bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of External and Internal Factors on Secondary Metabolites Accumulation in St. John’s Worth
Authors: Radušienė Jolita , Karpavičienė Birutė , Stanius Žydrūnas
Published: February 2013

Radušienė J., Karpavičienė B., Stanius Ž., 2012: Effect of external and internal factors on secondary metabolites accumulation in St. John’s worth [Vidinių ir išorinių faktorių įtaka antrinių metabolitų kaupimuisi paprastojoje jonažolėje]. - Bot. Lith., 18(2): 101-108.

The effect of modified external factors such as temperature and light intensity, and plant internal factors - phenological phase and their possible interaction was investigated on accumulation of bioactive secondary metabolites in Hypericum perforatum L. The plants were grown under different temperature and light intensity conditions in a greenhouse. The results suggested that accumulation of secondary metabolites highly depends on temperature and light intensity conditions and phenological cycle, though the influence of both variables differed for the particular compounds. Phenolic compound quantities changed greatly during plant development, and the highest levels were reached at flowering phase under both experiment conditions. Changes in naphthodianthrones content at higher temperature and light intensity followed the same increasing tendency as that for phenolic compounds. The significant decrease of temperature and light intensity were found to be crucial negative factors for accumulation of naphthodianthrones. The highest level of hyperforin was accumulated at vegetative phase that fall down during phenological development of plants under both experiment conditions.
Student Experiences in Creating and Launching a Student-Led Physical Therapy Pro Bono Clinic: A Qualitative Investigation
Authors: Black Jill D. , Palombaro Kerstin M. , Dole Robin L.
Published: February 2013

Background

The physical therapy profession has called for the provision of pro bono services. Little is known about the impact on students involved in sustainable pro bono leadership. One physical therapy program established a pro bono physical therapy clinic under the direct leadership of a board of students.

Objective

The purpose of this study was to describe the experiences of the inaugural members of the Chester Community Physical Therapy Clinic Student Board in creating and launching the student-led pro bono physical therapy clinic.

Methods

A purposive sample of the 18 members participated in semistructured interviews. Content analysis was conducted using a commercially available software program. Trustworthiness was enhanced with credibility, transferability, and confirmability.

Results

The emergent categories were: (1) leadership skill development, (2) competency in hands-on clinical and administrative skills, and (3) commitment to both the community and the clinic. Pride emerged as a strong and overarching theme throughout the experience.

Conclusions

The student-led pro bono clinic meets several Commission on Accreditation in Physical Therapy Education criteria in a sustainable manner and serves as a means for measuring and meeting program mission and goals. Participation in the program was a meaningful experience and developed ownership, leadership skills, and pride among the students. There are also possibilities for expanding aspects of the program so that all physical therapist students can benefit from pro bono service opportunities.
Histologic and Genetic Advances in Refining the Diagnosis of “Undifferentiated Pleomorphic Sarcoma”
Authors: Kelleher Fergal , Viterbo Antonella
Published: February 2013

Undifferentiated pleomorphic sarcoma (UPS) is an inclusive term used for sarcomas that defy formal sub-classification. The frequency with which this diagnosis is assigned has decreased in the last twenty years. This is because when implemented, careful histologic assessment, immunohistochemistry, and ultra-structural evaluation can often determine lineage of differentiation. Further attrition in the diagnostic frequency of UPS may arise by using array-comparative genomic hybridization. Gene expression arrays are also of potential use as they permit hierarchical gene clustering. Appraisal of the literature is difficult due to a historical perspective in which specific molecular diagnostic methods were previously unavailable. The American Joint Committee on Cancer (AJCC) classification has changed with different inclusion criteria. Taxonomy challenges also exist with the older term “malignant fibrous histiocytoma” being replaced by “UPS”. In 2010 an analysis of multiple sarcoma expression databases using a 170-gene predictor, re-classified most MFH and “not-otherwise-specified” (NOS) tumors as liposarcomas, leiomyosarcomas or fibrosarcomas. Interestingly, some of the classifier genes are potential molecular therapeutic targets including Insulin-like growth factor 1 (IGF-1), Peroxisome proliferator-activated receptor γ (PPARγ), Nerve growth factor β (NGF β) and Fibroblast growth factor receptor (FGFR).
Initial Parallel Arrangement of Extracellular Fibrils Holds a Key for Sheath Frame Construction by Leptothrix sp. Strain OUMS1
Authors: Ishihara Hiromichi , Suzuki Tomoko , Hashimoto Hideki , Kunoh Hitoshi , Takada Jun
Published: February 2013

Early stages of sheath formation by Leptothrix sp. strain OUMS1 and its derivative sheathless mutant grown in media with or without Fe were examined by light and electron microscopy. Results showed that the initial parallel arrangement of fibrils excreted from the cells holds a key for subsequent construction of the sheath frame and that aqueous-phase Fe interacts with excreted fibrils whether fibrils are parallel-arranged or simply-intermingled.
State of ICT-Business Alignment
Authors: Kufandirimbwa Owen , Hapanyengwi Gilford , Kabanda Gabriel
Published: February 2013

Considering the dynamic nature of ICT and its contribution to business growth and prospects which later translate to national development and prosperity, the aim of this research was threefold; study and examine ICT-business alignment cases in Zimbabwe, establish the current state of ICT-business alignment in the Zimbabwean business sector, and determine factors that have a propelling or frictional effect on alignment transition. The research results indicated that ICT and business executives in Zimbabwe appreciate that ICT contributes positively to business growth and sustainability of their organizations. However, the majority of these executives do not understand and apply the concept of IT-business alignment in their organizations. Another notable result was that to achieve alignment in a turbulent environment there are many factors that have a propelling or dragging effect on alignment. The factors have differing magnitude of effect on alignment as such a critical analysis of each factor is required.
A Context and Content Reflection on Business-IT Alignment Research
Authors: Parappallil John Joe , Zarvic Novica , Thomas Oliver
Published: February 2013

