bluuebunny/crossref_metadata_2025_split huggingface dataset:
Seven‐Membered Intramolecular Hydrogen Bonding of Phenols: Database Analysis and Phloroglucinol Model Compounds
Authors: Castellano Ronald K. , Li Yan , Homan Edwin A. , Lampkins Andrew J. , Marín Iris V. , Abboud Khalil A. 
Published: June 2012

AbstractSeven‐membered intramolecular hydrogen bonding (7MHB) arrangements involving phenolic hydroxyl group donors have been investigated through Cambridge Structural Database (CSD) and literature mining, and by the characterization of model compounds. The CSD reveals the numerous H‐bond accepting functional groups that can participate in 7MHB when they are proximal to a phenolic OH, including alcohols, amides, amines, ethers, N‐containing heterocycles, ketones, N‐oxides, phosphates, and phosphane oxides. The HB contacts are defined by Ophenol···N and Ophenol···O distances of ca. 2.7 Å, and two dihedral angles that fall within the range of typical peptide γ‐turns. Two of the identified 7MHB motifs have been readily mapped onto the phloroglucinol (1,3,5‐trihydroxybenzene) scaffold to provide eight model compounds; intramolecular hydrogen bonding involving all three hydroxyl groups is shown to persist in solution and the solid state for the compounds. Intramolecular 7MHB enforces nonplanar conformations that should be useful when designing molecular hosts and catalysts.
Electrochemical Sensor Based on Molecularly Imprinted Polymer Film Prepared with Functional Abietic‐Type Acids as Cross‐Linker for the Determination of Quinine
Authors: Liu Li , Tan Xuecai , Fang Xiaoxue , Sun Yuexin , Lei Fuhou , Huang Zaiyin 
Published: June 2012

AbstractA novel cross‐linker (functional abietic‐type acids) for preparing highly sensitive, molecularly imprinted sensors was proposed for quinine determination. A MIP film was created on a glassy carbon electrode for determination of quinine using free radical polymerization method. The modification procedure was characterized via electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). The interaction between functional monomer and target molecule was observed by UV spectrometric methods. Under the optimal experimental conditions, the peak currents were proportional to the concentrations of quinine in the range from 8.0×10−7 to 2.6×10−4 M with a detection limit of 2.0×10−8 M. Meanwhile the prepared sensor showed sensitive and selective binding sites for quinine. Determination of quinine in tonic water showed good recovery.
An Electrochemical Impedance Immunosensor Based on Gold Nanoparticle‐Modified Electrodes for the Detection of HbA1c in Human Blood
Authors: Liu Guozhen , Iyengar Sridhar G. , Gooding J. Justin 
Published: June 2012

AbstractA label‐free immunosensor for the detection of HbA1c was developed based on gold nanoparticle (AuNP)‐aryl diazonium salt modified glassy carbon (GC) electrode where transduction is achieved using electrochemical impedance spectroscopy (EIS). GC electrodes were first modified with 4‐aminophenyl (Ph‐NH2) layers to which AuNPs were attached. Thereafter an oligo(ethylene glycol) (OEG‐COOH) species were covalently attached to the remaining free amine groups on the Ph‐NH2 surface. The AuNP surfaces were further modified with Ph‐NH2 followed by attachment of a glycosylated pentapeptide (GPP), an analogon to HbA1c. Exposure of this interface to anti‐HbA1c IgG resulted in a change in charge transfer resistance (Rct) due to the anti‐HbA1c IgG selectively complexing to the surface bound GPP. To detect the amount of HbA1c, a competitive inhibition assay was employed where the surface bound GPP and HbA1c in solution compete for the anti‐HbA1c IgG antibodies. The higher the concentration of HbA1c, the less antibody binds to the sensing interface and the lower the change of Rct. The response of the immunosensor is linear with the HbA1c% of total haemoglobin in the range of 0%–23.3%. This competitive inhibition assay can be used for the detection of HbA1c in human blood. The performance of the immunosensor for detection of HbA1c in human blood is comparable to the clinical laboratory method.
Development and validation of a capillary electrophoresis method for the determination of escitalopram and sensitive quantification of its enantiomeric impurity in formulations
Authors: Deng Xiaolan , De Wolf Joris , Vervoort Ruud , Pamperin Dirk , Adams Erwin , Schepdael Ann Van 
Published: June 2012

