bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational approach to site‐directed ligand discovery
Authors: Tóth Gergely , Mukhyala Kiran , Wells James A. 
Published: April 2007

AbstractA computational approach, Systematic Conformational Search & Induced Fit (SCI&FI), to site‐directed ligand discovery (Tethering®) is presented. SCI&FI has the ability to predict the binding site, binding mode, and bound dynamics of small molecule fragments covalently tethered to a protein. The SCI&FI method was engineered with the ability to model induced fit conformational changes of the protein because of the binding of the tether. SCI&FI generates comprehensive picture of the binding preferences of the tether to the protein by elucidating potential binding sites of the tether and by describing regions of receptor space capable of conformational change because of the binding of the tether. The SCI&FI method provides a complementary approach to experimental tethering. Initial validation of the SCI&FI method is reported by predicting the 3D structure of two Interleukin‐2 and an Interleukin‐4 tethered‐protein systems. Proteins 2007. © 2007 Wiley‐Liss, Inc.
Violet–blue luminescence from hafnium oxide layers doped with CeCl3 prepared by the spray pyrolysis process
Authors: García‐Hipólito M. , Caldiño U. , Alvarez‐Fragoso O. , Alvarez‐Pérez M. A. , Martínez‐Martínez R. , Falcony C. 
Published: April 2007

AbstractHfO2:CeCl3 coatings were deposited by the spray pyrolysis method employing hafnium dichloride oxide and CeCl3 dissolved in deionized water (18 MΩ/cm). The room temperature photoluminescence characteristics of the HfO2:CeCl3 films were studied as a function of the deposition parameters such as doping concentrations and substrate temperature. The presence of two different Ce3+ centres in HfO2 is detected from photoluminescence measurements. A reduction of the luminescence intensity is observed with an increase of both the CeCl3 concentration and the deposition temperature. X‐ray diffraction measurements of these films showed that the crystalline structure depends on the substrate temperature. For substrate temperatures less than 350 °C the deposited films are almost amorphous, while substrate temperatures higher than 400 °C produce diffraction peaks corresponding to the monoclinic phase of HfO2. The chemical composition of the films as determined by energy dispersive spectroscopy is also reported. Furthermore, the surface morphology characteristics of the coatings, as a function of the deposition temperature, are also presented. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Effect of essential oils and isolated compounds from Pimpinella species on NF‐κB: a target for antiinflammatory therapy
Authors: Tabanca Nurhayat , Ma Guoyi , Pasco David S. , Bedir Erdal , Kirimer Nese , Baser K. Husnu Can , Khan Ikhlas A. , Khan Shabana I. 
Published: April 2007

AbstractPimpinella essential oils and isolated compounds were screened for their inhibitory activity against NF‐κB mediated transcription in SW1353 cells. Twelve oils were effective in inhibiting NF‐κB mediated transcription. Especially the roots of P. corymbosa, P. tragium and P. rhodanta showed potent activities with IC50 values of 2, 3 and 6 µg/mL, respectively. Five pure compounds, 7 (4‐(2‐propenyl)phenylangelate), 12 (4‐(3‐methyloxiranyl)phenyltiglate), 17 (4‐methoxy‐2‐(3‐methyloxiranyl)phenyl isobutyrate), 18 (4‐methoxy‐2‐(3‐methyloxiranyl)phenylangelate) and 21 (epoxy pseudoisoeugenol‐2‐methylbutyrate) inhibited NF‐κB mediated transcription with IC50 values of 5.5, 1.2, 0.01, 3.6 and 11 µg/mL, respectively. None of the compounds were cytotoxic to mammalian cells. These findings add significant information to the pharmacological activity of Pimpinella species and their beneficial effects and use in disease prevention especially those related to inflammation. Copyright © 2007 John Wiley & Sons, Ltd.
Antiinflammatory effects of a combined herbal preparation (RAH13) ofPhellodendron amurenseandCoptis chinensis inanimal models of inflammation
Authors: Park Eun‐Kyung , Rhee Hae In , Jung Hye‐Sook , Ju Seoung Min , Lee Yeon‐Ah , Lee Sang‐Hoon , Hong Seung‐Jae , Yang Hyung‐In , Yoo Myung‐Chul , Kim Kyoung Soo 
Published: April 2007

