bluuebunny/crossref_metadata_2025 huggingface dataset:
Reliability in grid computing systems
Authors: Dabrowski Christopher
Published: February 2009

In recent years, grid technology has emerged as an important tool for solving compute‐intensive problems within the scientific community and in industry. To further the development and adoption of this technology, researchers and practitioners from different disciplines have collaborated to produce standard specifications for implementing large‐scale, interoperable grid systems. The focus of this activity has been the Open Grid Forum, but other standards development organizations have also produced specifications that are used in grid systems. To date, these specifications have provided the basis for a growing number of operational grid systems used in scientific and industrial applications. However, if the growth of grid technology is to continue, it will be important that grid systems also provide high reliability. In particular, it will be critical to ensure that grid systems are reliable as they continue to grow in scale, exhibit greater dynamism, and become more heterogeneous in composition. Ensuring grid system reliability in turn requires that the specifications used to build these systems fully support reliable grid services. This study surveys work on grid reliability that has been done in recent years and reviews progress made toward achieving these goals. The survey identifies important issues and problems that researchers are working to overcome in order to develop reliability methods for large‐scale, heterogeneous, dynamic environments. The survey also illuminates reliability issues relating to standard specifications used in grid systems, identifying existing specifications that may need to be evolved and areas where new specifications are needed to better support the reliability. Published in 2009 by John Wiley & Sons, Ltd.
A survey and review of the current state of rollback‐recovery for cluster systems
Authors: Maloney Andrew , Goscinski Andrzej
Published: February 2009

A variety of research problems exist that require considerable time and computational resources to solve. Attempting to solve these problems produces long‐running applications that require a reliable and trustworthy system upon which they can be executed. Cluster systems provide an excellent environment upon which to run these applications because of their low cost to performance ratio; however, due to being created using commodity components they are prone to failures. This report surveyed and reviewed the issues currently relating to providing fault tolerance for long‐running applications. Several fault tolerance approaches were investigated; however, it was found that rollback‐recovery provides a favourable approach for user applications in cluster systems. Two facilities are required to provide fault tolerance using rollback‐recovery: checkpointing and recovery. It was shown here that a multitude of work has been done for enhancing checkpointing; however, the intricacies of providing recovery have been neglected. The problems associated with providing recovery include; providing transparent and autonomic recovery, selecting appropriate recovery computers, and maintaining a consistent observable behaviour when an application fails. Copyright © 2009 John Wiley & Sons, Ltd.
Resonance‐Enhanced Multiphoton Ionisation of Purine
Authors: Schneider Michael , Hain Tilman , Fischer Ingo
Published: February 2009

State‐of‐the‐art molecular‐beam techniques reveal that the lowest lying electronic excited state in purine is the nπ* state. Using multiphoton ionization spectroscopy, the origin is found to occur at 31 309 cm−1, and a vibrational structure is visible that is assigned to the skeletal motion of the ring (see figure).

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Self‐Assembly of Alkoxy‐Substituted Bis(hydrazone)‐Based Organic Ligands and of a Metallosupramolecular Grid on Graphite
Authors: Pace Giuseppina , Stefankiewicz Artur , Harrowfield Jack , Lehn Jean‐Marie , Samorì Paolo
Published: February 2009

On edge: Self‐assembled monolayers of a bis(hydrazone)‐based molecular grid physisorbed on graphite are studied by scanning tunneling microscopy (see picture). High order is attained at the supramolecular level by thermal annealing of the grid‐based films. A preferential edge‐on configuration of the molecular grid with respect to the substrate is found.

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Self‐assembly of a bis(hydrazone) chelating ligand functionalized with octadecyloxy substituents is described, as well as the reproducible thermally activated self‐assembly of its metallosupramolecular cationic CoII [2×2] grid‐type complex, on a highly oriented pyrolitic graphite (HOPG) substrate. Scanning tunnelling microscopy measurements at the solid/liquid interface reveal that the grid units of the annealed films are oriented edge‐on to the basal plane of the HOPG, which indicates that the influence of the octadecyl chains is not sufficient to tie the grids into a face‐on orientation. To gain a detailed understanding of the self‐assembly behaviour of the grid on HOPG, the results for the grid itself have been compared to those of its constituent ligands.
Photolysis of 1‐C4H9I and 2‐C4H9I at 266 nm: Direct Observation of the Effect of Branching on the Photodissociation Mechanism
Authors: Liu Yuzhu , Zheng Qiusha , Zhang Yan , Zhang Rongrong , Wang Yanmei , Zhang Bing
Published: February 2009

Velocity ion imaging (see figure) is used to analyze the photodissociation mechanism of 1‐C4H9I (left image) and 2‐C4H9I (right image) at 266 nm. For 2‐C4H9I, a new channel for formation of I and I* atoms is observed. It is attributed to the repulsive mode along the CI stretch, coupled with some bending motions.