A rapid capillary zone electrophoresis method has been developed capable of quantifying 0.05% of R‐enantiomer and assaying the main component in escitalopram formulations. Many parameters influencing enantioseparation were investigated, which include chiral selectors, buffer composition and pH, applied voltage, capillary length, temperature, and rinsing procedure. Optimal separation conditions were obtained by using a 25 mM phosphate buffer at pH 7.0, containing 1.6% (w/v) sulfated‐β‐cyclodextrin with short‐end injection at 0.5 psi for 5 s. Online UV detection was performed at 205 nm. A voltage of −20 kV was applied and the capillary temperature was kept at 25°C. Separation was achieved in less than 2 min. The method was further validated, including robustness, stability of the solution, selectivity, linearity (escitalopram from 0.25 μg/mL to 600 μg/mL, y = 1528.3 × +1812.9; R2 = 0.9999), LOD and LOQ (0.08 and 0.25 μg/mL, respectively), precision and accuracy. The proposed method was then applied to the quality control of the bulk sample and tablets of escitalopram (10 mg).
PRIORITY SETTING IN HEALTH CARE: DISENTANGLING RISK AVERSION FROM INEQUALITY AVERSION
Authors: Echazu Luciana , Nocetti Diego 
Published: June 2012

ABSTRACTIn this paper, we introduce a tractable social welfare function that is rich enough to disentangle attitudes towards risk in health outcomes from attitudes towards health inequalities across individuals. Given this preference specification, we evaluate how the introduction of uncertainty over the severity of illness and over the effectiveness of treatments affects the optimal allocation of healthcare resources. We show that the way in which uncertainty affects the optimal allocation within our proposed specification may differ sharply from that in the standard expected utility framework. Copyright © 2012 John Wiley & Sons, Ltd.
Cross‐border Insolvency and Legal Transnationalisation
Authors: Mason Rosalind 
Published: June 2012

AbstractThe last 20 years has seen an explosion of approaches for dealing with an inevitable consequence of globalised markets, that of cross‐border insolvencies. This article places phenomena such as the United Nations Commission on International Trade Law Model Law on Cross‐border Insolvency and Cross‐border Insolvency Agreements (also known as Protocols) within the context of developing laws on international commercial transactions. First, it briefly describes the evolution of the international commercial law (sometimes known as the law merchant) to provide a context to understanding the international commercial responses to the problems created by cross‐border insolvencies. Next, it outlines the range of approaches being adopted by states and multilateral bodies in recent decades to resolve cross‐border insolvency issues. Finally it draws some preliminary conclusions on the potential implication of this transnationalisation process and broader international commercial law perspective, in particular on the capacity of cross‐border insolvency agreements to address cross‐border insolvency issues. Copyright © 2012 John Wiley & Sons, Ltd.
Generation, characterization and potential therapeutic applications of mature and functional hepatocytes from stem cells
Authors: Zhang Zhenzhen , Liu Jianfang , Liu Yang , Li Zheng , Gao Wei‐Qiang , He Zuping 
Published: June 2012

AbstractLiver cancer is the sixth most common tumor in the world and the majority of patients with this disease usually die within 1 year. The effective treatment for end‐stage liver disease (also known as liver failure), including liver cancer or cirrhosis, is liver transplantation. However, there is a severe shortage of liver donors worldwide, which is the major handicap for the treatment of patients with liver failure. Scarcity of liver donors underscores the urgent need of using stem cell therapy to the end‐stage liver disease. Notably, hepatocytes have recently been generated from hepatic and extra‐hepatic stem cells. We have obtained mature and functional hepatocytes from rat hepatic stem cells. Here, we review the advancements on hepatic differentiation from various stem cells, including hepatic stem cells, embryonic stem cells, the induced pluripotent stem cells, hematopoietic stem cells, mesenchymal stem cells, and probably spermatogonial stem cells. The advantages, disadvantages, and concerns on differentiation of these stem cells into hepatic cells are highlighted. We further address the methodologies, phenotypes, and functional characterization on the differentiation of numerous stem cells into hepatic cells. Differentiation of stem cells into mature and functional hepatocytes, especially from an extra‐hepatic stem cell source, would circumvent the scarcity of liver donors and human hepatocytes, and most importantly it would offer an ideal and promising source of hepatocytes for cell therapy and tissue engineering in treating liver disease. J. Cell. Physiol. 228: 298–305, 2013. © 2012 Wiley Periodicals, Inc.
Electromagnetic modeling of microstrip reflectarrays using scale changing technique
Authors: Tahir Farooq Ahmad , Aubert Hervé 
Published: June 2012