In this paper, the authors present the results of a recently performed literature analysis on the topic of Business-IT Alignment. They have thereby investigated 270 articles from the period 1993-2011 in a structured way. The articles were selected on the basis of three well-known ranking lists of publications in the Information Systems research domain. In the authors’ analysis they distinguish a context and a content point of view. The former one focuses on metadata analysis of the articles under consideration whereas the latter one uses text mining techniques to dive into the articles´ body of content. Finally, they discuss their results and present conceivable future research directions that should be tackled by alignment researchers and conclude their paper.
An Orientation Sensor for Mobile Robots Using Differentials
Authors: Lee Wei-Chen , Cai Cong-Wei
Published: February 2013

Without access to external guidance, such as landmarks or beacons, indoor mobile robots usually orientate themselves by using magnetic compasses or gyroscopes. However, compasses face interference from steel furniture, and gyroscopes suffer from zero drift errors. This paper proposes an orientation sensor that can be used on differentially driven mobile robots to resolve these issues. The sensor innovatively combines the general differentials and an optical encoder so that it can provide only the orientation information. Such a sensor has not been described in any known literature and is cost-efficient compared to the common method of using two encoders for differentially driven mobile robots. The kinematic analysis and the mechanical design of this sensor are presented in this paper. The maximum mean error of the proposed orientation sensor was about 0.7° during the component tests. The application of the sensor on a vacuum cleaning robot was also demonstrated. The use of the proposed sensor may provide less uncertain orientation data for an indoor differentially driven mobile robot.
Do Functionally Fit Elderly Community-Dwelling Subjects Have Enough Time to Safely Cross the Road?
Authors: Rugelj Darija , Tomšič Marija , Sevšek France
Published: February 2013

Elderly people are the most vulnerable group in urban traffic and a large proportion of them are as pedestrians victims of traffic accidents. The majority of these happen while crossing the road. Crossing a busy road at an intersection with traffic lights or without them is a typical dual task condition requiring a motor task i.e. walking and a cognitive task such as monitoring traffic. The purpose of present study was to compare the walking speed and the related spatio-temporal gait variables of fallers and non-fallers in three walking conditions against the speeds required by regulations in Slovenia for safe street crossing. To assess the spatio-temporal characteristics of gait we used a 7m instrumented walkway.The general results showed that the spatio-temporal gait parameters did not differ between the two groups at the self-selected speed. But as soon as a constraint, such as fast walking speed, was imposed on the subjects the differences between the groups became evident. Fallers demonstrated a significantly slower mean gait velocity and shorter stride length while the cadence and the base of support did not differ between the two groups. In dual task conditions the difference between the two groups reached 25 percent. The fallers group gait velocity dropped to 0.99 m/s. The observed walking speed was slower than considered by the guidelines for the design of traffic light equipped road crossing.In conclusion, the results of walking speed under dual task conditions could be a useful parameter for planning of optimal pedestrian crossing in urban areas. These results will serve for the design of a population based study in Ljubljana.
A New sp2‐sp2 Dialkylethylene‐Bridged Heptacyclic Ladder‐Type Arene for High Efficiency Polymer Solar Cells
Authors: Wu Jhong‐Sian , Lai Yu‐Ying , Cheng Yen‐Ju , Chang Chih‐Yu , Wang Chien‐Lung , Hsu Chain‐Shu
Published: February 2013

A new dithienobenzo‐carbazole (DTBC) heptacyclic arene using sp2‐sp2 dialkylethylene moiety as the bridge was successfully synthesized by Suzuki‐Miyaura cross‐coupling reaction. This facile benzoannulation planarizes the conjugated framework with the concomitant introduction of four octyl substituents, making the newly designed copolymer PDTBCDTBT exhibit solution processability, superior absorption ability, lower‐lying HOMO energy level, and crystalline nature. The solar cell using PDTBCDTBT has produced a high efficiency of 6.2%, which outperforms the corresponding sp3‐hybridized C‐bridged, Si‐bridged and N‐bridged analogous polymers.
Male Scarcity is Associated with Higher Prevalence of Premature Gestation and Low Birth Weight Births Across the United States
Authors: Kruger Daniel J. , Clark Jillian , Vanas Sarah
Published: February 2013

Objectives

Modern adverse birth outcomes may partially result from mechanisms evolved to evaluate environmental conditions and regulate maternal investment trade‐offs. Male scarcity in a population is associated with a cluster of characteristics related to higher mating effort and lower paternal investment. We predicted that modern populations with male scarcity would have shorter gestational times and lower birth weights on average.

Methods

We compared US Centers for Disease Control and Prevention county‐aggregated year 2000 birth records with US Decennial Census data. We combined these data in a path model with the degree of male scarcity and known socio‐economic predictors of birth outcomes as exogenous predictors of prematurity and low birth weight, with single mother households as a proportion of families with children as a mediator (N = 450).

Results

Male scarcity was directly associated with higher rates of low birth weight. Male scarcity made significant indirect predictions of rates of prematurity and low birth weight, as mediated by the proportion of families headed by single mothers. Aggregate socio‐economic status also indirectly predicted birth outcomes, as mediated by the proportion of families headed by single mothers, whereas the proportion African American retained both direct and indirect predictions of adverse birth outcomes.

Conclusions

Male scarcity influences life history tradeoffs, with consequences for important social and public health issues such as adverse birth outcomes. Am. J. Hum. Biol. 25:225–227, 2013. © 2013 Wiley Periodicals, Inc.
Association of Self‐Reported Familial History of Cardiometabolic Disease with Metabolic Syndrome in Apparently Healthy Urban Colombian Men
Authors: Suárez‐Ortegón Milton F. , Arbeláez Alejandra , Mosquera Mildrey , Méndez Fabian , Pradilla Alberto , Plata Cecilia Aguilar‐de
Published: February 2013

Objectives

Evidence about the relationship between familial history (FH) of cardiometabolic disease (CMD) and metabolic syndrome (MetS) in Latin American populations is scarce. The aim of this study was to evaluate the relationship of FH of CMD and of dyslipidemia and obesity with MetS in healthy men.

