bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimization of a molecular mechanics force field for polyoxometalates based on a genetic algorithm
Authors: Courcot Blandine , Bridgeman Adam J. 
Published: July 2010

AbstractA stochastic technique based on genetic algorithms was implemented to develop new force fields by optimizing molecular mechanics (MM) parameters. These force fields have been optimized for inorganic compounds such as polyoxometalates (POMs) and especially for type‐I polymolybdate and polytungstate clusters. Focussing on the methodology of the development of the force fields, they were tested for the prediction of structural parameters, comparing the MM optimized structures with the geometry obtained after an optimization based on density functional theory. Results show that the genetic algorithm converges toward an optimum combination of parameters which successfully reproduces POMs structures with a high degree of accuracy. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011
ACEi/ARB for systolic heart failure: Closing the quality gap with a sustainable intervention at an academic medical center
Authors: Qian Qi , Manning Dennis M. , Ou Narith , Klarich Mark J. , Leutink Dorinda J. , Loth Ann R. , Lopez‐Jimenez Francisco 
Published: July 2010

AbstractBACKGROUND:National guidelines recommend angiotensin converting enzyme inhibitor (ACEi) or angiotensinogen receptor blocker (ARB) therapy for patients with left ventricular systolic dysfunction (LVSD), including those with symptomatic heart failure (HF). However, guideline adherence has not been optimal. The goal of this quality improvement project is to devise and implement a sustainable care‐delivery model in a 920‐bed academic hospital center that would improve ACEi/ARB adherence before hospital discharge.METHODS:The Model of intervention is: (1) a computer‐based daily screening program; (2) inpatient pharmacist e‐flag message; and (3) alerts for inpatient care teams. Its operating algorithm: If eligible adult HF/LVSD inpatients are not on ACEi or ARB nor documentation of contraindications, a flag alert is generated; deficiency is confirmed by a pharmacist and conveyed to the patient‐care teams; if alert is acted on and care brought into adherence, the screening program would not re‐flag the same patients the succeeding day; if not, the patients would be re‐flagged daily until reaching adherence. We compared ACEi/ARB adherence before, during, and after the intervention.RESULTS:Baseline performance (percentage of eligible HF/LVSD patients receiving ACEi/ARB) was 87.5%. After implementation of the Model the ACEi/ARB adherence rate at the time of hospital discharge rose to 96.7% (P < 0.002) and was sustained for 21 months without needing additional personnel.CONCLUSIONS:A carefully designed, computer‐based care‐delivery model is highly efficient and sustainable for enhancing ACEi/ARB adherence. Journal of Hospital Medicine 2010. © 2010 Society of Hospital Medicine.
Ultrafast imaging: Principles, pitfalls, solutions, and applications
Authors: Tsao Jeffrey 
Published: July 2010

AbstractUltrafast MRI refers to efficient scan techniques that use a high percentage of the scan time for data acquisition. Often, they are used to achieve short scan duration ranging from sub‐second to several seconds. Alternatively, they may form basic components of longer scans that may be more robust or have higher image quality. Several important applications use ultrafast imaging, including real‐time dynamic imaging, myocardial perfusion imaging, high‐resolution coronary imaging, functional neuroimaging, diffusion imaging, and whole‐body scanning. Over the years, echo‐planar imaging (EPI) and spiral imaging have been the main ultrafast techniques, and they will be the focus of the review. In practice, there are important challenges with these techniques, as it is easy to push imaging speed too far, resulting in images of a nondiagnostic quality. Thus, it is important to understand and balance the trade‐off between speed and image quality. The purpose of this review is to describe how ultrafast imaging works, the potential pitfalls, current solutions to overcome the challenges, and the key applications. J. Magn. Reson. Imaging 2010;32:252–266. © 2010 Wiley‐Liss, Inc.
Diffusion‐weighted MRI for monitoring tumor response to photodynamic therapy
Authors: Wang Hesheng , Fei Baowei 
Published: July 2010