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Photodissociation dynamics of 1‐C4H9I and 2‐C4H9I at 266 nm is investigated by velocity ion imaging. Photodissociation channels of 1‐C4H9I and 2‐C4H9I are analyzed and compared. For 1‐C4H9I the photodissociation dynamics only correlates with direct dissociation via repulsive surfaces. While for 2‐C4H9I, a new formation channel of I and I* atoms is observed. It is attributed to the repulsive mode along the CI stretch, coupled with some bending motions. As the alkyl group becomes more branched, the contribution of bending modes to I and I* is much more obvious in the photodissociation of 2‐C4H9I than in that of 1‐C4H9I. Additionally, the curve‐crossing probability between 3Q0 and 1Q1 increases greatly with branching, from 0.31 for 1‐C4H9I to 0.70 for 2‐C4H9I in the prompt dissociation channel; the relative quantum yield for I* decreases strongly with branching, from 0.65 for 1‐C4H9I to 0.28 for 2‐C4H9I.
The significance of endocervical cells and metaplastic squamous cells in liquid‐based cervical cytology
Authors: Leung Kai M. , Lam Manbo , Lee Joyce W. Y. , Yeoh Gary P. S. , Chan Keeng W.
Published: February 2009

We conducted a retrospective study to investigate whether the presence or absence of endocervical cells (EC) and metaplastic squamous cells (MSC) was associated with the detection of squamous intraepithelial lesions in liquid‐based cervical cytology. 90,376 cases of liquid‐based cervical cytology smears received in 2006 were included in the study. Low‐grade (LSIL) and high‐grade squamous intraepithelial lesions (HSIL) were classified according to the Bethesda system (2001). The rates of detecting LSIL and HSIL in smears with and without EC and/or MSC were determined. There were 1,540 LSIL and 396 HSIL. The ratio of HSIL/NILM (no intraepithelial lesion or malignancy) was 0.0022 in smears without EC or MSC, 0.0040 in smears with EC only, 0.0044 in smears with MSC only, and 0.0056 in smears with both EC and MSC present. Compared with smears without EC or MSC, this ratio was significantly higher (P < 0.05) when either EC or MSC was present. Compared with smears with EC only, the ratio was also significantly higher when both EC and MSC were present (P < 0.05). On the other hand, the presence or absence of EC had no effect on the detection rate of LSIL (0.0191 for both groups), while the presence of MSC was actually associated with lower detection rate of LSIL (0.0153, P < 0.05). The presence of endocervical and metaplastic cells was associated with higher detection rates of HSIL. MSC was associated with lower detection or LSIL. Diagn. Cytopathol. 2009. © 2009 Wiley‐Liss, Inc.
Papillary thyroid carcinoma with atypical histiocytoid cells on fine‐needle aspiration
Authors: Harshan Manju , Crapanzano John P. , Aslan Deniz L. , Vazquez Madeline F. , Saqi Anjali
Published: February 2009

Although papillary thyroid carcinoma (PTC) usually has classic cytological characteristics on fine‐needle aspiration (FNA), it can present rarely with aberrant features resembling those of histiocytes in a cystic nodule. The aim of the current study was to describe PTC with atypical histiocytoid cells and distinguish it from benign histiocytes. A retrospective computerized search for FNAs with atypical features suggestive of PTC and cystic degeneration was performed, and if available, the corresponding resection specimens were compared. Four cases met the criteria for FNAs and three had surgical pathology follow‐up, which showed PTC. One aspirate had some features typical of PTC, but the remaining FNAs had atypical histiocytoid cells, which had traits intermediate between those of PTC and histiocytes. Large cell size, pseudoinclusions, nuclear grooves, and multiple well‐defined vacuoles in atypical histiocytoid cells favor PTC over benign histiocytes. Ancillary immunocytochemical studies can also be useful in confirming the diagnosis. Histiocytic cells are frequently present in thyroid aspirates, and occasionally, they have atypical features that represent an unusual presentation of PTC. Closer examination of these cells can provide diagnostic clues for preventing false‐negative diagnosis of PTC. Diagn. Cytopathol. 2009. © 2009 Wiley‐Liss, Inc.
A case of urothelial carcinoma with triple variants featuring nested, plasmacytoid, and lipoid cell morphology
Authors: Shimada Keiji , Nakamura Mitsutoshi , Konishi Noboru
Published: February 2009

We present very rare variants of urothelial carcinoma featuring nested, plasmacytoid, and lipoid cell morphology in an 80‐year‐old female who was admitted to our hospital with mictritional pain and bilateral hydronephrosis. Abdominal computed tomography showed diffuse thickening of the urinary bladder, indicating probable invasion into the surrounding adipose tissue. Cytological tests on a urine specimen revealed medium‐sized cancer cell clusters with hyperchromatic nuclei and dense cytoplasm, small clusters of dyshesive cells with eccentric or crescent nuclei, and abundant or vacuolated cytoplasm mimicking plasma cells or lipoblasts. Histopathological findings of the bladder tumor revealed that the nested urothelial carcinoma variants were mainly located in the lamina propria, whereas the plasmacytoid and lipoid‐cell variants had deeply infiltrated into cells with a myxoid background. Immunohistochemically, the cancer cells were positive for cytokeratin, epithelial membrane antigen, but not for vimentin, S‐100, or hematopoietic markers of plasma cells such as CD79α and CD38. The patient received no radiosurgical therapies because of the advanced stage of her disease and died a few months after the initial diagnosis. To our knowledge, this is the first cytological and histological examination of urothelial carcinoma consisting of nested, plasmacytoid, and lipoid‐cell variants of the urinary bladder. Diagn. Cytopathol. 2009. © 2009 Wiley‐Liss, Inc.
Cytologic and immunocytochemical features of EBV negative primary effusion lymphoma: Report on seven Japanese cases
Authors: Kishimoto Koji , Kitamura Takashi , Hirayama Yoshiko , Tate Genshu , Mitsuya Toshiyuki
Published: February 2009