Methods

One‐hundred‐twenty one individuals were recruited. Waist circumference and blood pressure were measured by a trained researcher using standard techniques. Glycemia and lipid profile were determined by colorimetric assays. A survey to record personal data and family antecedents in siblings, aunts/uncles, parents, and grandparents was conducted by trained interviewers.

Results

Individuals having three or more familial antecedents were associated with high triglycerides level even after adjusting by age, sedentarism, fat and carbohydrates intake, and alcohol consumption. After adjusting for the same variables, FH of dyslipidemia and hypertension was also associated with high triglycerides levels and elevated waist circumference, respectively. The FH of stroke was associated with high blood pressure after adjusting for the rest of familial antecedents, and with MetS in all adjustment models.

Discussion

the findings of association of this study together with the previous reports are evidence of the importance of hereditary component as independent predictor of cardiovascular risk factors and its clustering, as well as of possible specific association patterns between FH of CMD and MetS depending on evaluated population in terms of ethnic groups and geographic region. Further studies are required in other populations, as well as exploration of genetic markers of CMD regarding to MetS. Am. J. Hum. Biol. 25:228–230, 2013. © 2013 Wiley Periodicals, Inc.
Inhibition of Connective Tissue Growth Factor Ameliorates Disease in a Murine Model of Rheumatoid Arthritis
Authors: Nozawa Kazuhisa , Fujishiro Maki , Kawasaki Mikiko , Yamaguchi Ayako , Ikeda Keigo , Morimoto Shinji , Iwabuchi Kazuhisa , Yanagida Mitsuaki , Ichinose Shouzo , Morioka Megumi , Ogawa Hideoki , Takamori Kenji , Takasaki Yoshinari , Sekigawa Iwao
Published: February 2013

Objective

We have shown that connective tissue growth factor (CTGF) plays an important role in the pathogenesis of rheumatoid arthritis (RA). This study was undertaken to evaluate the effects of blockade of the CTGF pathway on the development of collagen‐induced arthritis (CIA) in mice.

Methods

Arthritis was induced in DBA/1J mice by immunization with a combination of type II collagen (CII) and Freund's complete adjuvant. We evaluated the development of arthritis in mice with CIA left untreated versus treated with neutralizing anti‐CTGF monoclonal antibody (mAb).

Results

Inhibition of CTGF in mice treated with neutralizing anti‐CTGF mAb significantly ameliorated arthritis compared to the untreated mice with CIA. Serum levels of matrix metalloproteinase 3 were reduced by anti‐CTGF mAb treatment. Moreover, blockade of CTGF decreased interleukin‐17 expression on purified CD4+ T lymphocytes. Although the expression of the retinoic acid receptor–related orphan receptor γt gene was not suppressed by anti‐CTGF mAb treatment, that of interferon regulatory factor 4 (IRF‐4) and IκBζ (Nfkbiz), which are other important molecules for the differentiation of Th17 cells, was suppressed. In addition, blockade of CTGF inhibited pathologic proliferation of T lymphocytes in response to CII restimulation in vitro. Moreover, aberrant osteoclastogenesis in mice with CIA was restored by anti‐CTGF mAb treatment.

Conclusion

Our findings indicate that blockade of CTGF prevents the progression of arthritis in mice with CIA. Anti‐CTGF mAb treatment suppresses pathologic T cell function and restores aberrant osteoclastogenesis in mice with CIA. CTGF may become a new target for the treatment of RA.
Does the magnetic field of a magnetic stirrer in an optical aggregometer affect concurrent platelet aggregation?
Authors: Sagdilek Engin , Sebik Oguz , Celebi Gurbuz
Published: February 2013

Platelets are subjected to extremely low frequency electromagnetic fields during standard aggregometry measurements owing to the use of a magnetic stir bar in the instrument. This study evaluates the effects of this magnetic field exposure on platelet aggregation by comparing the results obtained in a modified aggregometer. Blood samples from healthy volunteers were anticoagulated using citrate or heparin. Platelet‐rich plasma (PRP) samples were prepared. A mechanical stirring device was attached to the aggregometer instead of the magnetic stir bar system. The PRP samples were stirred using a stirring rod tip that did not produce any magnetic fields in one channel of the aggregometer; in the other channel, a stirring rod carrying a small magnet at its tip was used. As a result, a magnetic field in the extremely low frequency range and in the amplitude range of 1.9–65 mT was applied to the platelets assigned to the channel where the magnetic stirring rod tip was used. Aggregation was induced using adenosine diphosphate (ADP), collagen, or epinephrine. The slopes, maximum aggregation values, and areas under the aggregation curves were compared between the magnetic and neutral stirring rod tip groups. For samples stirred with the magnetic stirring rod tip, a significant decrease was observed in 12 of the 14 parameters evaluated for aggregations induced with ADP or collagen compared to the neutral stirring rod tip, regardless of the method used for anticoagulation. This observation indicates that the magnetic stir bars used in standard aggregometry may significantly alter aggregation parameters and platelets may be possible targets of electromagnetic fields. Bioelectromagnetics 34:349–357, 2013. © 2012 Wiley Periodicals, Inc.
Transcatheter occlusion of a persistent left superior vena cava to the left atrium using the transseptal approach
Authors: Zampi Jeffrey D. , Sznycer‐Taub Nathaniel R. , Grifka Ronald G.
Published: February 2013