AbstractIn an attempt to develop an antiinflammatory herbal remedy that is as potent as current synthetic medicines, the cortex ofPhellodendron amurenseRupr (Rutaceae) and the rhizomes ofCoptis chinensisFranch (Ranunculaceae) were combined in a 2:1 ratio. This ratio was chosen based onin vitroexperiments and traditional Asian medicine prescriptions. The combined ethanol extract, named RAH13, was evaluated for antiinflammatory properties using animal models of acute inflammation such as the croton oil‐induced ear edema test and an acetic acid‐induced capillary permeability test. Models of chronic inflammation were also tested using the cotton pellet test and a delayed‐type hypersensitivity (DTH) test. Oral administration of RAH13 at a dose of 200 mg/kg showedin vivoantiinflammatory activity as potent as the effects associated with 100 mg/mL of celecoxib or 1 mg/kg of dexamethasone. These effects were seen in both acute and chronic inflammation models, suggesting that RAH13 may be effective in controlling some inflammation‐related diseases. Copyright © 2007 John Wiley & Sons, Ltd.
Retracted: Cardioprotective effects of the combined use of puerarin and Danshensu on acute ischemic myocardial injury in rats
Authors: Wu Limao , Qiao Hongxiang , Li Yikui , Li Lianda 
Published: April 2007

AbstractThe following article from Phytotherapy Research, "Cardioprotective Effects of the Combined Use of Puerarin and Danshensu on Acute Ischemic Myocardial Injury in Rats" by L.Wu, H.Qiao, Y.Li, L.Li published online on 20 April 2007 in Wiley Interscience (www.interscience.wiley.com), and in print in August 2007 (Volume 21, Issue no 8, pages 751‐756, DOI: 10.1002/ptr.2157) has been retracted by agreement between the journal Editor in Chief, Elizabeth Williamson and John Wiley & Sons, Ltd. The retraction has been agreed due to overlap with the following article: L.Wu, H.Qiao, Y.Li, L.Li. Protective roles of puerarin and Danshensu on acute ischemic myocardial injury in rats. Phytomedicine 2007, 14 (10): 652‐658. Copyright © 2007 John Wiley & Sons, Ltd.
Towards Nanoporous Membranes based on ABC Triblock Terpolymers
Authors: Sperschneider Alexandra , Schacher Felix , Gawenda Marcel , Tsarkova Larisa , Müller Axel H. E. , Ulbricht Mathias , Krausch Georg , Köhler Jürgen 
Published: April 2007

AbstractBlock copolymers represent an exciting class of complex materials as they self‐assemble into highly regular structures of nanoscopic dimensions. When prepared as thin films, such structures can be used for a variety of applications including lithographic masks or nanoporous membranes. Reported here are nanostructures in thin films of structurally analogous polybutadiene‐block‐poly(2‐vinyl pyridine)‐block‐poly(tert‐butyl methacrylate) (BVT) and polystyrene‐block‐poly(2‐vinyl pyridine)‐block‐poly(tert‐butyl methacrylate) (SVT) triblock terpolymers, which are synthesized via sequential living anionic polymerization. The morphological behavior of annealed SVT and BVT films is investigated by scanning force and electron microscopies. The difference in the terpolymer composition results in the formation of an ordered perforated lamella phase in SVT films and hexagonally packed core/shell cylinders in BVT films. Further, the BVT films show high potential for the fabrication of composite membranes using track‐etched poly(ethylene terephthalate) macroporous filters as a support.
In vitro and in vivo binding of neuroactive steroids to the sigma‐1 receptor as measured with the positron emission tomography radioligand [18F]FPS
Authors: Waterhouse Rikki N. , Chang Raymond C. , Atuehene Nana , Collier Thomas Lee 
Published: April 2007