SUMMARYAn efficient numerical technique called scale changing technique is applied here for the electromagnetic modeling of microstrip reflectarrays. Based on the partition of the array surface into further planar sub‐domains at various scale levels, this technique allows the computation of the equivalent multiport from the simple cascade of scale changing networks. Each network models accurately the electromagnetic coupling between the various sub‐domains, including the coupling between non‐identical cells in arrays. The high flexibility of the approach associated with advantages of the integral equation formulation renders this original technique powerful and rapid for designing antenna arrays. Because the computation of scale changing networks is mutually independent, processing and memory requirements can be reduced enormously by using multiple processing units. Copyright © 2012 John Wiley & Sons, Ltd.
Relationship between histopathology of pleomorphic adenoma in the parotid gland and recurrence after superficial parotidectomy
Authors: Park Gi Cheol , Cho Kyung‐Ja , Kang Jun , Roh Jong‐Lyel , Choi Seung‐Ho , Kim Sang Yoon , Nam Soon Yuhl 
Published: June 2012

AbstractBackgroundThis study evaluated the relationships between capsular characteristics and recurrence of parotid pleomorphic adenomas.MethodsThe pathological slides and clinical data of 110 patients that underwent superficial parotidectomy for pleomorphic adenoma in the parotid gland were reviewed retrospectively. The recurrent and non‐recurrent groups comprised 10 and 100 patients, respectively. The two groups were compared with regard to their clinicopathological features, including the capsular characteristics.ResultsSatellite nodules were observed in six of the 10 recurrent group patients (60.0%) but in only 10 of the 100 non‐recurrent group patients (10.0%) (P = 0.001). Five of the recurrent group subjects (50%), but only 11 of the 100 non‐recurrent group subjects (11.0%), had positive resection margins (P = 0.006). Perioperative rupture of the tumor was observed in three recurrent group subjects (30%), but in only four of the non‐recurrent group subjects (4.0%) (P = 0.016). Multivariate analyses showed that the risk of recurrence was more than fivefold higher when satellite nodules were present (P = 0.010) and more than 14‐fold higher when the tumor had ruptured (P = 0.001).ConclusionsSatellite nodules and tumor rupture increase the risk of recurrence in patients with pleomorphic adenomas treated by superficial parotidectomy. J. Surg. Oncol. 2012; 106: 942–946. © 2012 Wiley Periodicals, Inc.
Computational Insights into ADAMTS4, ADAMTS5 and MMP13 Inhibitor Selectivity
Authors: Filomia Federico , Saxena Puneet , Durante Caterina , de Rienzo Francesca , Cocchi Marina , Menziani Maria Cristina 
Published: June 2012

AbstractThe results obtained by means of Molecular Dynamics simulations and Multiway Explorative Data Analysis on ADAMTS4, ADAMTS5 and MMP13 complexed with Marimastat and two cis‐1(S)2(R)‐amino‐2‐indanol ligands suggest that determinant characteristics for ligand binding and selectivity among the three enzymes are to be found in the different protein conformation flexibility. Moreover, the role of the TS‐domain in the inhibitor binding to ADAMTS enzymes has been investigated for the first time in this work. The results obtained suggest that the influence of the TS‐domain on the S1′ loop fluctuations of ADAMTS4 and ADAMTS5 could be exploited for the design of therapeutics for chronic osteoarthritis diseases.
Longitudinal rotating frame relaxation time measurements in infarcted mouse myocardium in vivo
Authors: Musthafa Haja‐Sherief N. , Dragneva Galina , Lottonen Line , Merentie Mari , Petrov Lyubomir , Heikura Tommi , Ylä‐Herttuala Elias , Ylä‐Herttuala Seppo , Gröhn Olli , Liimatainen Timo 
Published: June 2012