A persistent left superior vena cava (LSVC) is a common venous anomaly, occurring in up to 10% of patients with congenital heart defects. Usually, a LSVC drains into the coronary sinus, then to the right atrium. The LSVC can drain directly to the left atrium, resulting in a right‐to‐left shunt and systemic desaturation. Historically, surgery has been used to address this lesion. Transcatheter occlusion of the LSVC is an alternative to surgery. We report the novel use of the transseptal approach to access the LSVC, and device occlusion using the Amplatzer Vascular Plug‐II. © 2013 Wiley Periodicals, Inc.
Combined transcatheter device closure of ruptured sinus of valsalva and a post‐surgical residual ventricular septal defect
Authors: Mahimarangariah Jayaranganath , Kikkeri H Srinivasa , Rai K Maneesh , Nanjappa Manjunath Cholenhally
Published: February 2013

Sinus of Valsalva aneurysms are commonly associated with ventricular septal defects (VSDs). We describe a 14‐year‐old boy who presented with rupture of right sinus of Valsalva (RSOV) into the right ventricular outflow tract (through two openings) along with a residual VSD, four years after surgical closure of the VSD. Both antegrade and retrograde approaches were used to close the RSOV defects. The larger defect was closed from the venous side using an Amplatzer Duct Occluder (ADO‐I) device while the smaller defect was closed from the arterial end using and ADO‐II device. The residual VSD was also closed percutaneously using a ADO‐I device. Successful transcatheter closure of all defects was possible thereby preventing the morbidity and mortality associated with a repeat surgery. © 2013 Wiley Periodicals, Inc.
ChemInform Abstract: Na1.515EuGeS4, a Three‐Dimensional Crystalline Assembly of Empty Nanotubules Constructed with Europium(II/III) Mixed Valence Ions.
Authors: Choudhury Amitava , Grandjean Fernande , Long Gary J. , Dorhout Peter K.
Published: February 2013

The new title compound is synthesized by reaction of a stoichiometric mixture of Eu, Ge, S, and Na2S (sealed silica tube, 750 °C, 150 h; 5 °C/h cooling rate).
ChemInform Abstract: Complex Cation Order in Anion‐Deficient BanYFen‐1O2.5n Perovskite Phases.
Authors: Luo Kun , Hayward Michael A.
Published: February 2013

Title phases with n = 2, 3, and 4 are synthesized from stoichiometric amounts of BaCO3, Y2O3, and Fe2O3 (flowing Ar, 1425 °C, 80 h) and characterized by powder XRD, neutron powder diffraction, and magnetic measurements.
ChemInform Abstract: Synthesis, Crystal Structure, and Properties of a New Lead Aluminum Fluoride Borate, Pb6AlB2O7F7.
Authors: Dong Lingyun , Pan Shilie , Yang Zhihua , Zhao Wenwu , Dong Xiaoyu , Wang Ying , Huang Yineng
Published: February 2013

The title compound is synthesized by solid state reaction of a stoichiometric mixture of PbF2, Al2O3, and H3BO3 at 430 °C.
ChemInform Abstract: Synthesis, Crystal Structure and Antitumor Activities of the Dimeric Silicotungstate Containing Cobalt: Na5K7 [{β‐SiCo2W10O36(OH)2 (H2O)}2]·39.5H2O.
Authors: Tan Rongxin , Pang Xiaohong , Wang Hui , Cui Shuxin , Jiang Yaping , Wang Cheng , Wang Xiaohong , Song Wenzhi
Published: February 2013

Red block crystals of the title compound are prepared by slow evaporation of an aqueous solution containing Co(OAc)2, K8[γ‐SiW10O36], NaHCO3, and KCl (10 °C, 14 d; 47% yield).
ChemInform Abstract: Unexpected Direction in the Cyclization of α,α′‐Diaminated Cyclopentanone with Malonic Dialdehyde Tetramethyl Acetal.
Authors: Utkina A. A. , Kurkin A. V. , Yurovskaya M. A.
Published: February 2013

Reaction of α,α′‐diaminated cyclopentanone (I) with acetal (II) affords two new unexpected products (IV) and (V) along with the pyrazole (III).
ChemInform Abstract: Palladium‐Catalyzed Direct Arylation of N‐Heteroarenes with Arylsulfonyl Hydrazides.
Authors: Liu Bo , Li Jian , Song Feijie , You Jingsong
Published: February 2013

Arylsulfonyl hydrazides are established as readily available, air‐stable arylation reagents for Pd‐catalyzed direct C‐arylation of N‐heterocycles.
ChemInform Abstract: Tuning Efficiency of the 4‐exo‐Trig Cyclization by the Electronic Effects: Ring Closure of 3,3‐Difluoro‐4‐pentenyl Carbon Radicals and Synthesis of a gem‐Difluorocyclobutane Nucleoside.
Authors: Kumamoto Hiroki , et al. et al.
Published: February 2013

The potential antiviral agent (VII), available from cyclobutane (V), does not exhibit any activity in preliminary tests.
ChemInform Abstract: N‐Heterocyclic Carbene—Palladium(II)‐1‐methylimidazole Complex Catalyzed Amination Between Aryl Chlorides and Amides.
Authors: Chen Wen‐Xin , Shao Li‐Xiong
Published: February 2013

The method provides a mild and convenient approach to a wide range of aromatic amines.
ChemInform Abstract: Catalytic Mannich‐Type Reactions of α‐Aminoacetonitrile Using Fluorenylidene as a Protecting and Activating Group.
Authors: Yamashita Yasuhiro , Matsumoto Masatoshi , Chen Yi‐Jing , Kobayashi Shu
Published: February 2013

The highly stereoselective reaction tolerates a wide substrate scope.
ChemInform Abstract: Amberlyst‐15‐Catalyzed One‐Pot Synthesis of 2‐Aryltetrahydrofurans from Tetrahydrofuran.
Authors: Gunduz Hande , Kumbaraci Volkan , Talinli Naciye
Published: February 2013

