bluuebunny/crossref_metadata_2025_split huggingface dataset:
Automated site preparation in physics‐based rescoring of receptor ligand complexes
Authors: Rapp Chaya S. , Schonbrun Cheryl , Jacobson Matthew P. , Kalyanaraman Chakrapani , Huang Niu 
Published: March 2009

AbstractHydrogen atoms are not typically observable in X‐ray crystal structures, but inferring their locations is often important in structure‐based drug design. In addition, protonation states of the protein can change in response to ligand binding, as can the orientations of OH groups, a subtle form of “induced fit.” We implement and evaluate an automated procedure for optimizing polar hydrogens in protein‐binding sites in complex with ligands. Specifically, we apply the previously described Independent Cluster Decomposition Algorithm (ICDA) algorithm (Li et al., Proteins 2007;66:824–837), which assigns the ionization states of titratable residues, the amide orientations of Asn/Gln side chains, the imidazole ring orientation in His, and the orientations of OH/SH groups, in a unified algorithm. We test the utility of this method for identifying nativelike ligand poses using 247 protein‐ligand complexes from an established database of docked decoys. Pose selection is performed with a physics‐based scoring function based on a molecular mechanics energy function and a Generalized Born implicit solvent model. The use of the ICDA receptor preparation protocol, implemented with no knowledge of the native ligand pose, increases the accuracy of pose selection significantly, with the average RMSD over all complexes decreasing from 2.7 to 1.5 Å when applying ICDA. Large improvements are seen for specific classes of binding sites with titratable groups, such as aspartyl proteases. Proteins 2009. © 2009 Wiley‐Liss, Inc.
Radix Astragali extract promotes angiogenesis involving vascular endothelial growth factor receptor‐related phosphatidylinositol 3‐kinase/Akt‐dependent pathway in human endothelial cells
Authors: Zhang Yi , Hu Guang , Lin Hui‐Chao , Hong Si‐Jia , Deng Yan‐Hui , Tang Jing‐Yan , Seto Sai Wang , Kwan Yiu‐Wa , Waye Mary Miu‐Yee , Wang Yi‐Tao , Lee Simon Ming‐Yuen 
Published: March 2009

AbstractAngiogenesis plays an important role in a wide range of physiological processes and many diseases are associated with dysregulation of angiogenesis. Radix Astragali, commonly used in traditional Chinese medicine, is a potential candidate for treating such diseases. However, the biological effects of Radix Astragali on angiogenesis and its underlying mechanisms are yet to be elucidated fully. This study describes the angiogenic effects of Radix Astragali extract (RAE) on human umbilical vein endothelial cells (HUVEC) in vitro. It was shown that RAE treatment stimulated HUVEC to proliferate. A significant increase in migration was observed in RAE‐treated HUVEC using the wound healing migration assay. In addition, a significant increase in the number of branching points was observed during endothelial cell capillary formation after RAE treatment. It was shown that RAE enhances vascular endothelial growth factor (VEGF) mRNA expression, and that a specific blocker of VEGF receptor 2 (KDR/Flk) inhibited the RAE‐induced HUVEC proliferation. In addition, a decrease in the RAE‐induced HUVEC proliferation was observed after treatment with inhibitors of phosphatidylinositol 3‐kinase (PI3K), Akt and endothelial nitric oxide synthase (eNOS). Taken together, these data suggest that RAE is a potent stimulator of angiogenesis and that its pro‐angiogenic effects involve the VEGF‐KDR/Flk and PI3K‐Akt‐eNOS pathways. Copyright © 2009 John Wiley & Sons, Ltd.
Furostanol saponins and ecdysones with cytotoxic activity from Helleborus bocconei ssp. intermedius
Authors: Rosselli Sergio , Maggio Antonella , Bruno Maurizio , Spadaro Vivienne , Formisano Carmen , Irace Carlo , Maffettone Carmen , Mascolo Nicola 
Published: March 2009

AbstractTwo furostanol saponins helleboroside A (1) and helleboroside B (2) were isolated from the methanol extract of Helleborus bocconei Ten. subsp. intermedius (Guss.) Greuter and Burdet, along with the furospirostanol saponin 4 and two ecdysones: ecdysterone (5) and polypodyne B (6). Compound 2 was enzymatically hydrolysed to give product 3. The biological activity of all compounds was tested against rat C6 glioma cells showing a significant cytotoxicity for compounds 3, 4 and 6. Copyright © 2009 John Wiley & Sons, Ltd.
Oral supplementation of Lithospermum erythrorhizon prevents the development of atopic dermatitis with reducing ceramide degradation in the epidermis of NC/Nga mice
Authors: Kim JungMin , Kim YoungRan , Seo DaeBang , Kim SungHan , Lee SangJun , Cho Yunhi 
Published: March 2009

