bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Synthesis of 2‐Thio‐Substituted Benzothiazoles via a Domino Condensation/S‐Arylation/Heterocyclization Process.
Authors: Shi Liu , Liu Xiangqian , Zhang Hui , Jiang Yongwen , Ma Dawei
Published: August 2011

It provides a facile method to prepare a wide range of 2‐thio‐substituted benzothiazoles.
ChemInform Abstract: Halogenation Reagents Initiating Ring Opening of Vinylidenecyclopropanes: Easy Access to Halogenated Tetrahydropyrans.
Authors: Yuan Wei , Shi Min
Published: August 2011

Halogenation reagents initiate intramolecular ring‐opening reactions of diarylvinylidenecyclopropanes tethered to an alcohol‐bearing chain, to afford a variety of halogenated tetrahydropyrans in moderate to good yields under mild conditions.
ChemInform Abstract: Ph3PAuNTf2 as a Superior Catalyst for the Selective Synthesis of 2H‐Chromenes: Application to the Concise Synthesis of Benzopyran Natural Products.
Authors: Lykakis Ioannis N. , Efe Christina , Gryparis Charis , Stratakis Manolis
Published: August 2011

Cycloisomerization of aryl propargyl ethers efficiently proceeds, in the presence of [Au(PPh3)]NTf2 as catalyst to give benzopyrans, e.g. (III) in high chemoselectivity.
ChemInform Abstract: A Novel Sulfonic Acid Functionalized Ionic Liquid Catalyzed Multicomponent Synthesis of 10,11‐Dihydrochromeno[4,3‐b]chromene‐6,8(7H,9H)‐dione Derivatives in Water.
Authors: Chen Zhiwei , Zhu Qiang , Su Weike
Published: August 2011

Advantages of the process are simple reaction conditions and reusability of the ionic liquid.
ChemInform Abstract: Lewis Base Catalyzed [4 + 2] Annulation of Electron‐Deficient Chromone‐Derived Heterodienes and Acetylenes.
Authors: Dueckert Heiko , Khedkar Vivek , Waldmann Herbert , Kumar Kamal
Published: August 2011

Electron‐deficient chromone heterodienes and electron‐poor acetylenes undergo Lewis base catalyzed [4+2] annulation reactions.
ChemInform Abstract: Organocatalytic Enantioselective Multicomponent Cascade Reaction: Facile Access to Tetrahydropyridines with C3 All‐Carbon Quaternary Stereocenters.
Authors: Yu De‐Feng , Wang Yao , Xu Peng‐Fei
Published: August 2011

In the course of the reaction, three C—C bonds, two C—N bonds, and an all‐carbon quaternary stereocenter are formed.
ChemInform Abstract: β‐Lactam‐Synthon‐Interceded, Facile, One‐Pot, Diastereoselective Synthesis of Functionalized Tetra/Octahydroisoquinolone Derivatives.
Authors: Raj Raghu , Mehra Vishu , Singh Pardeep , Kumar Vipan , Bhargava Gaurav , Mahajan Mohinder P. , Handa Sachin , Slaughter LeGrande M.
Published: August 2011

β‐Lactams (I) bearing an ester group at the 3‐position are transformed in a single step into the desired octahydroquinolones (II) by treatment with MeONa in refluxing xylene.
ChemInform Abstract: Bifunctional Primary Amine‐Thiourea—TfOH (BPAT·TfOH) as a Chiral Phase‐Transfer Catalyst: The Asymmetric Synthesis of Dihydropyrimidines.
Authors: Wang Yangyun , Yu Jipan , Miao Zhiwei , Chen Ruyu
Published: August 2011

Asymmetric Biginelli reaction of β‐ketoester (I) with urea (II) and a range of aromatic aldehydes (III) is efficiently catalyzed by a catalyst system consisting of bifunctional glucose‐derived amine—thiourea (BPAT), tBuNH2·TFA and triflic acid.
ChemInform Abstract: Diversity Oriented Synthesis: Substitution at C5 in Unreactive Pyrimidines by Claisen Rearrangement and Reactivity in Nucleophilic Substitution at C2 and C4 in Pteridines and Pyrido[2,3‐d]pyrimidines.
Authors: Adcock Jonathan , Gibson Colin L. , Huggan Judith K. , Suckling Colin J.
Published: August 2011