Treatment of naphthols and phenols with THF affords the title compounds via rearrangement of initially formed tetrahydrofuranyl ethers which still remain in small amounts as by‐products.
ChemInform Abstract: Serendipitous Synthesis of 3‐Hydroxy Tetrahydrofurans from Tin‐Catalyzed Sulfonylation of Acyclic 1,2,4‐Triols.
Authors: Gamedze Makhosazana P. , Maseko Rejoice B. , Chigondo Fidelis , Nkambule Comfort M.
Published: February 2013

cis‐Triols (I) undergo base‐promoted, tin‐catalyzed reaction with tosyl chloride to form hydroxylactones (II) exclusively.
ChemInform Abstract: An Asymmetric Aerobic Aza‐Wacker‐Type Cyclization: Synthesis of Isoindolinones Bearing Tetrasubstituted Carbon Stereocenters.
Authors: Yang Guoqiang , Shen Chaoren , Zhang Wanbin
Published: February 2013

The use of a highly coordinating solvent is crucial for the activity of the Pd(II)/chiral pyridyloxazoline catalyst and the stereoselectivity of the reaction (up to 99%ee).
ChemInform Abstract: Sterically Demanding Imidazolinium Salts Through the Activation and Cyclization of Formamides.
Authors: Tsimerman Michael , Mallik Debasis , Matsuo Tsukasa , Otani Takashi , Tamao Kohei , Organ Michael G.
Published: February 2013

The synthesis of sterically demanding imidazolium salts (V) and (IX) via the formamide activation strategy facilitates cyclizations that are too challenging for the classical orthoformate ester cyclization protocol and thus allows the formation of more sterically hindered derivatives.
ChemInform Abstract: A Domino Protocol for the Efficient Synthesis of Structurally Diverse Benzothiazolylquinoline‐2,5‐diones and Their Spiro Analogues.
Authors: Arya Anand Kumar , Gupta Sunil Kumar , Kumar Mahendra
Published: February 2013

A simple one‐pot four‐component approach in the presence of sulfamic acid leads to the desired heterocyclic systems, required for medicinal research.
ChemInform Abstract: One‐Pot Five‐Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid‐Catalyzed Rearrangement.
Authors: Terzidis Michael A. , Zaraganes‐Tzitzikas Tryfon , Tsimenidis Constantinos , Stephanidou‐Stephanatou Julia , Tsoleridis Constantinos A. , Kostakis George E.
Published: February 2013

Treatment of 3‐cyanochromones with the isocyanides (II) and acetylenecarboxylates in a molar ratio of 1:3:3 to results in formation of novel spirocyclic chromenes of type (IV) or (VI)/ (VIII).
ChemInform Abstract: Synthesis and Antimicrobial Screening of 4H‐2‐Acetyl‐3‐amino‐furo[3,2‐c]benzopyran‐4‐one, Oxime of 4H‐2‐Acetyl‐3‐amino‐furo[3,2‐c]benzopyran‐4‐one, 11H‐2‐Chloromethyl‐4‐methyl‐pyrimido[3,2‐d]furo [3,2‐c]benzopyran‐11‐one‐3N‐oxide and 11H‐2‐[Methylene morpholine]‐4‐methyl‐pyrimido[3,2‐d]furo [3,2‐c]benzopyran‐11‐one‐3N‐oxide
Authors: Mulwad V. V. , Hedge A. S.
Published: February 2013

All new compounds (III), (IV), (VI), and (VIII) possess good antimicrobial and antifungal activities.
ChemInform Abstract: Synthesis of 3,4‐Dihydropyridin‐2‐one Derivatives in Convergent Mode Applying Biocatalyst Vitamin B1 and Polymer‐Supported Catalyst PEG—SO3H from Two Different Sets of Building Blocks.
Authors: Pradhan Koyel , Bhattacharyya Pranabes , Paul Sanjay , Das Asish R.
Published: February 2013

Both methods afford the pharmaceutically interesting title compounds (22 examples) with similar yields.
ChemInform Abstract: Synthesis of Aminovinyl Derivatives of Quinoline‐ and Isoquinoline‐5,8‐diones
Authors: Batenko N. , Popova O. , Belyakov S. , Valters R.
Published: February 2013

via reaction of chloroquinones with diethylamine and acetaldehyde
ChemInform Abstract: Organophosphorus Reagents in Organocatalysis: Synthesis of Optically Active α‐Methylene‐δ‐lactones and δ‐Lactams.
Authors: Albrecht Anna , Morana Fabio , Fraile Alberto , Joergensen Karl Anker
Published: February 2013

Different protocols for preparation of the title compounds are developed, based on the organocatalytic, enantioselective addition of phosphonoacetate (I) to aromatic enals as the key‐step.
ChemInform Abstract: Regioselective Syntheses of 2,7‐(Het)arylpyrido[2,3‐d]pyrimidines by an Orthogonal Cross‐Coupling Strategy.
Authors: Maingot Lucie , Dehbi Oussama , Buron Frederic , Aadil Mina , Akssira Mohamed , Routier Sylvain , Guillaumet Gerald
Published: February 2013

Two sequential cross‐coupling reactions of substrate (I) with arylboronic acids allow the approach to the desired target compounds.
ChemInform Abstract: Cation‐Exchange Resin as an Efficient Heterogeneous Catalyst for One‐Pot Three‐Component Synthesis of 2,3‐Dihydro‐4(1H)‐quinazolinones.
Authors: Wang M. , Zhang T. T. , Gao J. J. , Liang Y.
Published: February 2013

Various mono‐ and disubstituted 2,3‐dihydroquinazolinones (III) and (V) are efficiently synthesized by a one‐pot three‐component reaction of isatoic anhydride, aromatic aldehydes, and primary amines or ammonium salts.
ChemInform Abstract: Pyrrolo[2,3‐b]quinoxalines as Inhibitors of Firefly Luciferase: Their Cu‐Mediated Synthesis and Evaluation as False Positives in a Reporter Gene Assay.
Authors: Nakhi Ali , Rahman Md. Shafiqur , Kishore Ravada , Meda Chandana Lakshmi T. , Deora Girdhar Singh , Parsa Kishore V. L. , Pal Manojit
Published: February 2013