AbstractPurpose:To examine diffusion‐weighted MRI (DW‐MRI) for assessing the early tumor response to photodynamic therapy (PDT).Materials and Methods:Subcutaneous tumor xenografts of human prostate cancer cells (CWR22) were initiated in athymic nude mice. A second‐generation photosensitizer, Pc 4, was delivered to each animal by a tail vein injection 48 h before laser illumination. A dedicated high‐field (9.4 Tesla) small animal MR scanner was used to acquire diffusion‐weighted MR images pre‐PDT and 24 h after the treatment. DW‐MRI and apparent diffusion coefficients (ADC) were analyzed for 24 treated and 5 control mice with photosensitizer only or laser light only. Tumor size, prostate specific antigen (PSA) level, and tumor histology were obtained at different time points to examine the treatment effect.Results:Treated mice showed significant tumor size shrinkage and decrease of PSA level within 7 days after the treatment. The average ADC of the 24 treated tumors increased 24 h after PDT (P < 0.001) comparing with pre‐PDT. The average ADC was 0.511 ± 0.119 × 10−3 mm2/s pre‐PDT and 0.754 ± 0.181 × 10−3 mm2/s 24 h after the PDT. There is no significant difference in ADC values pre‐PDT and 24 h after PDT in the control tumors (P = 0.20).Conclusion:The change of tumor ADC values measured by DW‐MRI may provide a noninvasive imaging marker for monitoring tumor response to Pc 4‐PDT as early as 24 h. J. Magn. Reson. Imaging 2010;32:409–417. © 2010 Wiley‐Liss, Inc.
MR‐based visualization and quantification of three‐dimensional flow characteristics in the portal venous system
Authors: Stankovic Zoran , Frydrychowicz Alex , Csatari Zoltan , Panther Elisabeth , Deibert Peter , Euringer Wulf , Kreisel Wolfgang , Russe Maximilian , Bauer Simon , Langer Mathias , Markl Michael 
Published: July 2010

AbstractPurpose:To evaluate the feasibility of time‐resolved flow‐sensitive MRI for the three‐dimensional (3D) visualization and quantification of normal and pathological portal venous (PV) hemodynamics.Materials and Methods:Portal venous hemodynamics were evaluated in 18 healthy volunteers and 5 patients with liver cirrhosis. ECG‐ and adaptive respiratory navigator gated flow‐sensitive 4D MRI (time‐resolved 3D MRI with three‐directional velocity encoding) was performed on a 3 Tesla MR system (TRIO, Siemens, Germany). Qualitative flow analysis was achieved using 3D streamlines and time‐resolved particle traces originating from seven emitter planes precisely placed at anatomical landmarks in the PV system. Quantitative analysis included retrospective extraction of regional peak and mean velocities and vessel area. Results were compared with standard 2D flow‐sensitive MRI and to the reference standard Doppler ultrasound.Results:Qualitative flow analysis was successfully used in the entire PV system. Venous hemodynamics in all major branches in 17 of 18 volunteers and 3 of 5 patients were reliably depicted with good interobserver agreement (kappa = 0.62). Quantitative analysis revealed no significant differences and moderate agreement for peak velocities between 3D MR and 2D MRI (r = 0.46) and Doppler ultrasound (US) (r = 0.35) and for mean velocities between 3D and 2D MRI (r = 0.41). The PV area was significantly (P < 0.01) higher in 3D and 2D MRI compared with US.Conclusion:We successfully applied 3D MR velocity mapping in the PV system, providing a detailed qualitative and quantitative analysis of normal and pathological hemodynamics. J. Magn. Reson. Imaging 2010;32:466–475. © 2010 Wiley‐Liss, Inc.
Perfusion MRI in neuro‐psychiatric systemic lupus erthemathosus
Authors: Emmer Bart J. , van Osch Matthias J. , Wu Ona , Steup‐Beekman Gerda M. , Steens Stefan C. , Huizinga Tom W. , van Buchem Mark A. , van der Grond Jeroen 
Published: July 2010