AbstractSigma‐1 receptors are widely expressed in the mammalian brain and also in organs of the immune, endocrine and reproductive systems. Based on behavioral and pharmacological assessments, sigma‐1 receptors are important in memory and cognitive processes, and are thought to be involved in specific psychiatric illnesses, including schizophrenia, depression, and drug addiction. It is thought that specific neuroactive steroids are endogenous ligands for these sites. In addition, several sigma‐1 receptor binding steroids including progesterone, dihydroepiandrosterone (DHEA), and testosterone are being examined clinically for specific therapeutic purposes; however, their mechanisms of action have not been clearly defined. We previously described the high affinity sigma‐1 receptor selective PET tracer [18F]FPS. This study examines the effect of neuroactive steroids on [18F]FPS binding in vitro and in vivo. Inhibition constants were determined in vitro for progesterone, testosterone, DHEA, estradiol, and estriol binding to the [18F]FPS labeled receptor. The affinity order (Kivalues) for these steroids ranged from 36 nM for progesterone to >10,000 nM for estrodiol and estriol. Biodistribution studies revealed that i.v. coadministration of progesterone (10 mg/kg), testosterone (20 mg/kg), or DHEA (20 mg/kg) significantly decreased [18F]FPS uptake (%ID/g) by up to 50% in nearly all of eight brain regions examined. [18F]FPS uptake in several peripheral organs that express sigma‐1 receptors (heart, spleen, muscle, lung) was also reduced (54–85%). These studies clearly demonstrate that exogenously administered steroids can occupy sigma‐1 receptors in vivo, and that [18F]FPS may provide an effective tool for monitoring sigma‐1 receptor occupancy of specific therapeutic steroids during clinical trials. Synapse 61:540–546, 2007. © 2007 Wiley‐Liss, Inc.
18‐MC acts in the medial habenula and interpeduncular nucleus to attenuate dopamine sensitization to morphine in the nucleus accumbens
Authors: Taraschenko Olga D. , Shulan Joseph M. , Maisonneuve Isabelle M. , Glick Stanley D. 
Published: April 2007

Abstract18‐Methoxycoronaridine (18‐MC), a novel iboga alkaloid congener, is a potential treatment for drug addiction. 18‐MC has been shown to decrease self‐administration of drugs (e.g., morphine, methamphetamine, nicotine) and attenuate opioid withdrawal in rats. In previous studies, systemic pretreatment with 18‐MC abolished the sensitized increase in accumbens dopamine levels induced by chronic morphine administration. In vitro studies have shown that 18‐MC is a potent antagonist of α3β4 nicotinic receptors, and α3β4 antagonism is believed to be the primary mechanism responsible for 18‐MC's effects on drug self‐administration and possibly on morphine‐induced changes in mesolimbic dopamine. While there are very low densities of α3β4 nicotinic receptors in the mesolimbic pathway, these receptors are prominently localized in the medial habenula (MHb) and in the interpeduncular nucleus (IPN). These nuclei and the habenulo‐interpeduncular pathway connecting them are believed to function as part of an alternate reward pathway modulating the dopaminergic mesolimbic pathway known to be involved in drug addiction. In the present study, to determine if 18‐MC acts in the MHb or in the IPN, the effects of local infusion of 18‐MC into these brain areas were assessed on mesolimbic dopamine responses to acute and repeated morphine treatment. Administration of 18‐MC (10 μg) into either the IPN or MHb blocked the sensitized dopamine response to repeated morphine in the nucleus accumbens; 18‐MC had no effect on the dopamine response to acute morphine. The results suggest that 18‐MC acts in the habenulo‐interpeduncular pathway to modulate the effects of repeated morphine in the dopaminergic mesolimbic system. Synapse 61:547–560, 2007. © 2007 Wiley‐Liss, Inc.
Measurement of 5‐HT1A receptor binding in depressed adults before and after antidepressant drug treatment using positron emission tomography and [11C]WAY‐100635
Authors: Moses‐Kolko Eydie L. , Price Julie C. , Thase Michael E. , Meltzer Carolyn Cidis , Kupfer David J. , Mathis Chester A. , Bogers Wendy D. , Berman Susan R. , Houck Patricia R. , Schneider Trisha N. , Drevets Wayne C. 
Published: April 2007

AbstractObjective: To assess effects of chronic antidepressant drug treatment on serotonin type‐1A receptor (5‐HT1AR) binding potential (BP) in major depressive disorder. Methods: Depressed subjects (n = 27) were imaged using PET and [11C]WAY‐100635 at baseline and following a median of 9.4 weeks of treatment with selective serotonin reuptake inhibitor or dual reuptake inhibitor antidepressant agents. Fifteen subjects had complete pre‐ and post‐treatment scan data. The 5‐HT1AR BP was derived from the tissue time‐radioactivity concentrations from regions‐of‐interest defined a priori, using a simplified reference tissue model (SRTM), and in a subset of subjects, compartmental modeling (CMOD). Results: Chronic treatment had no effect on pre‐ or post‐synaptic 5‐HT1AR BP, as confirmed by both the SRTM and CMOD analyses. These results were unaffected by treatment response status and were consistent across brain regions. Among the 22 subjects for whom the clinical response‐to‐treatment was established, the treatment nonresponders (n = 7) had higher baseline BP values in the left (P = 0.01) and right orbital cortex (P = 0.02) than the responders (n = 15). Conclusions: Chronic antidepressant drug treatment did not significantly change cerebral 5‐HT1AR binding, consistent with preclinical evidence that the alterations in serotonergic function associated with antidepressant drug administration are not accompanied by changes in 5‐HT1AR density. Higher baseline 5‐HT1AR binding was associated with poorer response to treatment. Synapse 61:523–530, 2007. © 2007 Wiley‐Liss, Inc.
Quantitative assessment of gestational sac shape: the gestational sac shape score
Authors: Deter R. L. , Li J. , Lee W. , Liu S. , Romero R. 
Published: April 2007