2‐Substituted pyrrolo[2,3‐b]quinoxalines (V) are prepared in a single reaction from 3‐alkynyl‐2‐chloroquinoxalines (III) using methanesulfonamide as ammonia surrogate.
ChemInform Abstract: Microwave‐Assisted Synthesis of Novel Imidazo[2,1‐b]thiazole Derivative Attached to Quinoxalinones.
Authors: Mukherjee Chandrani , Watanabe Kenneth T. , Biehl Edward R.
Published: February 2013

Various biologically important derivatives are prepared by reaction of α‐keto esters (I) with o‐phenylenediamines.
ChemInform Abstract: An Efficient One‐Pot Reaction for the Synthesis of Pyrazolones Bearing a Phenothiazine Unit.
Authors: Baciu‐Atudosie Lavinia , Ghinet Alina , Belei Dalila , Gautret Philippe , Rigo Benoit , Bicu Elena
Published: February 2013

The convenient procedure involves formation of hydrazines from substrates (I) followed by reaction with esters (II).
ChemInform Abstract: Synthesis of Protected Benzenepolyselenols.
Authors: Turner Dayna L. , Vaid Thomas P.
Published: February 2013

Unfortunately, the selenobenzene (X) cannot be converted into benzenehexa(selenoacetate).
ChemInform Abstract: Silica Biomorphs: Complex Biomimetic Hybrid Materials from “Sand and Chalk”
Authors: Kellermeier Matthias , Coelfen Helmut , Garcia‐Ruiz Juan Manuel
Published: February 2013

Review: 114 refs.
ChemInform Abstract: Copper‐Nickel Heterobimetallic Compounds
Authors: Cernak J. , Kocanova I. , Orendac M.
Published: February 2013

Review: 135 refs.
ChemInform Abstract: When the Nine‐Membered Enediynes Play Hide and Seek
Authors: Jean Mickael , Tomasi Sophie , van de Weghe Pierre
Published: February 2013

Review: strategy to develop masked enediyne analogues; 36 refs.
ChemInform Abstract: Functionalized 1,4‐Benzothiazine: A Versatile Scaffold with Diverse Biological Properties
Authors: Ajani Olayinka Oyewale
Published: February 2013

Review: 107 refs.
ChemInform Abstract: Ruthenium(II)‐Catalyzed C‐H Bond Activation and Functionalization
Authors: Arockiam Percia Beatrice , Bruneau Christian , Dixneuf Pierre H.
Published: February 2013

Review: 259 refs.
ChemInform Abstract: The Role of Symmetry in Asymmetric Catalysis
Authors: Moberg Christina
Published: February 2013

Review: 64 refs.
ChemInform Abstract: The Complementary Competitors: Palladium and Copper in C—N Cross‐Coupling Reactions
Authors: Beletskaya Irina P. , Cheprakov Andrei V.
Published: February 2013

Review: 671 refs.
ChemInform Abstract: Innovative Applications of Spray Drying
Authors: Freitas Luis A. P. , Andrade Toni C. , Teixeira Cristiane C. C. , Tacon Luciana A. , Tsukada Mario
Published: February 2013

Review: 55 refs.
ChemInform Abstract: New Types of Descriptors and Models in QSAR/QSPR
Authors: Kramer Christian , Clark Timothy
Published: February 2013

Review: 59 refs.
ChemInform Abstract: Quantitative Analysis of Binding Properties
Authors: Hirose Keiji
Published: February 2013

Review: 38 refs.
Absolute Bioavailability and Effect of Food on the Disposition of Safinamide Immediate Release Tablets in Healthy Adult Subjects
Authors: Seithel‐Keuth Annick , Johne Andreas , Freisleben Achim , Kupas Katrin , Lissy Michael , Krösser Sonja
Published: February 2013

The objectives of this study were to establish the basic intravenous (IV) single‐dose PK of safinamide and its major human metabolites, the absolute bioavailability (BA) and food effect on safinamide tablets. Fourteen healthy adult male and female subjects received 50 mg safinamide single‐dose treatments according to a randomized, 3‐period, 2‐sequence crossover design: immediate release (IR) tablets, administered after an overnight fast and after a standardized high‐fat, high‐calorie breakfast, and IV solution, administered over 30 minutes. Treatments were separated by wash‐out intervals of at least 17 days. Serial blood samples were collected for 240 hours postdosing to evaluate safinamide parent drug and metabolite concentrations for the determination of PK parameters. The absolute BA of safinamide 50 mg IR tablets was high, with geoMean AUC0–∞ ratios of about 95% (90% CI: 90–99%) indicating that safinamide is virtually completely absorbed after oral administration. Safinamide IR tablets did not display a food effect on exposure parameters; both 90% CIs for the ratios fed/fasted of AUC0–∞ and Cmax were entirely within the bioequivalence acceptance margins of 80–125%. Only tmax was delayed by about 30% in the fed state. Oral and IV safinamide 50 mg single‐dose administrations were generally well tolerated.
Antidepressant‐Like Activity of Agomelatine in the Mouse Unpredictable Chronic Mild Stress Model
Authors: Mutlu Oguz , Gumuslu Esen , Ulak Guner , Celikyurt Ipek Komsuoglu , Akar Furuzan , Bektas Emine , Demirtas Tugce , Kır Hale Maral , Musul Mahmut Mert , Erden Faruk
Published: February 2013