AbstractPurpose:To use perfusion weighted MR to quantify any perfusion abnormalities and to determine their contribution to neuropsychiatric (NP) involvement in systemic lupus erythematosus (SLE).Materials and methods:We applied dynamic susceptibility contrast (DSC) perfusion MRI in 15 active NPSLE, 26 inactive NPSLE patients, and 11 control subjects. Cerebral blood flow (CBF), cerebral blood volume (CBV), and mean transit time (MTT) maps were reconstructed and regions of interest were compared between groups. In addition, the effect of SLE criteria, NPSLE syndromes, immunological coagulation disorder, and medication on CBF, CBV, and MTT was investigated.Results:No significant differences were found between the groups in CBF, CBV, and MTT. No significant influence of SLE criteria or NPSLE syndromes on CBF, CBV, or MTT was found. No significant influence of anti‐cardiolipin antibodies, lupus anti‐coagulant, the presence of anti‐phospholipid syndrome (APS), or medication on CBF, CBV, or MTT was found.Conclusion:Our findings suggest CBF, CBV, and MTT in the white and the gray matter in SLE patients is not significantly different from healthy controls or between patients with and without specific symptoms or with and without immunological disorder involving coagulation. J. Magn. Reson. Imaging 2010;32:283–288. © 2010 Wiley‐Liss, Inc.
Focal nodular hyperplasia: Central scar enhancement pattern using gadoxetate disodium
Authors: Karam Adib R. , Shankar Sridhar , Surapaneni Padmaja , Kim Young H. , Hussain Sarwat 
Published: July 2010

AbstractPurpose:To illustrate the unusual enhancement pattern of the focal nodular hyperplasia central scar using Gadoxetate Disodium.Materials and Methods:Over a 10‐month period, six patients, with a total of seven focal nodular hyperplasia lesions with typical central scar, had MRI of the liver using Gadoxetate Disodium (Eovist, Bayer HealthCare Pharmaceuticals Inc., Wayne, NJ). Four of the six patients had a prior Gadobenate Dimeglumine (Multihance, Bracco Diagnostics Inc., Princeton, NJ) ‐enhanced MRI of the liver performed within the previous year. The dynamic enhancement pattern of the central scar on the 10 liver MRIs was independently analyzed by two abdominal imaging radiologists who were blinded to the contrast agent used.Results:On the Gadoxetate Disodium‐enhanced MRIs and during the arterial phase, 1‐min, 2‐min, and 3‐min delay, none of the central scars demonstrated enhancement. However, all four of the lesions that were previously scanned using Gadobenate Dimeglumine demonstrated typical enhancement after a 3‐min delay.Conclusion:On Gadoxetate Disodium‐enhanced MRIs of the liver, the central scar of focal nodular hyperplasia lesions does not typically demonstrate delayed enhancement. J. Magn. Reson. Imaging 2010;32:341–344. © 2010 Wiley‐Liss, Inc.
Texture‐based classification of focal liver lesions on MRI at 3.0 Tesla: A feasibility study in cysts and hemangiomas
Authors: Mayerhoefer Marius E. , Schima Wolfgang , Trattnig Siegfried , Pinker Katja , Berger‐Kulemann Vanessa , Ba‐Ssalamah Ahmed 
Published: July 2010

AbstractPurpose:To determine the feasibility of texture analysis for the classification of liver cysts and hemangiomas, on nonenhanced, zero‐fill interpolated T1‐ and T2‐weighted MR images.Materials and Methods:Forty‐five patients (26 women and 19 men; mean age, 58.1 ± 16.9 years) with liver cysts or hemangiomas were enrolled in the study. After exclusion of images with artifacts, T1‐weighted images of 42 patients, and T2‐weighted images of 39 patients, obtained at 3.0 Tesla (T), were available for further analysis. Texture features derived from the gray‐level histogram, co‐occurrence and run‐length matrix, gradient, autoregressive model, and wavelet transform were calculated. Fisher, probability of classification error and average correlation (POE+ACC), and mutual information coefficients were used to extract subsets of optimized texture features. Linear discriminant analysis (LDA) in combination with k nearest neighbor (k‐NN) classification, and k‐means clustering, were used for lesion classification.Results:LDA/k‐NN produced misclassification rates of 16–18% on T1‐weighted, and 12–18% on T2‐weighted images. K‐means clustering yielded misclassification rates of 15–23% on T1‐weighted, and 15–25% on T2‐weighted images.Conclusion:Texture‐based classification of liver cysts and hemangiomas is feasible on zero‐fill interpolated MR images obtained at 3.0T. Further studies are warranted to investigate the value of texture‐based classification of other liver lesions, such as hepatocellular and cholangiocellular carcinoma, on MRI. J. Magn. Reson. Imaging 2010;32:352–359. © 2010 Wiley‐Liss, Inc.
3D flow‐independent peripheral vessel wall imaging using T2‐prepared phase‐sensitive inversion‐recovery steady‐state free precession
Authors: Xie Jingsi , Bi Xiaoming , Fan Zhaoyang , Bhat Himanshu , Shah Saurabh , Zuehlsdorff Sven , Li Debiao 
Published: July 2010

