 2010

AbstractThe single‐crystal Raman spectra of minerals brandholzite and bottinoite, formula M[Sb(OH)6]2•6H2O, where M is Mg+2 and Ni+2, respectively, and the non‐aligned Raman spectrum of mopungite, formula Na[Sb(OH)6], are presented for the first time. The mixed metal minerals comprise alternating layers of [Sb(OH)6]−1 octahedra and mixed [M(H2O)6]+2/[Sb(OH)6]−1 octahedra. Mopungite comprises hydrogen‐bonded layers of [Sb(OH)6]−1 octahedra linked within the layer by Na+ ions. The spectra of the three minerals were dominated by the SbO symmetric stretch of the [Sb(OH)6]−1 octahedron, which occurs at approximately 620 cm−1. The Raman spectrum of mopungite showed many similarities to spectra of the di‐octahedral minerals, supporting the view that the Sb octahedra give rise to most of the Raman bands observed, particularly below 1200 cm−1. Assignments have been proposed on the basis of the spectral comparison between the minerals, prior literature and density functional theory (DFT) calculations of the vibrational spectra of the free [Sb(OH)6]−1 and [M(H2O)6]+2 octahedra by a model chemistry of B3LYP/6‐31G(d) and lanl2dz for the Sb atom. The single‐crystal spectra showed good mode separation, allowing most of the bands to be assigned to the symmetry species A or E. Copyright © 2010 John Wiley & Sons, Ltd.
Why the ΔνCH blue shift is larger in chloral than in dichloroacetyl chloride dimers?
Authors: Szostak Roman 
Published: September 2010

AbstractRaman spectra of the Cl3CCHO/CCl4 and Cl3CCHO/C6D12 binary systems were recorded as a function of the mole fraction. Features originating from self‐aggregates of chloral (trichloroethanal, trichloroacetaldehyde—TCAA) molecules were detected in different spectral regions. The most pronounced changes were observed in the vicinity of the ν(CO) and ν(CH) stretching vibration bands. Using two‐dimensional correlation spectroscopy (2D‐COS), evolving‐factor analysis (EFA) and multivariate curve resolution (MCR), dimer bands were identified, and their positions were determined. The ν(CH) stretching vibration band in dimers was blue‐shifted by nearly 18 cm−1, whereas the ν(CO) dimer band was red‐shifted by more than 5 cm−1. For these bands, the observed shifts were accompanied by an almost twofold change in the bandwidth, from approximately 19 and 6 cm−1 for dilute solutions (x = 0.05) to 36.6 and 11.5 cm−1, respectively, in pure TCAA. The formation of dimers was confirmed by multivariate analysis of the Raman spectra of chloral recorded as a function of temperature. Analogous analysis of dichloroacetyl chloride (DCAC) spectra gave an 8.9 cm−1 blue shift for the ν(CH) vibration band and − 5.5/− 10.1 cm−1 shifts for the ν(CO) stretching vibrations of the two conformers present. To facilitate the interpretation of experimental findings, the optimized geometries and vibrational wavenumbers of the Cl3CCHO/HCl2CCClO molecules and (Cl3CCHO)2/(HCl2CCClO)2 dimers were calculated at the B3LYP/6‐311 + + G(3df,3pd) level. Copyright © 2010 John Wiley & Sons, Ltd.
Roles of paeoniflorin and senkyunolide I in SiWu decoction on antiplatelet and anticoagulation activities
Authors: Zhu Min , Tang Yuping , Duan Jin‐ao , Guo Jianming , Guo Sheng , Su Shulan , Shang Erxin , Qian Dawei , Ding Anwei 
Published: September 2010