Primary effusion lymphoma (PEL) is very rare type of non‐Hodgkin's lymphoma (NHL) usually confined to the body cavities such as the pleural space, pericardium, and peritoneum. PEL is a human herpes virus‐8 (HHV‐8)‐associated lymphoma and commonly observed in human immunodeficiency virus (HIV)‐infected patients. However, HIV‐infected patients are extremely fewer in Japan in comparison with those in Western countries; PEL is usually not associated with HIV infection in Japan. This report presents seven Japanese cases of PEL. In situ hybridization revealed that the PEL cells were negative for EBV in all cases. An immunocytological analysis showed that only one case was positive for HHV‐8, and PEL cells were positive for CD20 in all cases. MUM1 was positive, but CD10 and CD138 were negative in six cases. One case each was positive for CD30 and BCL‐6. The phenotypic patterns of HIV‐related is BCL6−/MUM1+/CD138+, thus, the phenotypic findings observed by immunocytochemistry in this study were somehow different from those reported in Western countries. However, the cytomorphological features of PEL cells showed large cell size, abundant basophilic cytoplasm, coarse chromatin, and occasional binucleated or multinucleated cells, similar to a large cell immunoblastic and anaplastic large cell lymphoma, indicating that the cytomorphological characteristics of PE cells in Giemsa and Papanicolaou stain were consistent with those reported abroad. The prognosis for PEL in these cases was poor, but the survival time was variable ranging from 1 month to 54 months, and was different from that of Western cases. No p16/CDKN2A expression was observed, and one case showed PEL cells with a BLIMP1 mutation. Diagn. Cytopathol. 2009. © 2009 Wiley‐Liss, Inc.
Decidualized endometrioma diagnosed by fine needle aspiration cytology: A case report with immunocytochemical confirmation
Authors: El‐Gohary Yasser M. , Garcia Monica T. , Ganjei‐Azar Parvin
Published: February 2009

Endometriosis is defined as ectopic endometrial tissue which can respond to hormonal stimulation. Cutaneous endometriosis is a rare pathologic entity that can represent a clinical diagnostic challenge. We report a case of a decidualized endometrioma in a 24‐year old pregnant African American woman diagnosed by fine needle aspiration cytology and confirmed by immunocytochemistry using CD10, ER, and Calretinin. The awareness of the pathologist of the cytologic characteristics of this uncommon entity is important to avoid diagnostic pitfalls and unnecessary diagnostic interventions during pregnancy. Diagn. Cytopathol. 2009. © 2009 Wiley‐Liss, Inc.
Imprint smear cytology of chondroblastic osteosarcoma: A case report
Authors: Mehdi Ghazala , Siddiqui Farhan , Maheshwari Veena , Khan Abdul Qayuum
Published: February 2009

Imprint cytology is gaining increasing popularity in the diagnosis of musculoskeletal lesions and in many patients; a definitive diagnosis can be rendered from aspiration smears alone. However, evaluation of tissue architecture is a major limitation and therefore cytological diagnosis has to be confirmed on histopathology. The authors take this opportunity to report a case of chondroblastic osteosarcoma occurring in the middle 1/3rd of the left thigh in a 35 year old male, diagnosed on imprint cytology and confirmed on histopatholgy. Diagn. Cytopathol. 2009. © 2009 Wiley‐Liss, Inc.
Cytodiagnosis of actinomycetoma
Authors: Fernandes Hilda , D'Souza Clement R. S. , Shekar Jayaprakash C. , Marla Nisha J. , Swethadri Gumballi K. , Naik Ramesh
Published: February 2009

Mycetoma is a late clinical manifestation of a subcutaneous infection produced by bacteria (actinomycetoma) or fungi (eumycetoma). The distinction between eumycetoma and actinomycetoma in Fine Needle Aspiration Cytology (FNAC) is as accurate as histopathology. A 55 year old man presented with a slow growing swelling on the plantar aspect of the right foot which was present for the last 10 years. A clinical diagnosis of soft tissue tumor was made and FNAC was advised. Smears revealed mixed inflammatory infiltrate and foreign body type of giant cells along with clumps of fibrillar organisms. Gram stain done later demonstrated gram positive thin branching filaments. A diagnosis of actinomycetoma was rendered. Histopathology of the excised specimen confirmed the cytologic diagnosis of actinomycetoma. Mycetoma can be accurately diagnosed by FNAC, which is a simple, inexpensive technique for rapid diagnosis. Diagn. Cytopathol. 2009. © 2009 Wiley‐Liss, Inc.
Medium‐chain fatty acids ameliorate insulin resistance caused by high‐fat diets in rats
Authors: Wein Silvia , Wolffram Siegfried , Schrezenmeir Jürgen , Gašperiková Daniela , Klimeš Iwar , Šeböková Elena
Published: February 2009

Background High dietary intake of saturated fat impairs insulin sensitivity and lipid metabolism. The influence of fatty acid chain length, however, is not yet fully understood, but evidence exists for different effects of saturated long‐chain (LC) versus saturated medium‐chain (MC) fatty acids (FA).

Methods To investigate the effects of the FA chain length, male Wistar rats were fed high‐fat diets containing triacylglycerols composed of either MC‐ or LCFA for 4 weeks; rats fed maintenance diet served as a control. The animals underwent euglycemic hyperinsulinemic clamping or oral metabolic tolerance testing respectively; enzyme activities of mitochondrial (EC2.3.1.21 carnitine palmitoyl transferase) and peroxisomal (EC1.3.3.6 acyl‐CoA oxidase) FA oxidation were measured in liver and muscle.