AbstractPurpose:To develop a 3D flow‐independent peripheral vessel wall imaging method using T2‐prepared phase‐sensitive inversion‐recovery (T2PSIR) steady‐state free precession (SSFP).Materials and Methods:A 3D T2‐prepared and nonselective inversion‐recovery SSFP sequence was designed to achieve flow‐independent blood suppression for vessel wall imaging based on T1 and T2 properties of the vessel wall and blood. To maximize image contrast and reduce its dependence on the inversion time (TI), phase‐sensitive reconstruction was used to restore the true signal difference between vessel wall and blood. The feasibility of this technique for peripheral artery wall imaging was tested in 13 healthy subjects. Image signal‐to‐noise ratio (SNR), wall/lumen contrast‐to‐noise ratio (CNR), and scan efficiency were compared between this technique and conventional 2D double inversion recovery – turbo spin echo (DIR‐TSE) in eight subjects.Results:3D T2PSIR SSFP provided more efficient data acquisition (32 slices and 64 mm in 4 minutes, 7.5 seconds per slice) than 2D DIR‐TSE (2–3 minutes per slice). SNR of the vessel wall and CNR between vessel wall and lumen were significantly increased as compared to those of DIR‐TSE (P < 0.001). Vessel wall and lumen areas of the two techniques are strongly correlated (intraclass correlation coefficients: 0.975 and 0.937, respectively; P < 0.001 for both). The lumen area of T2PSIR SSFP is slightly larger than that of DIR‐TSE (P = 0.008). The difference in vessel wall area between the two techniques is not statistically significant.Conclusion:T2PSIR SSFP is a promising technique for peripheral vessel wall imaging. It provides excellent blood signal suppression and vessel wall/lumen contrast. It can cover a 3D volume efficiently and is flow‐ and TI‐independent. J. Magn. Reson. Imaging 2010;32:399–408. © 2010 Wiley‐Liss, Inc.
Effects of fertilizer type and rate on labile soil fractions of a sandy Cambisol—long‐term and short‐term dynamics
Authors: Heitkamp Felix , Raupp Joachim , Ludwig Bernard 
Published: July 2010