AbstractTraditional Chinese medicine (TCM) is a complex system, which consists of numerous compounds with related mechanisms to maximize therapeutic efficacy with minimal adverse effects. Some new methods disclosing the contribution of these constituents as well as their relationship in the formula are necessary for elucidating the bio‐active constituents and the working mechanisms of TCM. In this study, depletion of target components using preparative HPLC followed by antiplatelet and anticoagulation activities evaluation was first applied to investigate the roles of paeoniflorin and senkyunolide I in a well‐known formula, SiWu decoction. The results showed that both paeoniflorin and senkyunolide I not only directly brought about some bio‐activities, but also indirectly made the contribution to the total bio‐activity reflection of SiWu decoction, especially the latter should deserve to be drawn attention to the research of complicated bio‐active constituents of TCM or its formula. So, the significant and effective approach will be very useful for the elucidation of the contribution of each different chemical constituent to the bio‐activity of a TCM formula. Furthermore, this study demonstrated the potential utilization of preparative HPLC in the research of TCM.
Determination of hexabromocyclododecane diastereoisomers in Sargassum fusiforme and comparison of the extraction efficiency of ultrasonication, microwave‐assisted extraction, Soxhlet extraction and pressurised liquid extraction
Authors: Han Chao , Chen Xiaomei , Xie Wen , Zhu Zhenou , Liu Cuiping , Chen Fan , Shen Yan 
Published: September 2010

AbstractThe concentrations of hexabromocyclododecanes (HBCD) in Sargassum fusiforme, the common Chinese edible seaweed, were investigated by LC‐MS/MS. For the recovery of HBCD, the efficiency levels of ultrasonic‐assisted extraction, microwave‐assisted extraction, Soxhlet extraction and pressurised liquid extraction were compared under different conditions. Pressurised liquid extraction and ultrasonic‐assisted extraction resulted in complete extraction of HBCD (92.7–102.5% recovery). Microwave‐assisted extraction and Soxhlet extraction, on the other hand, offered relatively low extraction recoveries (82.1–90.6%). The instrumental LODs on columns in this study were 1.0, 0.3 and 0.7 ng/g for α‐HBCD, β‐HBCD and γ‐HBCD, respectively. Because of its accuracy, this straightforward method is particularly suitable for routine HBCD analysis.
Effects of soil conservation on soil properties of citrus orchards in the Three‐Gorges Area, China
Authors: XU Q. X. , Wang T. W. , CAI C. F. , Li Z. X. , SHI Z. H. 
Published: September 2010

AbstractMountain region citrus production systems occupy large parts of the landscape prone to soil erosion in the Three‐Gorges Area of China. Several soil conservation measures, such as terracing hedgerows, are widely implemented in citrus orchards to control soil erosion. However, little is known about the effect of those measures on soil properties. The objective of this work was to analyse the changes of soil properties in citrus orchards subjected to different conservation measures. Experiments were conducted in four plots: control plot (SC, sloping orchard without conservation measures), sloping orchard with contour hedgerows (SCH), terraced orchard (TC) and terraced orchard with grass cover (TCG). Samples of soil surface from 0 to 15 cm were collected to analyse texture, bulk density (BD), aggregate stability, saturated hydraulic conductivity, soil organic matter (SOM) and soil nutrients. The spatial variability of those properties was also evaluated at slope and field scales. The results showed that the three conservation measures significantly increased saturated hydraulic conductivity, aggregate stability, SOM and available N, P, K, but decreased BD. The terracing with grass cover measures were the most effective in improving soil fertility among the three measures. The average SOM, available P, N, K in TCG were 0·27, 0·50, 1·74 and 1·72 and these rates are larger than for the in SC. Compared to SC, silt content was increased the SCH, while clay content was increased with TC and TCG. There was a downslope increase in clay content and total N but a decrease in gravels in the SC plot. However, that trend did not exist in the other plots. At the field scale, the soil aggregate stability and total nitrogen were significantly higher near the hedgerow under SCH, and the available N was significantly higher in the middle position under TC; the other soil properties had no significant trends based on the distance to hedgerow or stone bunds. Results of this study will contribute to a further understanding of the environmental influence of soil conservation measures. Copyright © 2010 John Wiley & Sons, Ltd.
Fibrin sealant decreases postoperative drainage in immediate breast reconstruction by deep inferior epigastric perforator flap after mastectomy with axillary dissection
Authors: Hivelin Mikaël , Heusse Jean Laurent , Matar Nadia , Lepage Christophe , Lantieri Laurent 
Published: September 2010