AbstractLongitudinal relaxation time in the rotating frame (T1ρ) was measured using continuous wave irradiation in normal and infarcted mouse myocardium in vivo. Significant increase in T1ρ was found after 7 days of infarction when compared with reference myocardium or in myocardium before infarction. Cine MRI and histology were performed to verify the severity of infarction. The time course of T1ρ in the infarct fits better with granulation and scar tissue formation than necrosis and edema. The results of the study show that T1ρ could potentially be a noninvasive quantitative marker for tissue remodeling after ischemic damage. Magn Reson Med, 2013. © 2012 Wiley Periodicals, Inc.
An adaptive multiscale method for crack propagation and crack coalescence
Authors: Holl M. , Loehnert S. , Wriggers P. 
Published: June 2012

SUMMARYThis work presents a new multiscale technique for the efficient simulation of crack propagation and crack coalescence of macrocracks and microcracks. The fully adaptive multiscale method is able to capture localization effect mesh independently. By modeling macrocracks and microcracks, the extended finite element method offers an accurate solution and captures cracks and their propagation without changing the mesh topology. Propagating and coaliting cracks of different length scales can therefore be easily modeled and updated during the computation process. Hence, the presented method is an efficient and accurate option for modeling cracks of different length scales. This is demonstrated in several numerical examples showing the interaction of microcracks and macrocracks. Copyright © 2012 John Wiley & Sons, Ltd.
Repairing unstructured triangular mesh intersections
Authors: McLaurin David , Marcum David , Remotigue Mike , Blades Eric 
Published: June 2012

SUMMARYComputational analysis and design has become a fundamental part of product research, development, and manufacturing in aerospace, automotive, and other industries. In general, the success of the specific application depends heavily on the accuracy and consistency of the computational model used. The aim of this work is to reduce the time needed to prepare geometry for volume grid generation. This will be accomplished by developing tools that semi‐automatically repair discrete data. Providing another level of automation to the process of repairing large, complex problems in discrete data will significantly accelerate the grid generation process. The developed algorithms are meant to offer a semi‐automated solution to a complicated geometrical problem — specifically discrete mesh intersection.The intersection‐repair strategy presented here focuses on repairing the intersection in‐place as opposed to rediscretizing the intersecting geometries. Combining robust, efficient methods of detecting intersections and then repairing intersecting geometries in‐place produces a significant improvement over techniques used in current literature. The result of this intersection process is a nonintersecting geometry that is free of duplicate and degenerate geometry. Results are presented showing the accuracy and consistency of the intersection repair tool. Copyright © 2012 John Wiley & Sons, Ltd.
Was the Dog Locally Domesticated in the Danube Gorges? Morphometric Study of Dog Cranial Remains From Four Mesolithic–Early Neolithic Archaeological Sites by Comparison With Contemporary Wolves
Authors: Dimitrijević V. , Vuković S. 
Published: June 2012

AbstractIn this article, we test a hypothesis about local dog domestication in the Danube Gorges of the central Balkans in the course of the Mesolithic period. Morphometric features of dog mandibles and teeth from Mesolithic–Early Neolithic sites of Vlasac, Padina, Lepenski Vir, and Hajdučka Vodenica have been analysed and compared with recent wolves from the central Balkans. Decrease in size and changes in proportions of dog's dental features were tracked diachronically. We identified specimens which manifested mixed wolf/dog features. Such specimens originate from the Early Mesolithic contexts, the time when a decrease in size began. On the basis of this pattern, we suggest that dog domestication may have taken place in the Danube Gorges during the Early Mesolithic (ca 9500–7500 cal. bc). The reduction of size continued throughout Late Mesolithic (ca 7500–6300 cal. bc), but there were still individuals that might be regarded as ‘transitional’ in comparison with wolves on account of their size, and a distinct difference in size between wolves and dogs did not develop. Accordingly, if local domestication was in progress here, the domestication process might have lasted for more than just few generations and even several millennia. Copyright © 2012 John Wiley & Sons, Ltd.
Demonstrating the psychometric properties of a problem‐related distress screener in a community sample of 319 cancer survivors
Authors: Miller Melissa F. , Buzaglo Joanne S. , Clark Karen L. , Loscalzo Matthew J. , Kennedy Victoria , Taylor Julie , Dougherty Kasey Ryan , Golant Mitch 
Published: June 2012