A number of diversified pyridopyrimidines and pteridines are prepared and their biological activity is screened.
ChemInform Abstract: Synthesis of N‐Aryl‐2,2,2‐trifluoroacetimidoyl Piperazinylquinolone Derivatives and Their Antibacterial Evaluations.
Authors: Darehkordi Ali , Javanmiri Mahmood , Ghazi Somayeh , Assar Shokrollah
Published: August 2011

Piperazinylquinolone derivatives (IIIa) and (IIIb) possess good antibacterial activities against E.
ChemInform Abstract: Thiourea‐Catalyzed Organocatalytic Enantioselective Michael Addition of Diphenyl Phosphite to Nitroalkenes.
Authors: Alcaine Ana , Marques‐Lopez Eugenia , Merino Pedro , Tejero Tomas , Herrera Raquel P.
Published: August 2011

A variety of enantioenriched β‐nitrophosphonates (III) is readily obtained by asymmetric Michael addition of diphenylphosphite (II) to nitroolefins (I) in the presence of a bifunctional amine—thiourea organocatalyst.
ChemInform Abstract: Gardenoins E—H, Cycloartane Triterpenes from the Apical Buds of Gardenia obtusifolia.
Authors: Nuanyai Thanesuan , Sappapan Ruengrit , Vilaivan Tirayut , Pudhom Khanitha
Published: August 2011

Four new cycloartane triterpenes, named gardenoins E—H (I)—(III), are isolated from the apical buds of the title plant together with five known cycloartanes.
ChemInform Abstract: A New Diterpenoid Glucoside and Two New Diterpenoids from the Fruit of Vitex agnus‐castus.
Authors: Ono Masateru , et al. et al.
Published: August 2011

A new labdane‐type diterpenoid glycoside (I) and two new labdane‐type diterpenoids (II) and (III) are isolated from the Monk′s Pepper fruit (chasteberry) along with 14 known di‐, tri‐ and sesquiterpenoids and one flavanoid.
ChemInform Abstract: Synthesis and Biological Evaluation of 16E‐Arylidenosteroids as Cytotoxic and Antiaromatase Agents.
Authors: Bansal Ranju , Guleria Sheetal , Thota Sridhar , Hartmann Rolf Wolfgang , Zimmer Christina
Published: August 2011

Several new (16E)‐arylidenosteroidal derivatives are prepared and evaluated for their cytotoxic and aromatase inhibitory activity.
ChemInform Abstract: The Structure of a New Cardenolide Diglycoside and the Biological Activities of Eleven Cardenolide Diglycosides from Nerium oleander.
Authors: Zhao Ming , et al. et al.
Published: August 2011

Compound (I) is isolated as new cardenolide diglycoside from Nerium oleander together with ten known structurally related diglycosides.
ChemInform Abstract: “Inosaminoacids”: Novel Inositol—Amino Acid Hybrid Structures Accessed by Microbial Arene Oxidation.
Authors: Pilgrim Sarah , Kociok‐Koehn Gabriele , Lloyd Matthew D. , Lewis Simon E.
Published: August 2011

A concise synthetic route to a novel class of azacarbasugars, such as (VIII), (X) and (XI) is described.
ChemInform Abstract: Gold‐Catalyzed Reactions of 2‐C‐Branched Carbohydrates: Mild Glycosidations and Selective Anomerizations.
Authors: Vidadala Srinivasa Rao , Pimpalpalle Tukaram M. , Linker Torsten , Hotha Srinivas
Published: August 2011

Under catalysis of AuBr3, β‐glycosides (I) and (VIII) undergo anomerization to give their α‐anomers.
ChemInform Abstract: Rational Design of a Tn Antigen Mimic.
Authors: Corzana Francisco , et al. et al.
Published: August 2011