Preclinical Research

The present study was undertaken to investigate whether chronic agomelatine treatment which acts as an agonist of melatonergic MT1 and MT2 receptors would block unpredictable chronic mild stress (UCMS)‐induced depression‐like behavior in mice as compared with fluoxetine and melatonin. Male inbred BALB/c mice were treated with agomelatine (10 mg/kg i.p.), melatonin (10 mg/kg ip), fluoxetine (15 mg/kg ip), or vehicle for 5 weeks. All compounds tested blocked the stress‐induced deficit in coat state during the UCMS procedure, increased total latency of grooming in the splash test, decreased attack frequency in the resident/intruder test, and reduced immobility time in the tail suspension and forced swimming tests. All compounds also reduced the levels of plasma adrenocorticotropic hormone, interleukin 6, and tumor necrosis factor‐alpha in stressed mice. The results of this study indicate that agomelatine, which has a novel mode of action, can be as effective as fluoxetine for the treatment of depression.
A GLOBAL MODEL OF INTERNATIONAL YIELD CURVES: NO‐ARBITRAGE TERM STRUCTURE APPROACH
Authors: Kaminska Iryna , Meldrum Andrew , Smith James
Published: February 2013

This paper extends a popular no‐arbitrage affine term structure model to jointly model bond markets and exchange rates across the UK, USA and euro area. Using a monthly data set of forward rates from 1992, we first demonstrate that two global factors account for a significant proportion in the variation of bond yields across countries. We also show that, for an explanation of country‐specific movements in yield curves, local factors are required. Although we implement a very general factor structure, we find that our global factors are related to global inflation and global economic activity, whereas local factors are closely linked to monetary policy rates. In this respect, our results are similar to previous work. But an important advantage of our joint international model is that we are able to decompose interest rates into risk‐free rates and risk premia. Additionally, we are able to study the implications for exchange rates. We show that whereas differences in risk‐free rates matter, to a large extent, changes in the exchange rate are determined by time‐varying exchange rate risk premia. Copyright © 2013 John Wiley & Sons, Ltd.
Cell response of anodized nanotubes on titanium and titanium alloys
Authors: Minagar Sepideh , Wang James , Berndt Christopher C. , Ivanova Elena P. , Wen Cuie
Published: February 2013

Titanium and titanium alloy implants that have been demonstrated to be more biocompatible than other metallic implant materials, such as Co–Cr alloys and stainless steels, must also be accepted by bone cells, bonding with and growing on them to prevent loosening. Highly ordered nanoporous arrays of titanium dioxide that form on titanium surface by anodic oxidation are receiving increasing research interest due to their effectiveness in promoting osseointegration. The response of bone cells to implant materials depends on the topography, physicochemistry, mechanics, and electronics of the implant surface and this influences cell behavior, such as adhesion, proliferation, shape, migration, survival, and differentiation; for example the existing anions on the surface of a titanium implant make it negative and this affects the interaction with negative fibronectin (FN). Although optimal nanosize of reproducible titania nanotubes has not been reported due to different protocols used in studies, cell response was more sensitive to titania nanotubes with nanometer diameter and interspace. By annealing, amorphous TiO2 nanotubes change to a crystalline form and become more hydrophilic, resulting in an encouraging effect on cell behavior. The crystalline size and thickness of the bone‐like apatite that forms on the titania nanotubes after implantation are also affected by the diameter and shape. This review describes how changes in nanotube morphologies, such as the tube diameter, the thickness of the nanotube layer, and the crystalline structure, influence the response of cells. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 101A: 2726–2739, 2013.
Characteristics of highly cross‐linked polyethylene wear debrisin vivo
Authors: Baxter Ryan M. , MacDonald Daniel W. , Kurtz Steven M. , Steinbeck Marla J.
Published: February 2013

Despite the widespread implementation of highly cross‐linked polyethylene (HXLPE) liners to reduce the clinical incidence of osteolysis, it is not known if the improved wear resistance will outweigh the inflammatory potential of HXLPE wear debris generatedin vivo. Thus, we asked: What are the differences in size, shape, number, and biological activity of polyethylene wear particles obtained from primary total hip arthroplasty revision surgery of conventional polyethylene (CPE) versus remelted or annealed HXLPE liners? Pseudocapsular tissue samples were collected from revision surgery of CPE and HXLPE (annealed and remelted) liners, and digested using nitric acid. The isolated polyethylene wear particles were evaluated using scanning electron microscopy. Tissues from both HXLPE cohorts contained an increased percentage of submicron particles compared to the CPE cohort. However, the total number of particles was lower for both HXLPE cohorts, as a result there was no significant difference in the volume fraction distribution and specific biological activity (SBA; the relative biological activity per unit volume) between cohorts. In contrast, based on the decreased size and number of HXLPE wear debris there was a significant decrease in total particle volume (mm3/g of tissue). Accordingly, when the SBA was normalized by total particle volume (mm3/gm tissue) or by component wear volume rate (mm3/year), functional biological activity of the HXLPE wear debris was significantly decreased compared to the CPE cohort. Indications for this study are that the osteolytic potential of wear debris generated by HXLPE linersin vivois significantly reduced by improvements in polyethylene wear resistance. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 101B: 467–475, 2013.
Pseudosymmetry analysis of molecular orbitals
Authors: Casanova David , Alemany Pere , Falceto Andrés , Carreras Abel , Alvarez Santiago
Published: February 2013

We introduce a pseudosymmetry analysis of molecular orbitals by means of the newly proposed irreducible representation measures. To do that we define first what we consider as molecular pseudosymmetry and the relationships of this concept with those of approximate symmetry and quasisymmetry. We develop a general algorithm to quantify the pseudosymmetry content of a given object within the framework of the finite group algebra. The obtained mathematical expressions are able to decompose molecular orbitals by means of the irreducible representations of any reference symmetry point group. The implementation and usefulness of the pseudosymmetry analysis of molecular orbitals is demonstrated in the study of σ and π orbitals in planar and nonplanar polycyclic aromatic hydrocarbons and the t2g and eg character of the d‐orbitals in the [FeH6]3− anion in its high spin state along the Bailar twist pathway. © 2013 Wiley Periodicals, Inc.
Kinetic Study of Hydrogen–Deuterium Exchange of Glutamic Acid in Deuterated Hydrochloric Acid Solution
Authors: She Anqi , Gang Hongze , Yang Shizhong , Mu Bozhong
Published: February 2013