AbstractLithospermum erythrorhizon Sieb. et Zucc. (LE) is widely used in the treatment of abnormal skin conditions, but its systemic efficacy, especially in atopic dermatitis (AD), is not clear. To examine the systemic efficacy of LE on the clinical manifestation of AD‐like skin lesions, NC/Nga mice, a murine model of AD, were fed a control diet (group CA: atopic control) or a diet with a 70% ethanol extract from 5% LE (group LE) for 10 weeks. In group LE, the clinical manifestation of AD‐like skin lesions was prevented as the level of serum IgE, epidermal hyperproliferation, and the number and duration of scratching episodes, which were greater in group CA, were significantly reduced to a similar level of the normal control group of BALB/c mice (group C). In addition, the level of ceramides, the major lipid maintaining the epidermal barrier, in the epidermis of group LE was increased, and was inversely associated with a decreased protein level of ceramidase, an enzyme of ceramide degradation. However, the mRNA and the protein levels of serine palmitoyl transferase (enzyme for de novo ceramide synthesis) in groups C, CA and LE did not differ. It was demonstrated that oral supplementation with LE extract prevented the development of atopic dermatitis with reducing ceramide degradation coupled with a low expression of ceramidase protein. Copyright © 2009 John Wiley & Sons, Ltd.
St John's Wort treating patients with autistic disorder
Authors: Niederhofer Helmut 
Published: March 2009

AbstractProblems of eye contact and expressive language limit the effectiveness of educational and behavioral interventions in patients suffering from pervasive developmental disorders. For that reason, additive psychopharmacological interventions are sometimes needed to improve symptomatology. In our preliminary open trial, three male patients with autistic disorder, diagnosed by ICD‐10 criteria, completed an open trial of St John's Wort. Subjects were included in the study if their eye contact and expressive language was inadaequate for their developmental level and if they had not tolerated or responded to other psychopharmacologic treatments (methylphenidate, clonidine or desipramine). Parent and mentor ratings on the Aberrant Behavior Checklist, irritability, stereotypy, and inappropriate speech factors improved slightly during treatment with St John's Wort. Clinician ratings (Psychiatric Rating Scale Autism, Anger and Speech Deviance factors; Global Assessment Scale; Clinical Global Impressions efficacy) did not improve significantly. St John's Wort was only modestly effective in the short‐term treatment of irritability in some patients with autistic disorder. Copyright © 2009 John Wiley & Sons, Ltd.
Antidiabetic and antioxidant effects of oleanolic acid from Ligustrum lucidum Ait in alloxan‐induced diabetic rats
Authors: Gao Dawei , Li Qingwang , Li Ying , Liu Zhihua , Fan Yusheng , Liu Zhiwei , Zhao Hongwei , Li Jian , Han Zengsheng 
Published: March 2009

AbstractThe present study evaluated the antidiabetic and antioxidant effects of oleanolic acid (OA) from Ligustrum lucidum Ait (LLA) in alloxan‐induced diabetic rats. OA in the alloxan‐induced diabetic rats showed significant hypoglycemic activity by lowering blood glucose (at doses of 60 and 100 mg/kg for 40 days). The levels of serum total cholesterol (TC), triglycerides (TG) and low‐density lipoprotein cholesterol (LDL‐c) in the OA‐treated diabetic rats were lower, and the high‐density lipoprotein cholesterol (HDL‐c) level was higher than in the control diabetic rats. A significant reduction in the serum aspartate aminotransferase (AST), alanine aminotransferase (ALT) and alkaline phosphatase (ALP) levels of diabetic rats following OA treatment was also observed. Furthermore, OA treatment decreased the malondialdehyde (MDA) level, but increased superoxide dismutase (SOD) and glutathione peroxidase (GSH‐px) activities of the liver and kidney in diabetic rats. These results indicate that OA could protect the liver function avoiding alloxan‐induced damage; OA had hypoglycemic, hypolipidemic and antioxidant efficacy in the diabetic rats. The antioxidant ability of OA might be one of the mechanisms of its hypoglycemic and hypolipidemic effects. Copyright © 2009 John Wiley & Sons, Ltd.
Preliminary study of effectiveness of aloe vera in scabies treatment
Authors: O.A. Oyelami , A. Onayemi , O.A. Oyedeji , L.A. Adeyemi 
Published: March 2009