AbstractThe application of density fractionation is an established technique, but studies on short‐term dynamics of labile soil fractions are scarce. Objectives were (1) to quantify the long‐term and short‐term dynamics of soil C and N in light fraction (LFOC, LFON, ρ ≤ 2.0 g cm–3) and microbial biomass C (Cmic) in a sandy Cambisol as affected by 28 y of different fertilization and (2) to determine the incorporation of C4‐C into these labile fractions during one growing season of amaranth. The treatments were: straw incorporation plus application of mineral fertilizer (MSI) and application of farmyard manure (FYM) each at high (MSIH, FYMH, 140–150 kg N ha–1 y–1) and low (MSIL, FYML, 50–60 kg N ha–1 y–1) rates at four field replicates. For all three sampling dates in 2008 (March, May, and September), stocks of LFOC, LFON and Cmic decreased in the order FYMH > FYML > MSIH, MSIL. However, statistical significance varied markedly among the sampling dates, e.g., with LFOC being significantly different (p ≤ 0.05) in the order given above (sampling date in March), significantly different depending on the fertilizer type (May), or nonsignificant (September). The high proportion of LFOC on the stocks of soil organic C (45% to 55%) indicated the low capacity of soil‐organic‐matter stabilization on mineral surfaces in the sandy Cambisol. The incorporation of C4‐C in the LFOC during one growing season of amaranth was small in all four treatments with C4‐LFOC ranging from 2.1% to 3.0% of total LFOC in March 2009, and apparent turnover times of C3‐derived LFOC ranged from 21 to 32 y for the sandy soils studied. Overall, our study indicates that stocks of LFOC and LFON in a sandy arable soil are temporarily too variable to obtain robust significant treatment effects of fertilizer type and rate at common agricultural practices within a season, despite the use of bulked six individual cores per plot, a common number of field replicates of four, and a length of treatments (28 y) in the order of the turnover time (21–32 y) of C3‐derived LFOC.
Lasers in Wafer‐based PV Module Production
Authors: Wirth Harry 
Published: July 2010

AbstractPhotovoltaic plays an important role in sustainable energy supply scenarios of the next decades. The photovoltaic industry has experienced strong growth in the 21st century and is expected to continue its progress (Figure 1). In 2009, waferbased module technology made up for more than 80 percent of the global PV market; the rest is shared among various thin film technologies. This article provides an overview of laser production technology used for wafer‐based photovoltaic module production.
Processing of glass former alloys by spray forming
Authors: Kiminami C. S. , Botta W. J. , Bolfarini C. 
Published: July 2010

AbstractSpray forming (SF) can be classified as a two‐stage manufacturing process in which solidification begins during particle flight, a relatively rapid solidification step that ends as the deposit builds up, with the remaining liquid droplets solidifying at considerably slower rates. Due to the high cooling rate of the atomization step and the special conditions of deposit buildup, with incoming materials dynamically refining the solidifying material, as‐sprayed deposits typically display a fine‐scale microstructure which may also exhibit some extended solid solubility and metastable phases. Our group has studied several alloys in order to investigate the potential formation of novel microstructures by this process. This paper describes some of the results obtained by spray forming of aluminum‐ and iron‐based alloys, whose compositions derive from rapid solidification studies aimed at obtaining amorphous structures. Al85Y8Ni5Co2, Fe83Zr3.5Nb3.5B9Cu1, [(Fe0.6Co0.4)0.75B0.2Si0.05]96Nb4, and Fe63Nb10Al4Si3B20 glass‐forming alloys were processed. Formation of amorphous phase was observed throughout the deposit of the Al‐based alloy processed at a high G/M ratio, which was not observed in the Fe‐based alloys. In addition, the [(Fe0.6Co0.4)0.75B0.2Si0.05]96Nb4 alloy, which displayed the highest glass‐forming ability among the Fe‐based alloys, showed a high volume percent of amorphous phase formation up to 4mm thickness of the deposit, a similar value obtained for this alloy when processed by copper mold casting.
Study of binary in‐flight melt droplet collisions
Authors: Gao S. , Fritsching U. 
Published: July 2010