Results LCFA consumption resulted in higher fasted serum insulin and glucose concentrations compared to controls, while MCFA‐fed animals did not differ from controls. Insulin sensitivity was reduced by 30% in the LCFA group while the MCFA group did not differ from controls. Feeding MCFA resulted in the controls' lowered fasted and post‐prandial triacylglycerol concentration compared to LCFA, while triacylglycerol concentrations in muscle were higher in both high‐fat groups compared to controls. No diet‐induced changes were found in acyl‐CoA oxidase (ACO) activity (liver and muscle), while LCFA feeding significantly raised carnitine palmitoyltransferase activity.

Conclusions The chain length of saturated fatty acids in isocaloric diets affects insulin sensitivity, lipid metabolism and mitochondrial fatty acid oxidation without influencing body weight. While dietary LCFA clearly impair insulin sensitivity and lipid metabolism, MCFA seem to protect from lipotoxicity and subsequent insulin resistance without caloric restriction. Copyright © 2009 John Wiley & Sons, Ltd.
Reactivity of a Super‐Electron‐Rich Olefin Derived from Cyclam
Authors: Lappert Michael F. , Álvarez Santiago , Aullón Gabriel , Fandos Rosa , Otero Antonio , Rodríguez Ana , Rojas Sergio , Terreros Pilar
Published: February 2009

A series of new compounds has been synthesised from an electron‐rich olefin derived from cyclam (A). Thus, A reacts with oxygen gas to give the syn‐bis(urea) 1 and with sulfur to yield the anti‐bis(thiourea) 2. The reaction of A with triflic acid furnishes the bis(imidazolium) triflate 3, which gives the monoprotonated imidazolium salt 4 upon treatment with sodium tetraphenylborate in water. Theoretical calculations (DFT) predict the diprotonated species to be energetically disfavoured, thus demonstrating the importance of hydrogen‐bonding interactions. Treatment of compound 3 with silver oxide affords the di‐ and monoprotonated cationic salts 5a and 5b in THF and dichloromethane, respectively. The molecular structures of compounds 1, 2, 3, 4, 5a and 5b have been established by X‐ray diffraction. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Cap‐Assisted Synthesis of Hetero‐Trifunctional Cyclodextrins, from Flamingo Cap to Bascule Bridge
Authors: Sollogoub Matthieu
Published: February 2009

This microreview focuses on the use of cyclodextrin‐capping for the selective synthesis of cyclodextrins bearing three different functionalities. Three strategies have been employed and are discussed: dissymmetrical capping, regioselective opening of a symmetrical cap, and the more efficient cap‐oriented regioselective deprotection. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Synthesis of the C11–C23 Fragment of the Potent Antitumor Agent Dictyostatin
Authors: Dias Luiz C. , Lima Dimas J. P. , Gonçalves Caroline C. S. , Andricopulo Adriano D.
Published: February 2009

We wish to report here our initial efforts toward the total synthesis of the potent antitumor agent dictyostatin, describing a short and efficient synthesis of the C11–C23 fragment. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Continuous‐Flow Microreactor Chemistry under High‐Temperature/Pressure Conditions
Authors: Razzaq Tahseen , Glasnov Toma N. , Kappe C. Oliver
Published: February 2009

High‐temperature organic synthesis can be performed under continuous‐flow conditions in a stainless steel microtubular flow reactor capable of achieving temperatures of 350 °C and 200 bar. Under these extreme experimental environments transformations normally performed in a high‐boiling solvent at reflux temperature – or under sealed‐vessel microwave conditions – can be readily converted to a flow regime by using lower boiling solvents in or near their supercritical state.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
The Fabrication of Structurally Multiordered Polyaniline Films and Their Application in Electrochemical Sensing and Biosensing
Authors: Kazimierska Ewa , Muchindu Munkombwe , Morrin Aoife , Iwuoha Emmanuel , Smyth Malcolm R. , Killard Anthony J.
Published: February 2009

Structurally multiordered thin films composed of conducting polymer polyaniline (PANI) were fabricated on home‐made screen‐printed carbon electrodes (SPEs). Formation of monolayered sulfate‐ or amine‐modified PS templates on bulk polyaniline was assisted by various polyelectrolytes – negatively charged poly(sodium 4‐styrenesulfonate) (PSS) and positively charged poly(diallyldimethylammonium chloride) (PDDA). Additional layers of PANI with controlled thickness were electrodeposited on the templated PANI‐SPEs. Different morphologies of the outermost PANI films were obtained including PS‐PANI core‐shell and PS‐PANI composites. It is shown that the surface charge of PS templates determines different mechanisms of polymer growth, which results in the above structures. The fact that nanostructured PANI films are grown on bulk PANI significantly increases the surface area and enhances the catalytic properties of such films. Removal of template particles by dissolving in toluene resulted in PANI hollow spheres and dimpled, semi‐porous PANI films, respectively. As‐prepared electrodes were used for the electrocatalytic reduction of nitrite. Upon further modifications with horseradish peroxidase, a biosensor was developed which could be used for the amperometric determination of H2O2. In the case of both analytes, catalytic responses were obtained only on multiordered PANI films. Difference in responses have been explained in terms of different morphologies and the different thickness of the outermost layers of PANI.
Effect of ultrasound‐assisted maceration on the quality of oil from the leaves of thyme Thymus vulgaris L.
Authors: Kowalski Radosław , Wawrzykowski Jacek
Published: February 2009