AbstractIn an open, non‐comparative study carried out between August and December 2002 at the Obafemi Awolowo University Teaching Hospitals Complex, Ile‐Ife, Nigeria, 5 patients with scabies were successfully treated with crude gel of Aloe vera; thereafter the efficacy of the extract was compared with that of benzoate lotion among 30 patients. Sixteen patients were treated with Aloe vera and 14 patients had benzyl benzoate lotion. Itching was still present in 3 patients in the benzyl benzoate group and in 2 patients in the Aloe vera group after 2 courses of treatment. The scabietic lesions virtually disappeared in all of them. None of these patients had any noticeable side effects. It is concluded that Aloe vera gel is as effective as benzyl benzoate in the treatment of scabies. Copyright © 2009 John Wiley & Sons, Ltd.
First preliminary results of an observation of Ginkgo Biloba treating patients with autistic disorder
Authors: Niederhofer Helmut 
Published: March 2009

AbstractDeficits in reciprocal social interaction, verbal and nonverbal communication, and imaginative activity are the main characteristics of autism. From the psychopharmacological point of view, clonidine, metylphenidate and neuroleptics may improve some of these aspects, but with a remarkable risk of adverse side effects. In our observational study, three patients received 2 × 100 mg Ginkgo Biloba EGb 761 for 4 weeks and showed some improvement on the Aberrant Behavior and Symptom Checklist. These results suggest, that Ginkgo Biloba might be effective at least as an add‐on therapy. Copyright © 2009 John Wiley & Sons, Ltd.
Portulaca oleracea L. in the treatment of patients with abnormal uterine bleeding: a Pilot clinical trial
Authors: Shobeiri S. F. , Sharei S. , Heidari A. , Kianbakht S. 
Published: March 2009

AbstractAbnormal uterine bleeding (AUB) is a common cause of referral to the gynecology clinic. Portulaca oleracea L., commonly named purslane, is used in Iranian folk medicine to treat AUB. To verify this use, ten premenopausal women with AUB comprising menorrhagia, metrorrhagia, polymenorrhea and intermenstrual bleeding who had not responded to standard drugs and were candidates for hysterectomy participated in the clinical trial. Endometrial biopsies demonstrated the etiologies of AUB in six (60%) patients, fibroma; one (10%) patient, endometrial hyperplasia and one (10%) patient, endometrial cyst. Endometrial biopsies of two (20%) subjects were normal. The subjects took 5 g of purslane seeds powder in a glass of water every 4 h orally 48 h after the onset of menstruation for 3 days. The participants were requested to report the effects of seeds powder on the volume, duration and pattern of bleeding. Eight (80%) patients reported that the duration and volume of bleeding had reduced and their patterns of periods had normalized. The seeds powder was ineffective in two (20%) patients. One of the patients had endometrial hyperplasia and the other had fibroma. No adverse effects were reported. AUB did not recur in the patients responding to treatment for the duration of a 3 months follow‐up. The results suggest that purslane seeds could be effective and safe in the treatment of AUB. Copyright © 2009 John Wiley & Sons, Ltd.
Acupuncture can improve absorption of baicalin from extracts of Scutellaria baicalensis Georgi in rats
Authors: Zhou Jue , Qu Fan , Burrows Elizabeth , Yu Yongping , Nan Rui 
Published: March 2009

AbstractThe aim of this research was to explore whether acupuncture could improve the absorption of baicalin from extracts of Scutellaria baicalensis Georgi in normal rats. Twenty male Sprague–Dawley (SD) rats were divided randomly into two groups. Group A was treated with a combination of oral administration of Scutellaria baicalensis Georgi extracts and acupuncture. Group B was treated only with oral administration of Scutellaria baicalensis Georgi extracts, in the same dosage as Group A. After treatment, the plasma concentration of baicalin was detected and pharmacokinetic analysis was conducted using high performance liquid chromatography (HPLC). The results showed that the plasma concentration of baicalin in Group A was significantly higher than in Group B, and that acupuncture at the acupoints Jizhong (Du6), Dazhui (Du14) and Zhongwan (Ren12) made the plasma concentration‐time course of baicalin produce a bimodal phenomenon, increased the area under the curve (AUC) and slowed the elimination of baicalin, thus significantly improving the absorption of baicalin from extracts of Scutellaria baicalensis Georgi in rats. Copyright © 2009 John Wiley & Sons, Ltd.
Medium‐range multimodel ensemble combination and calibration
Authors: Johnson Christine , Swinbank Richard 
Published: March 2009