AbstractObjectiveTo develop a quantitative method for characterizing gestational sac shape.MethodsTwenty first‐trimester gestational sacs in normal pregnancies were studied with three‐dimensional (3D) ultrasonography. The 3D coordinates of surface‐point sets were obtained for each sac using 30‐, 15‐ and six‐slice sampling. Cubic spline interpolation was used with the 15‐ and six‐slice surface‐point samples to generate coordinates for those 30‐slice surface points not measured. Interpolated and measured values, the latter from the 30‐slice sample, were compared and the percent error calculated. Cubic spline interpolation was used to determine the coordinates of a standard surface‐point sample (3660) for each sac in each slice sample. These coordinate data were used to give each sac a standard configuration by moving its center of gravity to the origin, aligning its inertial axes along the coordinate axes and converting its volume to 1.0 mL. In this form, a volume shape descriptor could be generated for each sac that was then transformed into a vector containing only shape information. The 20 shape vectors of each slice sample were subjected to principal components analysis, and principal component scores (PCSs) calculated. The first four PCSs were used to define a gestational sac shape score (GSSS‐30, GSSS‐15 or GSSS‐6) for each sac in a given slice sample. The characteristics of each set of GSSSs were determined and those for the GSSS‐15 and GSSS‐6 were compared with the GSSS‐30 characteristics.ResultsCubic spline interpolations were very accurate in most cases, with means close to 0%, and approximately 95% of the errors being less than 10%. GSSS‐30 accounted for 67.6% of the shape variance, had a mean of zero and an SD of 1.1, was normally distributed and was not related to menstrual age (R = − 0.16, P = 0.51). GSSS‐15 and GSSS‐6 had essentially the same characteristics. No significant differences between individual GSSS‐30 values and those for GSSS‐15 or GSSS‐6 were found, indicating the absence of a slice sample effect.ConclusionUsing sophisticated mathematical methods, the gestational sac shape, initially represented by the 3D coordinates of 3660 surface points, was converted to a single number, the GSSS. This score had the appropriate properties for quantitatively characterizing normal, first‐trimester gestational sac shapes. As it can be obtained from as few as six slices, it should be useful in many clinical situations. This novel approach has the potential for providing quantitative shape information about a variety of biological shapes and how they change over time. Copyright © 2007 ISUOG. Published by John Wiley & Sons, Ltd.
Accuracy of ultrasound subjective ‘pattern recognition’ for the diagnosis of borderline ovarian tumors
Authors: Yazbek J. , Raju K. S. , Ben‐Nagi J. , Holland T. , Hillaby K. , Jurkovic D. 
Published: April 2007