This study aimed to evaluate whether preliminary ultrasound‐assisted maceration (UAM) has positive effects on quantitative essential oil separation from leaves of thyme (Thymus vulgaris L.). Moreover, the present work compares the chemical, qualitative and quantitative composition of essential oils obtained from thyme through steam distillation preceded by preliminary classical maceration (CM) in water and UAM over periods of 10, 20, 60 and 120 mins. The 20 min UAM significantly affected the increase of distilled oil yield (about 9%) as compared to the control sample (not modified by maceration or sonification). Longer UAM processing did not have considerable effects on the oil yield achieved from the material studied. The content of the main components received from the oil was also examined. Changes in composition of the essential oil obtained from steam distillation after preliminary maceration were within the range of requirements of the European Pharmacopoeia. After 120 min of CM and UAM, a decrease of thymol by respectively 6% and 12%, carvacrol at respectively 9% and 14%, p‐cymene at respectively 14% and 17%, and an increase of γ‐terpinene concentration at respectively 53% and 35% was noted in the essential oil. Copyright © 2009 John Wiley & Sons, Ltd.
The effect of daily caffeine use on cerebral blood flow: How much caffeine can we tolerate?
Authors: Addicott Merideth A. , Yang Lucie L. , Peiffer Ann M. , Burnett Luke R. , Burdette Jonathan H. , Chen Michael Y. , Hayasaka Satoru , Kraft Robert A. , Maldjian Joseph A. , Laurienti Paul J.
Published: February 2009

Caffeine is a commonly used neurostimulant that also produces cerebral vasoconstriction by antagonizing adenosine receptors. Chronic caffeine use results in an adaptation of the vascular adenosine receptor system presumably to compensate for the vasoconstrictive effects of caffeine. We investigated the effects of caffeine on cerebral blood flow (CBF) in increasing levels of chronic caffeine use. Low (mean = 45 mg/day), moderate (mean = 405 mg/day), and high (mean = 950 mg/day) caffeine users underwent quantitative perfusion magnetic resonance imaging on four separate occasions: twice in a caffeine abstinent state (abstained state) and twice in a caffeinated state following their normal caffeine use (native state). In each state, there were two drug conditions: participants received either caffeine (250 mg) or placebo. Gray matter CBF was tested with repeated‐measures analysis of variance using caffeine use as a between‐subjects factor, and correlational analyses were conducted between CBF and caffeine use. Caffeine reduced CBF by an average of 27% across both caffeine states. In the abstained placebo condition, moderate and high users had similarly greater CBF than low users; but in the native placebo condition, the high users had a trend towards less CBF than the low and moderate users. Our results suggest a limited ability of the cerebrovascular adenosine system to compensate for high amounts of daily caffeine use. Hum Brain Mapp 2009. © 2009 Wiley‐Liss, Inc.
Iterative diagonalization for orbital optimization in natural orbital functional theory
Authors: Piris M. , Ugalde J. M.
Published: February 2009

A challenging task in natural orbital functional theory is to find an efficient procedure for doing orbital optimization. Procedures based on diagonalization techniques have confirmed its practical value since the resulting orbitals are automatically orthogonal. In this work, a new procedure is introduced, which yields the natural orbitals by iterative diagonalization of a Hermitian matrix F. The off‐diagonal elements of the latter are determined explicitly from the hermiticity of the matrix of the Lagrange multipliers. An expression for diagonal elements is absent so a generalized Fockian is undefined in the conventional sense, nevertheless, they may be determined from an aufbau principle. Thus, the diagonal elements are obtained iteratively considering as starting values those coming from a single diagonalization of the matrix of the Lagrange multipliers calculated with the Hartree‐Fock orbitals after the occupation numbers have been optimized. The method has been tested on the G2/97 set of molecules for the Piris natural orbital functional. To help the convergence, we have implemented a variable scaling factor which avoids large values of the off‐diagonal elements of F. The elapsed times of the computations required by the proposed procedure are compared with a full sequential quadratic programming optimization, so that the efficiency of the method presented here is demonstrated. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009
Review: Microscale methods for high‐throughput chromatography development in the pharmaceutical industry
Authors: Chhatre Sunil , Titchener‐Hooker Nigel J.
Published: February 2009

Demands within the pharmaceutical sector to cut costs and improve process efficiencies have grown considerably in recent years. Major challenges exist for companies trying to establish financially viable and robust manufacturing processes for increasingly complex therapeutics. These issues have driven the investigation of miniaturised process‐design techniques by which to identify suitable operating conditions using small volumes of feed material typical of that available in the early stages of bioprocess development. Such techniques are especially valuable for the optimisation of chromatographic separations, which often represent a significant percentage of manufacturing costs and hence for which there is a pressing need to determine the best operating policies. Several methods employing microlitre volumes of sample and resin have been explored recently, which are aimed at the high‐throughput and cost‐effective exploration of the design space for chromatographic separations. This methodology paper reviews these microscale approaches and describes how they work, gives examples of their application, discusses their advantages and disadvantages and provides a comparative assessment of the different methods, along with a summary of the challenges that remain to be overcome in relation to these techniques. Copyright © 2009 Society of Chemical Industry
Genetic basis of tooth agenesis
Authors: Nieminen Pekka
Published: February 2009