AbstractAs part of its contribution to The Observing System Research and Predictability Experiment (THORPEX), the Met Office has developed a global, 15 day multimodel ensemble. The multimodel ensemble combines ensembles from the European Centre for Medium‐Range Weather Forecasts (ECMWF), Met Office and National Centers for Environmental Prediction (NCEP) and is calibrated to give further improvements. The ensemble post‐processing includes bias correction, model‐dependent weights and variance adjustment, all of which are based on linear‐filter estimates using past forecast‐verification pairs, calculated separately for each grid point and forecast lead time.Verification shows that the multimodel ensemble gives an improvement in comparison with a calibrated single‐model ensemble, particularly for surface temperature. However, the benefits are smaller for mean‐sea‐level pressure (mslp) and 500 hPa height. This is attributed to the higher degree of forecast‐error similarity between the component ensembles for mslp and 500 hPa height than for temperature. The results also show only small improvements from the use of the model‐dependent weights and the variance adjustment. This is because the component ensembles have similar levels of skill, and the multimodel ensemble variance is already generally well calibrated.In conclusion, we demonstrate that the multimodel ensemble does give benefit over a single‐model ensemble. However, as expected, the benefits are small if the ensembles are similar to each other and further post‐processing gives only relatively small improvements. © Crown Copyright 2009. Reproduced with the permission of HMSO. Published by John Wiley & Sons Ltd.
Chikungunya and the nervous system: what we do and do not know
Authors: Arpino Carla , Curatolo Paolo , Rezza Giovanni 
Published: March 2009

AbstractChikungunya virus (CHIKV), an alphavirus transmitted by mosquitoes of the Aedes genus, has recently re‐emerged, causing epidemics on Indian Ocean Islands and the Indian subcontinent, and an unexpected outbreak in north–eastern Italy. CHIKV infection was first reported to affect the nervous system in the 1960s; in the early 1970s it was found to be associated with meningoencephalopathy, myelitis, and choroiditis, and animal studies appeared to confirm that CHIKV was neurotropic. Nonetheless, CHIKV has never been considered as a ‘true’ neurotropic virus. The re‐emergence of CHIKV infection in areas with efficient clinical facilities has allowed CHIKV‐related neurological disease to be better defined both in adults and children. Encephalopathy appears to represent the most common clinical manifestation among newborns infected through mother‐to‐child transmission. Although data are still scarce, the ratio between cases with and without CNS involvement for CHIKV appears to be comparable with that for other neurotropic viruses. Unfortunately, the neurotropism of CHIKV has not been completely defined, and different animal studies show inconsistencies with regard to the capacity of the virus to invade and replicate in the brain parenchyma. This merits further investigation in light of the emergence of the virus in previously unaffected areas and of the clinical evidence of CNS involvement in a considerable proportion of symptomatic cases. Copyright © 2009 John Wiley & Sons, Ltd.
Beyond explanations: What else do students need to understand science?
Authors: Hamza Karim M , Wickman Per‐Olof 
Published: March 2009

AbstractStudents' difficulties with learning science have generally been framed in terms of their generalized conceptual knowledge of a science topic as elicited through their explanations of natural phenomena. In this paper, we empirically explore what more goes into giving a scientific account of a natural phenomenon than giving such generalized explanations. We audio‐recorded pairs of upper secondary students during laboratory work in electrochemistry. We used a situative and pragmatist approach to study learning in action. This approach made it possible to study how the particulars and contingencies of working with a real electrochemical cell went into students' reasoning. Our results show that students needed to learn to make distinctions, recognize, and name the particulars in encounters with their cell. They also needed to learn what counts as reasonable readings and to deal with quantitative issues and correlations pertaining to their cell. We refer to these additional learning requirements as the students' taxonomic and measurement interests. Implications for what is involved in giving a scientific account of a natural phenomenon in school are discussed. The study constitutes an attempt to include, in a systematic way, also the particulars and contingencies of actual practice in an account of students' reasoning in science. © 2009 Wiley Periodicals, Inc. Sci. Ed 93:1026–1049, 2009
Reversible Size‐Tuning of Self‐Assembled Silver Nanoparticles in Phospholipid Membranes via Humidity Control
Authors: Oh Nuri , Kim Jung Hoon , Jin Sungho , Yoon Chong Seung 
Published: March 2009