AbstractMetal Powder production by means of atomization of a melt and subsequent solidification of the droplets in the spray has important industrial applications. Atomization is one of the main routes in powder production for powder metallurgy applications. The particle morphology of sprayed powders, i. e. particle shape and particle size distribution, is significantly affected by droplet / particle collisions in the spray. The main objective of the present contribution is the investigation of the melt droplet collision process and the collision outcome by an experimental study of binary melt droplet impacts. Here, Carnauba wax as a low melting point material has been used. The binary droplet impact process is achieved with impacting melt droplets produced by two intersecting droplet generators. The influence of the collision parameter (inclination angle of droplets before impact) on the collision process and the resulting particle morphology after the collision process is investigated.Zerstäubungsverfahren sind ein wesentlicher Herstellungsprozess für Pulver aus metallischen und keramischen Materialien. Metallpulver werden im Zerstäubungsprozess durch die Zerstäubung einer Schmelze mit anschließender Erstarrung der Tropfen im Spray während des Fluges erzeugt. Derartig hergestellte Metallpulver werden in zahlreichen Anwendungen verwendet. Wesentliche Partikelmerkmale metallischer Pulver sind die Partikelform und die Partikelgröße. Diese Partikelmerkmale beeinflussen die Anwendungs‐ und Verarbeitungseigenschaften metallischer Pulver signifikant. Die Partikelgrößenverteilung wie auch die Form der im Sprühverfahren erzeugten Pulver wird maßgeblich durch Kollisionsvorgänge der Tropfen und Partikeln im Spray beeinflusst. Die Analyse von Tropfenkollisionsvorgängen im Spray bei der Zerstäubung von Schmelzen steht im Fokus der hier vorzustellenden Arbeiten. Als einfacher zu handhabendes Stoffsystem wird dabei ein niedrigschmelzendes Material (Carnauba‐Wachs) in den experimentellen Untersuchungen zu Tropfenkollision verwendet. Der binäre Kollisionsvorgang zweier Tropfen wird auf der Basis von Wachstropfen im Größenbereich von 380 μm, erzeugt durch temperierbare Tropfengeneratoren, untersucht. Der Einfluss des Impaktparameters (Tropfenstoßwinkel) auf den Tropfenkollisionsvorgang und die Morphologie der erstarrten Partikel nach der Kollision wird ausgewertet und diskutiert.
Den Mangel messen
Authors: Rychlik Michael , Mönch Sabine 
Published: July 2010

AbstractDie Versorgung mit Folat durch Lebensmittel ist bei uns unzureichend. Um die Diskussion um eine Zwangsanreicherung von Lebensmitteln auf eine sichere Basis zu stellen, erfordert die Analytik dieser Vitamingruppe spezifische und empfindliche Verfahren.
Organische Totalsynthese – Quo vadis?
Authors: Mulzer Johann 
Published: July 2010

AbstractErfolg in der Naturstoffsynthese kann nur haben, wer die Mittel und Wege kennt, die Probleme beim Aufbau komplexer Molekülgerüste zu bewältigen, sowie Fehlschläge toleriert und richtig interpretiert – die “ideale Synthese” wird, trotz vieler Erfolge, ein Wunschtraum bleiben. Das Feld ist lebendig wie eh und je, wie auch der Zustrom von hervorragenden Doktoranden zu präparativ arbeitenden Forschungsgruppen zeigt.
Nur Forschung oder auch Lehre?
Authors: Auer Alexander A. , Lehmann Matthias 
Published: July 2010

AbstractNun gibt es den Juniorprofessor in ganz Deutschland – als letztes Bundesland hat Sachsen in diesem Jahr die Novelle des Hochschulrahmengesetzes aus dem Jahr 2004 in Landesrecht umgesetzt und Juniorprofessoren auch offiziell als Hochschullehrer berufen. Ob sich das Modell Juniorprofessur durchsetzen wird, hängt jetzt von den Hochschulen ab.
Stoffe identifizieren und Konzentrationen bestimmen
Authors: Vogel Eva 
Published: July 2010

AbstractDie Bestimmung von Dichte und Brechungsindex zur Identifikation, zur Reinheits‐ oder Konzentrationsbestimmung von Vergällungsmitteln und Lebensmittelzusatzstoffen lässt sich automatisieren und so beschleunigen. Dies erhöht überdies die Reproduzierbarkeit.
Study of the medieval dogs from novgorod, Russia (X–XIV century)
Authors: Zinoviev A.V. 
Published: July 2010

AbstractThe aim of this study was to investigate the diversity of dogs in medieval Novgorod. Based on the unique osteological collection of canine bones from layers of 10th to 14th centuries AD, research showed that the ‘classical’ medium‐sized mesocephalic animals were the most widespread in the city in the discussed times. Well suitable for the alarm guarding, they were rarely used for food or skins. Smaller and larger specimens are rare and most likely represent the luxury breeds of upper classes or prosperous citizens. Copyright © 2010 John Wiley & Sons, Ltd.