Tooth agenesis or hypodontia, failure to develop all normally developing teeth, is one of the most common developmental anomalies in man. Common forms, including third molar agenesis and hypodontia of one or more of the incisors and premolars, constitute the great majority of cases. They typically affect those teeth that develop latest in each tooth class and these teeth are also most commonly affected in more severe and rare types of tooth agenesis. Specific vulnerability of the last developing teeth suggests that agenesis reflects quantitative defects during dental development. So far molecular genetics has revealed the genetic background of only rare forms of tooth agenesis. Mutations in MSX1, PAX9, AXIN2 and EDA have been identified in familial severe agenesis (oligodontia) and mutations in many other genes have been identified in syndromes in which tooth agenesis is a regular feature. Heterozygous loss of function mutations in many genes reduce the gene dose, whereas e.g. in hypohidrotic ectodermal dysplasia (EDA) the complete inactivation of the partially redundant signaling pathway reduces the signaling centers. Although these mechanisms involve quantitative disturbances, the phenotypes associated with mutations in different genes indicate that in addition to an overall reduction of odontogenic potential, tooth class‐specific and more complex mechanisms are also involved. Although several of the genes so far identified in rare forms of tooth agenesis are being studied as candidate genes of common third molar agenesis and incisor and premolar hypodontia, it is plausible that novel genes that contribute to these phenotypes will also become identified. J. Exp. Zool. (Mol. Dev. Evol.) 312B:320–342, 2009. © 2009 Wiley‐Liss, Inc.
Critical illness polyneuromyopathy in a patient with disseminated cryptococcal infection
Authors: Wu Jenn‐Yu , Wu Shang‐Gin , Sun Hsin‐Yun , Kuo Ping‐Hung , Yang Pan‐Chyr
Published: February 2009

Critical illness polyneuromyopathy is frequent in patients in intensive care units. We report a case of critical illness polyneuromyopathy in a patient with disseminated cryptococcal infection in an intensive care unit. Journal of Hospital Medicine 2009;4:E3–E6. © 2009 Society of Hospital Medicine.
Coding and documentation: Medicare severity diagnosis‐related groups and present‐on‐admission documentation
Authors: Ballentine Noel H.
Published: February 2009

Effective October 1, 2007, the Centers for Medicare and Medicaid Services has changed its methodology for determining the diagnosis‐related group for hospitalized patients. In an effort to more accurately reflect severity of illness, the 538 diagnosis‐related groups have been converted to 745 new Medicare severity diagnosis‐related groups. In addition, selected hospital‐acquired complications not identified as present on admission will no longer be reimbursed. The changes will have profound effects on reimbursement for hospitalizations. To minimize financial losses under the new rules, hospitals and physicians will have to devote significant resources and attention to improved documentation. This article will discuss the new payment system, the physician's role in ensuring that all clinically important diagnoses are captured by coding specialists, and strategies that can be employed to respond proactively to the challenge. Journal of Hospital Medicine 2009;4:124–130. © 2009 Society of Hospital Medicine.
Isolation and preliminary probiotic selection of lactobacilli from koumiss in Inner Mongolia
Authors: Wu Rina , Wang Liping , Wang Jicheng , Li Haiping , Menghe Bilige , Wu Junrui , Guo Mingruo , Zhang Heping
Published: February 2009

From 16 samples of traditional fermented koumiss collected in Inner Mongolia Autonomous Region of China, forty‐eight lactobacilli strains were isolated and phenotypically characterized by their abilities to ferment different carbohydrates and by additional biochemical tests. The dominant lactobacilli species were identified as L. casei (17 strains), L. helveticus (10 strains) and L. plantarum (8 strains), with a lower frequency of isolation for L. coryniformis subsp. coryniformis (5 strains), L. paracasei (3 strains), L. kefiranofaciens (2 strains), L. curvatus (1 strain), L. fermentum (1 strain) and W. kandleri (1 strain). The pH values of all these samples were ranging from 3.37 to 3.94. In isolates, L. casei Zhang, L. helveticus ZL12‐1, and L. plantarum BX6‐6 were selected as potentially probiotic strains through the preliminary tests including resistance to low acid, abilities to grow in MRS with bile salts, antimicrobial activities and the viabilities during prolonged cold storage in fermented milk. Moreover 16S rDNA was conducted to confirm the identification. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Isolation and characterization of biocides resistant bacteria from dental unit water line biofilms
Authors: Liaqat Iram , Sabri Anjum Nasim
Published: February 2009

Six biocides resistant isolates were isolated from dental unit water lines (DUWL) in Pakistan. All isolates could tolerate 150 μg ml–1 of biocides (5.25% sodium hypocholrite, 35% H2O2, 4% tween 20, 1% povidine iodine, 0.2% chlorohexidine gluconate, 1% ethylene di‐amino tetra acetic acid and 1% phenol) on l‐agar and 100 μg ml–1 in l‐broth. The growth rate of all isolates was determined by generating growth curves at 37 °C for 48 h. The isolates were found to differ in growth rates with lag phase varying from (4–6 h) in biocides supplemented media compared to 2–4 h in biocides free medium. They have wide temperatures (24–42 °C) and pH (5–9) ranges. Traditional ways of identification of bacteria by phenotypic characteristics were accomplished by phenotypic and biochemical characterization. Heavy metals and antimicrobial susceptibility tests indicated that all isolates examined were resistant to trimethoprim, chloramphenicol while sensitive to HgCl2 and Pb (NO3)2. Almost all isolates were opportunistic pathogens. The 16S rRNA‐encoding genes from these six isolates were sequenced to confirm the identity of these isolates. 5 different genera (Bacillus, Achromobacter, Pseudomonas and Klebsiella) of bacteria were identified by 16S rDNA genes amplified from genomic DNA of biocides resistant DUWL biofilm isolates. Analysis of 16S rDNA genes revealed a much more clear identification of microrganisms than culture methods. However, different species of the same genera can have the same 16S rRNA gene sequence but are different due to phenotypic differences or different clinical manifestations. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Trends of the thermal growing season in China, 1951–2007
Authors: Song Yanling , Linderholm Hans W. , Chen Deliang , Walther Alexander
Published: February 2009