AbstractBackground:Serosanguinous drainage after breast reconstruction by deep inferior epigastric perforator flap (DIEP) can limit patient's discharge. We introduced fibrin sealant in immediate breast reconstruction by DIEP flap to reduce drainage after mastectomy with axillary dissection.Materials and methods:We performed an open study on 30 consecutive female aged from 28 to 63 years old. All underwent immediate breast reconstructions by DIEP flaps after mastectomy and axillary dissection for cancer. Patients were divided in group 1 (N = 15) without fibrin sealant and group 2 (N = 15) where the flap, thoracic, and axillary areas were sprayed with 5 mL of liquid fibrin sealant before drains insertion. There was no difference in the patient's BMI, height, weight or age between both the groups. Blake suction drains were placed under the flap and in the axillary area.Results:No adverse effects were reported, after a 20‐month median follow‐up. Drainage volumes or durations were not correlated to the patient's BMI, nor the height, weight or age. Thoracic drainage duration was longer than abdominal drainage in both the groups. Average drained volumes from the thoracic area were lower (427 vs. 552 mL; P = 0.015) and thoracic drains were removed earlier (5.47 vs. 6.33 days P = 0.022), in group 2 than in group 1. The length of stay was also reduced after the use of fibrin sealant (5.53 vs. 6.33 days; P = 0.032).Conclusion:This study introduce the interest of fibrin sealant to significantly decrease the postoperative drainage volume and duration in the thoracic area after immediate breast reconstruction by DIEP flap. © 2010 Wiley‐Liss, Inc. Microsurgery, 2011.
Efficient implementation of hardware‐optimized gradient sequences for real‐time imaging
Authors: Derbyshire J. Andrew , Herzka Daniel A. , McVeigh Elliot R. , Lederman Robert J. 
Published: September 2010

AbstractThis work improves the performance of interactive real‐time imaging with balanced steady‐state free precession. The method employs hardware‐optimized gradient pulses, together with a novel phase‐encoding strategy that simplifies the design and implementation of the optimized gradient waveforms. In particular, the waveforms for intermediate phase‐encode steps are obtained by simple linear combination, rather than separate optimized waveform calculations. Gradient waveforms are redesigned in real time as the scan plane is manipulated, and the resulting sequence operates at the specified limits of the MRI gradient subsystem for each new scan‐plane orientation. The implementation provides 14‐25% improvement in the sequence pulse repetition time over the vendor‐supplied interactive real‐time imaging sequence for similar scan parameters on our MRI scanner. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.
Effect of improving spatial or temporal resolution on image quality and quantitative perfusion assessment with k‐t SENSE acceleration in first‐pass CMR myocardial perfusion imaging
Authors: Maredia Neil , Radjenovic Aleksandra , Kozerke Sebastian , Larghat Abdulghani , Greenwood John P. , Plein Sven 
Published: September 2010

Abstractk‐t Sensitivity‐encoded (k‐t SENSE) acceleration has been used to improve spatial resolution, temporal resolution, and slice coverage in first‐pass cardiac magnetic resonance myocardial perfusion imaging. This study compares the effect of investing the speed‐up afforded by k‐t SENSE acceleration in spatial or temporal resolution. Ten healthy volunteers underwent adenosine stress myocardial perfusion imaging using four saturation‐recovery gradient echo perfusion sequences: a reference sequence accelerated by sensitivity encoding (SENSE), and three k‐t SENSE–accelerated sequences with higher spatial resolution (“k‐t High”), shorter acquisition window (“k‐t Fast”), or a shared increase in both parameters (“k‐t Hybrid”) relative to the reference. Dark‐rim artifacts and image quality were analyzed. Semiquantitative myocardial perfusion reserve index (MPRI) and Fermi‐derived quantitative MPR were also calculated. The k‐t Hybrid sequence produced highest image quality scores at rest (P = 0.015). Rim artifact thickness and extent were lowest using k‐t High and k‐t Hybrid sequences (P < 0.001). There were no significant differences in MPRI and MPR values derived by each sequence. Maximizing spatial resolution by k‐t SENSE acceleration produces the greatest reduction in dark rim artifact. There is good agreement between k‐t SENSE and standard acquisition methods for semiquantitative and fully quantitative myocardial perfusion analysis. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.
Real‐time 3D target tracking in MRI guided focused ultrasound ablations in moving tissues
Authors: Ries Mario , de Senneville Baudouin Denis , Roujol Sébastien , Berber Yasmina , Quesson Bruno , Moonen Chrit 
Published: September 2010