AbstractObjectivesTo assess the value of pattern recognition for the preoperative ultrasound diagnosis of borderline ovarian tumors (BOTs).MethodsThis was a prospective study of women who were referred to our regional cancer center with the diagnosis of an adnexal mass on a Level II (routine) gynecological ultrasound scan. Women with lesions of uncertain nature were referred for a Level III (expert) ultrasound scan in our tertiary center. The tumor pattern recognition method was used to differentiate between various types of ovarian tumors. Morphological features suggestive of BOTs were: unilocular cyst with a positive ovarian crescent sign and extensive papillary projections arising from the inner wall, or a cyst with a well defined multilocular nodule. The ultrasound findings were compared with the final histological diagnosis.ResultsA total of 224 women with an adnexal mass of uncertain nature were referred for an expert scan, 166 (74.1%) of whom underwent surgery. In this group of women the final histological diagnoses were: 99 (60%) benign lesions, 32 (19%) invasive ovarian cancer and 35 (21%) BOTs. Using pattern recognition combining the different morphological features, a correct preoperative diagnosis of BOT was made in 24/35 (68.6%) women: area under the receiver–operating characteristics curve 0.812 (standard error 0.049; 95% CI, 0.716–0.908), sensitivity 0.69 (95% CI, 0.52–0.81), specificity 0.94 (95% CI, 0.88–0.97), positive likelihood ratio 11.3 (95% CI, 5.53–22.8) and negative likelihood ratio 0.34 (95% CI, 0.21–0.55).ConclusionsUltrasound diagnosis of BOTs is highly specific. However, typical features are absent in one‐third of cases, which are typically misdiagnosed as benign lesions. Copyright © 2007 ISUOG. Published by John Wiley & Sons, Ltd.
The role of CnTI‐SonoVue in the diagnosis of ovarian masses with papillary projections: a preliminary study
Authors: Testa A. C. , Timmerman D. , Exacoustos C. , Fruscella E. , Van Holsbeke C. , Bokor D. , Arduini D. , Scambia G. , Ferrandina G. 
Published: April 2007

AbstractObjectivesTo describe sonographically the distribution patterns of a second‐generation contrast agent in the microcirculation of unilocular and multilocular ovarian masses with papillary projections, and to investigate whether qualitative evaluation of the passage of the contrast agent can improve the performance of sonography in distinguishing between benign and malignant masses with papillary projections.MethodsThirty‐three patients with unilocular or multilocular ovarian masses with papillary projections were enrolled into the study in three clinical centers. The contrast‐enhanced transvaginal examination was performed using ‘Contrast Tuned Imaging’ (CnTI) technology and SonoVue® ultrasound contrast agent.ResultsTwenty‐four (73%) lesions were benign, eight (24%) were borderline ovarian tumors, and one patient presented with an endometrioid ovarian adenocarcinoma. On color and power Doppler examinations the presence of vessels was demonstrated in 17 papillary projections, while on CnTI‐SonoVue examination, the presence of vessels was shown in these 17 and in six additional cases. In all cases with absent papillary perfusion after SonoVue intravenous injection, the cyst wall appeared unequivocally regular. The sensitivity and specificity of conventional color Doppler examination with regard to malignancy were 100% and 67% and the positive and negative likelihood ratios were 3.03 and 0.16, respectively. For the contrast‐enhanced examination the corresponding values were 100%, 42%, 1.7 and 0.26. The difference in specificity was statistically significant (P < 0.05) because 14 cases, in which papillary perfusion was detected after SonoVue injection, proved to be benign on pathological examination.ConclusionQualitative evaluation of blood circulation in papillary projections using CnTI‐SonoVue examination does not improve the discrimination of benign from borderline/malignant ovarian masses with papillary projections. Copyright © 2007 ISUOG. Published by John Wiley & Sons, Ltd.
Estimation of fetal weight: reference range at 20–36 weeks' gestation and comparison with actual birth‐weight reference range
Authors: Salomon L. J. , Bernard J. P. , Ville Y. 
Published: April 2007

AbstractObjectivesTo formulate reference charts and equations for estimated fetal weight (EFW) from a large sample of fetuses and to compare these charts and equations with those obtained for birth weight during the same study period and in the same single health authority.MethodsBiometric data were obtained at 20–36 weeks' gestation from routine screening examinations spanning 4 years. Exclusion criteria were a known abnormal karyotype or congenital malformation and multiple pregnancy. No data were excluded on the basis of abnormal biometry. EFW was calculated based on Hadlock's formula. We used a polynomial regression approach (mean and SD model) to compute a new reference chart for EFW. This chart was compared with that of birth weight at 25–36 weeks' gestation during the same study period and in the same health authority.Results18 959 fetuses were included in the study. New charts and equations for Z‐score calculations at 20–36 weeks' gestation are reported. Comparison with the birth‐weight chart showed that the EFW was noticeably larger at 25–36 weeks' gestation. At 28–32 weeks' gestation, the 50th centile for birth weight compared approximately with the 10th centile for EFW.ConclusionWe present new reference charts and equations for EFW. EFW is computed throughout gestation based on measurements in healthy fetuses. However, before full term, birth‐weight charts reflect a significant proportion of growth‐restricted fetuses that deliver prematurely. We provide additional evidence that comparing EFW with birth‐weight charts is misleading. Copyright © 2007 ISUOG. Published by John Wiley & Sons, Ltd.