The kinetics of the hydrogen–deuterium (H–D) exchange at both the methine (alpha) and methylene (gamma) positions of glutamic acid in deuterated hydrochloric acid solution has been studied in the temperature range of 383–433 K by 1H NMR detection. The reaction rates of H–D exchange at the two positions were described by applying multivariable linear regression (MLR) analysis and are determined as v = k[Glu]3.3[D3O+]1.5 mol L−1 h−1 with k = 3.52 × 1016 × exp (–1.37 × 105/RT) mol−3.8 L h−1 for the alpha position as well as v = k[Glu]1.0[D3O+]0.45 mol L−1 h−1 with k = 1.77 × 1012 × exp (–0.99 × 105/RT) mol−0.45 L h−1 for the gamma position. The Arrhenius activation energy (Ea) at the gamma position is less than that at the alpha position, which implies that the deuteration reaction at the gamma position proceeded more easily.
Influence of Cu(II) Ions on the Mechanism of the Ring Transformation of S‐(2‐Oxotetrahydrofuran‐3‐yl)‐N‐(4‐methoxyphenyl)isothiouronium Bromide
Authors: Váňa Jiří , Sedlák Miloš , Hanusek Jiří
Published: February 2013

The effect of additional Cu(II) ions on the rate of transformation of S‐(2‐oxotetrahydrofuran‐3‐yl)‐N‐(4‐methoxyphenyl)isothiouronium bromide (1) into 5‐(2‐hydroxyethyl)‐2‐[(4‐methoxyphenyl)imino]‐1,3‐thiazolidin‐4‐one (2) has been studied in aqueous buffer solutions. The reaction acceleration in acetate buffers is caused by the formation of a relatively weakly bonded complex (Kc = 600 L·mol−1) of substrate with copper(II) acetate in which the Cu(II) ion acts as a Lewis acid coordinating the carbonyl oxygen and facilitating the intramolecular attack, leading to the formation of intermediate T±. The formation of the complex of copper(II) acetate with free isothiourea in the fast preequilibrium (Kc) is followed by the rate‐limiting transformation (kCu) of this complex. At the high concentrations of the acetate anions, the reaction is retarded by the competitive reaction of these ions with copper(II) acetate to give an unreactive complex [Cu(OAc)4]2−. The influence of Cu(II) ions on the stability of reaction intermediates and the leaving group ability of the alkoxide‐leaving group compared to the Cu(II)‐uncatalyzed reaction is also discussed.
An ensemble based turbulence forecasting system
Authors: Gill Philip G. , Buchanan Piers
Published: February 2013

Turbulence is a major source of weather‐related aviation incidents. There are many different indicators used to try and predict where turbulence is likely to occur. The indicators are derived from deterministic models although they are often quoted as probabilities. This paper proposes the use of ensemble forecasts from the Met Office Global and Regional Ensemble Prediction System (MOGREPS) to produce a probabilistic indicator of wind shear and convectively induced moderate or greater turbulence. An objective verification scheme using high‐resolution automated aircraft observations from the Global Aircraft Data Set is used to compare the skill with the routinely available World Area Forecast Centre gridded turbulence forecasts. The forecasts are assessed globally over a 12 month period from November 2010 to October 2011 looking at the skill, reliability and economic value of the forecasts.
The price of anarchy in nonatomic consumption‐relevance congestion games
Authors: Kliemann Lasse
Published: February 2013

We present an extension to nonatomic congestion games (NCG). An NCG models a large number of players depending on a set of resources (e.g., network links) in certain combinations (e.g., paths or multicast trees) called strategies. The rate of consumption ZeS specifies how aggressively resource e is consumed when used via strategy S, but it also effects how strongly the resource's latency is experienced by the players. Our extension allows essentially unrelated factors CeS and ReS instead of ZeS. Factor CeS is the actual rate of consumption, whereas ReS expresses the amplification of the resource latency of e for players choosing strategy S, or, in other words, the relevance of resource e for strategy S. We call the extended model nonatomic consumption‐relevance congestion games (NCRCG). NCRCGs exhibit new phenomena, including multiple Nash equilibria of different social cost and—even from a worst‐case point of view—a dependence of the price of anarchy on structural parameters not limited to the class of resource latency functions used. We prove almost tight lower, upper, and bicriteria bounds for the price of anarchy for polynomial latency functions with nonnegative coefficients. We conjecture that the lower bound is the best possible. © 2013 Wiley Periodicals, Inc. NETWORKS, 2013
Efficient algorithms for a simple network design problem
Authors: Nakano Shin‐ichi , Uehara Ryuhei , Uno Takeaki
Published: February 2013

We consider the following simple network design problem. The input consists of n weighted nodes, and the output is an edge‐weighted connected network such that the total weight of the edges incident to a node is at least the given weight of the node. We aim to design the cheapest connected network; that is, the reachability of the network should be guaranteed, and the network is better if its total weight is less. In this article, we first show an efficient algorithm that produces an optimal network with minimum weight. The algorithm runs in linear time, and the resulting network contains at most n edges, where n is the number of nodes. To construct a connected network, at least n ‐ 1 edges are required. However, the algorithm sometimes outputs n edges. Next, we aim to minimize not only the weight but also the number of edges. That is, for given n weighted nodes, we aim to design a cheapest tree. Then, the problem becomes
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‐complete. We also propose efficient approximation algorithms for constructing a cheapest tree. © 2013 Wiley Periodicals, Inc. NETWORKS, 2013