AbstractA monolayer of 5‐nm‐sized Ag nanoparticles embedded in a liquid‐crystalline lipid membrane undergoes a reversible morphological change during hydration and dehydration of the lipid membrane. High mobility of the encapsulating lipid molecules, chemically bound to the Ag atoms, induces redistribution of metal particles to produce significant and optically detectable changes in nanoparticle morphology. The morphological change occurs on a time scale that enables the Ag‐nanoparticle‐embedded membrane to be used as a convenient visual sensor for moisture and other organic solvents, as well as for biosensing by virtue of the biocompatibility of the lipid molecules. The mechanism demonstrated here can also be extended to construct guided nanostructures based on self‐assembled nanoparticles.
Cancer‐Cell Targeting and Photoacoustic Therapy Using Carbon Nanotubes as “Bomb” Agents
Authors: Kang Bin , Yu Decai , Dai Yaodong , Chang Shuquan , Chen Da , Ding Yitao 
Published: March 2009

AbstractA unique approach using the large photoacoustic effect of single‐walled carbon nanotubes (SWNTs) for targeting and selective destruction of cancer cells is demonstrated. SWNTs exhibit a large photoacoustic effect in suspension under the irradiation of a 1064‐nm Q‐switched millisecond pulsed laser and trigger a firecracker‐like explosion at the nanoscale. By using such an explosion, a photoacoustic agent is developed by functionalizing the SWNTs with folate acid (FA) that can selectively bind to cancer cells overexpressing folate receptor on the surface of the cell membrane and kill them through SWNT explosion inside the cells under the excitation of millisecond pulsed laser. The uptake pathway of folate‐conjugated SWNTs into cancer cells is investigated via fluorescence imaging and it is found that the FA‐SWNTs can enter into cancer cells selectively with a high targeting capability of 17–28. Under the treatment of 1064‐nm millisecond pulsed laser, 85% of cancer cells with SWNT uptake die within 20 s, while 90% of the normal cells remain alive due to the lack of SWNTs inside cells. Temperature changes during laser treatment are monitored and no temperature increases of more than ± 3 °C are observed. With this approach, the laser power used for cancer killing is reduced 150–1500 times and the therapy efficiency is improved. The death mechanism of cancer cells caused by the photoacoustic explosion of SWNTs is also studied and discussed in detail. These discoveries provide a new way to use the photoacoustic properties of SWNTs for therapeutic applications.
Influencing factors for predicting financial performance based on genetic algorithms
Authors: Jiang Yanxia , Xu Lida , Wang Huacheng , Wang Hui 
Published: March 2009

AbstractIn this paper, considering the financial performance of China's listed companies as the dependent variable, a computational intelligence method based on genetic algorithms and discriminant analysis is employed to screen variables that influence financial performance and forecast the change of financial performance. Specifically, a new model based on genetic algorithms is developed to screen factors that influence financial performance of Chinese listed companies. The empirical results show that variables selected by genetic algorithms can predict financial performance well. Copyright © 2009 John Wiley & Sons, Ltd.
Integrating web 2.0 with the case‐based reasoning cycle: A systems approach
Authors: He Wu , Xu Li D. , Means Tawnya , Wang Pan 
Published: March 2009

AbstractTraditional case‐based reasoning (CBR) research has focused on the theories and heuristics of case representation, retrieval, reuse, revision and retention, while little attention has been paid to the users of CBR systems. In an effort to facilitate and improve the literature related to the CBR cycle as it relates to users, this paper proposes an extended CBR framework which allows users to play a more active role. The extended framework integrates the classical CBR R4‐Cycle approach with Web 2.0 technologies such as blogs and RSS (Really Simple Syndication) feeds. The purpose of the extended CBR 2.0 framework is to encourage and enable users to contribute to case retrieval, case revision, case reuse and case retention. This paper also introduces some ideas to deploy Web 2.0 technologies along with CBR systems, with a discussion of the integration of Web 2.0 and CBR systems in systems perspectives. Copyright © 2009 John Wiley & Sons, Ltd.