Observed 20th century changes in the length of the growing season (GS) across the Northern Hemisphere have been linked to increasing temperatures, associated with global warming. Past studies of GS changes in China have largely been based on phenological observations and satellite data, and little attention has been paid to changes in starting and ending dates of GS. Here we examine changes in the thermal GS over China from 1951 to 2007 based on observed daily surface air temperature. Using five indices, trends of three GS parameters, start, end and length, were determined at 114 high‐quality stations over China. Our results show large spatial and temporal differences in the GS parameters in China, where the most prominent changes have occurred in northern China relative to southern China. On average, from 1951 to 2007 the GS has been extended by 2.3 days/decade in northern China where most of these changes is due to an earlier onset of the GS in spring (−1.7 days/decade). In southern China, there is an average increase of GS by 1.3 days/decade with 0.6 days/decade earlier onsets in spring. Furthermore, most stations showing significant trends of GS changes are located in northern China. An extended GS in northern China indicates improved agricultural conditions due to warmer and longer GS. However, this effect may be counteracted by changes in the precipitation pattern. Copyright © 2009 Royal Meteorological Society
Vibrational spectroscopy investigation using density functional theory on 7‐chloro‐3‐methyl‐2H‐1,2,4‐ benzothiadiazine 1,1‐dioxide
Authors: Seshadri S. , Gunasekaran S. , Muthu S.
Published: February 2009

The solid phase Fourier transform infrared (FTIR) and Fourier transform (FT) Raman spectral analysis of 7‐chloro‐3‐methyl‐2H‐1,2,4‐benzothiadiazine 1,1‐dioxide (diazoxide), an antihypertensive agent was carried out along with density functional computations. The optimized geometry, wavenumber and intensity of the vibrational bands of diazoxide were obtained by DFT‐B3LYP level of theory with complete relaxation in the potential energy surface using 6‐31G(d,p) basis set. A complete vibrational assignment aided by the theoretical harmonic frequency analysis has been proposed. The harmonic vibrational wavenumbers calculated have been compared with experimental FTIR and FT Raman spectra. The observed and the calculated wavenumbers are found to be in good agreement. The experimental spectra coincide satisfactorily with those of calculated spectra. Copyright © 2009 John Wiley & Sons, Ltd.
Investigation of the painting materials and techniques of the late‐15th century manuscript illuminator Jean Bourdichon
Authors: Trentelman Karen , Turner Nancy
Published: February 2009

Jean Bourdichon (1457–1521) was an important French painter and manuscript illuminator of the late 15th century. To examine the evolution of Bourdichon's palette and technique over the course of his career, eight illustrations from three manuscripts (of the form known as a book of hours) dating from the early 1480s to 1515 were studied using Raman microspectroscopy in conjunction with X‐ray fluorescence spectroscopy. Results reveal that Bourdichon routinely used complex pigment mixtures, employing over 12 pigments and colorants to achieve a variety of hues and subtle tonal effects. Moreover, Bourdichon's palette remained remarkably consistent throughout his career, with only subtle changes in his use of pigments. The pigments identified in Bourdichon's works in this study are typical of those found in 15th century manuscript illumination and include: vermilion, red lead, lead‐tin yellow (type I), iron earths, malachite, copper sulfate, ultramarine, azurite, lead white and carbon‐based black along with metallic gold and silver. Additionally, previously unknown as a manuscript pigment, bismuth black (granular elemental bismuth) was found in all of Bourdichon's works in this study. The discovery of bismuth black in Bourdichon's manuscript illuminations from a book of hours dating to the early 1480s may represent one of the earliest documented uses of this material as an artist's pigment. Copyright © 2009 John Wiley & Sons, Ltd.
Sample preparation and fractionation for proteome analysis and cancer biomarker discovery by mass spectrometry
Authors: Ahmed Farid E.
Published: February 2009

Sample preparation and fractionation technologies are one of the most crucial processes in proteomic analysis and biomarker discovery in solubilized samples. Chromatographic or electrophoretic proteomic technologies are also available for separation of cellular protein components. There are, however, considerable limitations in currently available proteomic technologies as none of them allows for the analysis of the entire proteome in a simple step because of the large number of peptides, and because of the wide concentration dynamic range of the proteome in clinical blood samples. The results of any undertaken experiment depend on the condition of the starting material. Therefore, proper experimental design and pertinent sample preparation is essential to obtain meaningful results, particularly in comparative clinical proteomics in which one is looking for minor differences between experimental (diseased) and control (nondiseased) samples. This review discusses problems associated with general and specialized strategies of sample preparation and fractionation, dealing with samples that are solution or suspension, in a frozen tissue state, or formalin‐preserved tissue archival samples, and illustrates how sample processing might influence detection with mass spectrometric techniques. Strategies that dramatically improve the potential for cancer biomarker discovery in minimally invasive, blood‐collected human samples are also presented.
Analysis of sulfonamides by capillary electrophoresis
Authors: Hoff Rodrigo , Kist Tarso B. L.
Published: February 2009