AbstractMagnetic resonance imaging‐guided high intensity focused ultrasound is a promising method for the noninvasive ablation of pathological tissue in abdominal organs such as liver and kidney. Due to the high perfusion rates of these organs, sustained sonications are required to achieve a sufficiently high temperature elevation to induce necrosis. However, the constant displacement of the target due to the respiratory cycle render continuous ablations challenging, since dynamic repositioning of the focal point is required. This study demonstrates subsecond 3D high intensity focused ultrasound‐beam steering under magnetic resonance‐guidance for the real‐time compensation of respiratory motion. The target is observed in 3D space by coupling rapid 2D magnetic resonance‐imaging with prospective slice tracking based on pencil‐beam navigator echoes. The magnetic resonance‐data is processed in real‐time by a computationally efficient reconstruction pipeline, which provides the position, the temperature and the thermal dose on‐the‐fly, and which feeds corrections into the high intensity focused ultrasound‐ablator. The effect of the residual update latency is reduced by using a 3D Kalman‐predictor for trajectory anticipation. The suggested method is characterized with phantom experiments and verified in vivo on porcine kidney. The results show that for update frequencies of more than 10 Hz and latencies of less then 114 msec, temperature elevations can be achieved, which are comparable to static experiments. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.
Age‐related changes of regional pulse wave velocity in the descending aorta using Fourier velocity encoded M‐mode
Authors: Taviani Valentina , Hickson Stacey S. , Hardy Christopher J. , McEniery Carmel M. , Patterson Andrew J. , Gillard Jonathan H. , Wilkinson Ian B. , Graves Martin J. 
Published: September 2010

AbstractAortic pulse wave velocity (PWV) is an independent determinant of cardiovascular risk. Although aortic stiffening with age is well documented, the interaction between aging and regional aortic PWV is still a debated question. We measured global and regional PWV in the descending aorta of 56 healthy subjects aged 25–76 years using a one‐dimensional, interleaved, Fourier velocity encoded pulse sequence with cylindrical excitation. Repeatability across two magnetic resonance examinations (n = 19) and accuracy against intravascular pressure measurements (n = 4) were assessed. The global PWV was found to increase nonlinearly with age. The thoracic aorta was found to stiffen the most with age (PWV [thoracic, 20–40 years] = 4.7 ± 1.1 m/s; PWV [thoracic, 60–80 years] = 7.9 ± 1.5 m/s), followed by the mid‐ (PWV [mid‐abdominal, 20–40 years] = 4.9 ± 1.3 m/s; PWV [mid‐abdominal, 60–80 years] = 7.4 ± 1.9 m/s) and distal abdominal aorta (PWV [distal abdominal, 20–40 years] = 4.8 ± 1.4 m/s; PWV [distal abdominal, 60–80 years] = 5.7 ± 1.4 m/s). Good agreement was found between repeated magnetic resonance measurements and between magnetic resonance PWVs and the gold‐standard. Fourier velocity encoded M‐mode allowed to measure global and regional PWV in the descending aorta. There was a preferential stiffening of the thoracic aorta with age, which may be due to progressive fragmentation of elastin fibers in this region. Magn Reson Med, 2010. © 2010 Wiley‐Liss, Inc.