AbstractObjectiveThe purpose was to test the psychometric properties of a 36‐item community‐based problem‐related distress screening tool, among 319 cancer survivors recruited across 14 affiliates of the Cancer Support Community.MethodsInternal reliability was estimated using Cronbach's alpha coefficient. Test–retest reliability was assessed using the intra‐class correlation coefficient (ICC). Concurrent validity was determined by correlations with the Functional Assessment of Cancer Therapy‐General Well‐Being Scale (FACT‐G), the Center for Epidemiologic Studies Depression Scale (CES‐D), and the Distress Thermometer (DT) and receiver operating characteristic (ROC) curve analysis using the CES‐D (≥16) and DT (≥4) as the criterion. Non‐parametric analysis of variance was used to establish discriminant validity.ResultsThe distress screener demonstrated high internal consistency (Cronbach's alpha = 0.91) and strong test–retest reliability (ICC ≥ 0.75). Summary scores of the distress screener correlated substantially with the FACT‐G (R2 = 0.58, p < 0.001), CES‐D (R2 = 0.48, p < 0.001), and DT (R2 = 0.35, p < 0.001) indicating strong concurrent validity and were able to discriminate groups of clinical relevance. ROC analyses showed a cutoff score of 8 for problem items rated ≥3 had optimal sensitivity and specificity relative to the CES‐D and DT.ConclusionsThe distress screener shows strong psychometric properties and can be considered a valuable community‐based instrument to screen for psychological distress related to social, emotional, physical, and other patient‐related symptoms and problems. This study is the first to address the chasm between hospital and community‐based screening by validating a community‐based instrument and has begun to demonstrate the feasibility of screening in the community. Copyright © 2012 John Wiley & Sons, Ltd.
Robotic‐assisted treatment of celiac artery compression syndrome: report of a case and review of the literature
Authors: Meyer Mark , Gharagozloo Farid , Nguyen Duy , Tempesta Barbara , Strother Eric , Margolis Marc 
Published: June 2012

AbstractBackgroundThe surgical management of celiac artery compression syndrome (CACS) is controversial. Controversies include the appropriate surgical technique, the surgical approach, and the utility of postoperative stents. The literature is reviewed, and a case of CACS is presented in which a robotic‐assisted division of the median arcuate ligament (MAL) was performed.MethodsRobotic‐assisted treatment of celiac artery syndrome was carried out using six (five 1 cm and one 2 cm) abdominal incisions. The robotic device was used to expose the aorta and celiac artery and divide the median arcuate ligament.ResultsPostoperatively, the patient's postprandial abdominal pain subsided. On 16 month follow‐up, the patient was doing well, tolerated an unrestricted diet without symptoms, and exhibited weight gain.ConclusionThis case is the second reported in the literature and demonstrates that the robotic approach to division of the MAL is feasible, safe, and efficacious. Copyright © 2012 John Wiley & Sons, Ltd.
Teaching the nature of science through scientific errors
Authors: Allchin Douglas 
Published: June 2012

AbstractError in science is a prime occasion to teach the nature of science, especially the central feature of tentativeness. Error types also reflect corresponding methodologies of science, critical for practicing science and (in a context of scientific literacy) analyzing its claims. Effective efforts in teaching about error will ideally be informed by earlier educational perspectives and a schema for inventorying and organizing error types. Approaches using student‐directed inquiry have limits, whereas guided‐inquiry historical case studies seem appropriate vehicles. On a larger scale, one may also envision a prospective learning progression on successively deeper understandings of error in science. Sample case studies and opportunities for further reading are identified. © 2012 Wiley Periodicals, Inc. Sci Ed96:904–926, 2012
New Techniques to Detect the Suitable Time to Close the Tap Hole of a Blast Furnace
Authors: Ruiz‐Bustinza Iñigo , Antoranz Juan Carlos , Mochón Javier , Rodriguez Daniel , Parra Roberto , Verdeja Luis Felipe , Martin Ramón 
Published: June 2012

AbstractThe closing of a BF tap hole, as a final end to an optimum pig iron and slag tapping contained in the hearth, is an operation that requires the plant operator's complex background to recognize the instant in which the tap hole must be closed; this way avoiding dangerous phenomena relating to whistlinga. In this paper, two systems are described – which may act concurrently – of advisement to the plant's operator in order to warn him of when he must close the tap hole. One of them is based in the processing of the EMF probe signals, which measure the electromotive force between two points of the hearth shell. These probes are welded to the BF shell under study and are located on top and underneath the respective tap hole. The second system uses image treatment of pig iron and slag flow casting coming out of the tap hole in this hostile environment.