The methods of analysis of sulfonamides (SFAs) using CE are reviewed. Sulfonamides were the first antimicrobial group of drugs used in medical treatment. These compounds are still used today in medicine and widely are employed in veterinary medicine, also for their growth promoter effects. Improved methods of analysis of sulfonamides are a constant challenge for researchers. CE is a new trend in the fields of pharmaceutical and food analyses. Several methods for the determination of SFAs by CE have been published in recent years, and the present review considers applications in quality control of pharmaceutical dosage forms, food analysis, determinations in serum, and other biological fluids as well as in electrophoresis experiments which examine the behavior of this class of compounds for theoretical studies of the technique. This review covers studies ranging from the pioneering works on sulfonamide analyses using classical electrophoresis to the more recent CE methods coupled to tandem mass spectrometers. The sections are divided following the EC modes like CZE, MEKC, and hyphenated methods (CE‐MS, CE‐MS/MS). A brief compilation of theoretical findings of sulfonamides electrophoretic behavior is also included. Parameters such as recoveries, LOD and LOQ, among others, are examined, covering works published until August 2008. This review can contribute to further research aimed to improve the analysis of SFAs by CE.
Packing the Steiner trees of a graph
Authors: Petingi L. , Talafha M.
Published: February 2009

Let G = (V,E) be an undirected graph with a distinguished set of terminal vertices K ⊆ V, |K| ≥ 2. A K‐Steiner tree T of G is a tree containing the terminal vertex‐set K, where any vertex of degree one in T must belong to K. The Steiner Tree Packing problem (STPP for short) is the problem of finding the maximum number of edge‐disjoint K‐Steiner trees, tK(G), contained in G. Specifically we are interested in finding a lower bound on tK(G) with respect to the K‐edge‐connectivity, denoted as λK(G). In 2003, Kriesell conjectured that any graph G with terminal vertex‐set K has at least ⌊λK(G)/2⌋ edge‐disjoint K‐Steiner trees. In this article, we show that this conjecture can be answered affirmatively if the edges of G can be partitioned into K‐Steiner trees. This result yields bounds for the problem of packing K‐Steiner trees with certain intersection properties in a graph. In addition we show that for any graph G with terminal vertex‐set K, tK(G) ≥ ⌊λK(G)/2⌋ − |V − K|/2 − 1. © 2009 Wiley Periodicals, Inc. NETWORKS, 2009
Sufficient degree conditions for k‐edge‐connectedness of a graph
Authors: Bauer D. , Hakimi S.L. , Kahl N. , Schmeichel E.
Published: February 2009

One of Frank Boesch's best known papers is ‘The strongest monotone degree condition for n‐connectedness of a graph’ (Boesch, J Combinatorial Theory Ser B 16 (1974), 162–165.). In this article, we give a simple sufficient degree condition for a graph to be k‐edge‐connected, and also give the strongest monotone condition for a graph to be 2‐edge‐connected. © 2009 Wiley Periodicals, Inc. NETWORKS, 2009
On the roots of strongly connected reliability polynomials
Authors: Brown J. I. , Dilcher K.
Published: February 2009

The strongly connected reliability scRel(D, p) of a digraph D is the probability that the spanning subgraph of D consisting of the operational arcs is strongly connected, given that the vertices always operate, but each arc independently operates with probability p ∈ [0, 1]. We provide here some results on the location of the roots of strongly connected reliability polynomials that contrast sharply with what is known for all terminal reliability. We show that not only there can be negative real roots, but also roots of arbitrarily large modulus. In fact, the closure of the roots of strongly connected reliability polynomials contains all of the complex plane except, possibly, some subset of the unit disk centered at z = 1. © 2009 Wiley Periodicals, Inc. NETWORKS, 2009
Approximability of unsplittable shortest path routing problems
Authors: Bley Andreas
Published: February 2009

In this article, we discuss the relation of unsplittable shortest path routing (USPR) to other routing schemes and study the approximability of three USPR network planning problems. Given a digraphD= (V,A) and a setKof directed commodities, an USPR is a set of flow pathsP, (s,t) ∈K, such that there exists a metric λ = (λa) ∈Zwith respect to which eachPis the unique shortest (s,t)‐path. In the Min‐Con‐USPR problem, we seek an USPR that minimizes the maximum congestion over all arcs. We show that this problem is NP‐hard to approximate within a factor ofO(|V|1−ϵ), but polynomially approximable within min(|A|,|K|) in general and withinO(1) if the underlying graph is an undirected cycle or a bidirected ring. We also construct examples where the minimum congestion that can be obtained by USPR is a factor of Ω(|V|2) larger than that achievable by unsplittable flow routing or by shortest multipath routing, and a factor of Ω(|V|) larger than that achievable by unsplittable source‐invariant routing. In the CAP‐USPR problem, we seek a minimum cost installation of integer arc capacities that admit an USPR of the given commodities. We prove that this problem is NP‐hard to approximate within 2 − ϵ even in the undirected case, and we devise approximation algorithms for various special cases. The fixed charge network design problem FC‐USPR, where the task is to find a minimum cost subgraph ofDwhose fixed arc capacities admit an USPR of the commodities, is shown to be NPO‐complete. All three problems are of great practical interest in the planning of telecommunication networks that are based on shortest path routing protocols. Our results indicate that they are harder than the corresponding unsplittable flow or shortest multi‐path routing problems. © 2009 Wiley Periodicals, Inc. NETWORKS, 2009