A novel Tn antigen mimic, in which the natural underlying amino acid is replaced by the non‐natural α‐methylserine analogue, is reported.
ChemInform Abstract: Noteworthy Observations Accompanying Synthesis of the Apoptolidin Disaccharide.
Authors: Srinivasarao Madduri , Park Taesik , Chen Yuzhong , Fuchs Philip L.
Published: August 2011

The disaccharide moiety (X) of apoptolidin is prepared using Hanessian—Hullar reaction of benzylidene (II), debromination of bromide (III), glycosylation of chloroacetimidate (VI) with olivomycose derivative (VII), and fluorination of alcohol (IX) as key steps.
ChemInform Abstract: Further Optimization of Detritylation in Solid‐Phase Oligodeoxyribonucleotide Synthesis.
Authors: Tram Kha , Sanghvi Yogesh S. , Yan Hongbin
Published: August 2011

Optimized reaction conditions for the removal of dimethoxytrityl, pixyl, and dimethylpixyl protecting groups in compounds (I) are elaborated.
ChemInform Abstract: First Efficient Uncharged Reactivators for the Dephosphylation of Poisoned Human Acetylcholinesterase.
Authors: Mercey Guillaume , Verdelet Tristan , Saint‐Andre Geraldine , Gillon Emilie , Wagner Alain , Baati Rachid , Jean Ludovic , Nachon Florian , Renard Pierre‐Yves
Published: August 2011

The title compounds (I) are extremely promising uncharged reactivators for poisoned human AChE with a superior or similar in vitro ability to reactivate the enzyme as that of HI‐6, obidoxime, TMB‐4 and HL‐7.
ChemInform Abstract: Nonlinear Optical Zeolite Films for Second and Third Harmonic Generation
Authors: Kim Hyun Sung , Pham Tung Thanh , Yoon Kyung Byung
Published: August 2011

Review: ≈60 refs.
ChemInform Abstract: Overview on Wetting and Joining in Transition Metals Diborides
Authors: Muolo M. L. , Valenza F. , Sobczak N. , Passerone A.
Published: August 2011

Review: 54 refs.
ChemInform Abstract: In Situ Optical Studies of Solid‐Oxide Fuel Cells
Authors: Pomfret Michael B. , Owrutsky Jeffrey C. , Walker Robert A.
Published: August 2011

Review: 143 refs.
ChemInform Abstract: Synthesis and Application of Chiral Hydrobenzoin
Authors: Okano Kazuya
Published: August 2011

Review: 153 refs.
ChemInform Abstract: Ten Key Issues in Modern Flow Chemistry.
Authors: Wegner Jens , Ceylan Sascha , Kirschning Andreas
Published: August 2011

Review: 82 refs.
ChemInform Abstract: Green Oxidation of Furans — Initiated by Molecular Oxygen — that Give Key Natural Product Motifs.
Authors: Montagnon Tamsyn , Noutsias Dimitris , Alexopoulou Ioanna , Tofi Maria , Vassilikogiannakis Georgios
Published: August 2011

Review: 77 refs.
ChemInform Abstract: Silver‐Free Gold(I) Catalysts for Organic Transformations
Authors: Schmidbaur Hubert , Schier Annette
Published: August 2011

Review: 163 refs.
ChemInform Abstract: Organic Radical Battery Approaching Practical Use
Authors: Nakahara Kentaro , Oyaizu Kenichi , Nishide Hiroyuki
Published: August 2011

Review: nitroxyl radical polymer as the cathode active material; 45 refs.
ChemInform Abstract: Transition‐Metal‐Catalyzed Carboxylation of C—H Bonds
Authors: Ackermann Lutz
Published: August 2011

Review: 23 refs.
ChemInform Abstract: Role of Siloxides in Transition Metal Chemistry and Homogeneous Catalysis
Authors: Krempner Clemens
Published: August 2011

Review: ca. 100 refs.
ChemInform Abstract: Anticonvulsant Neuropeptides as Drug Leads for Neurological Diseases
Authors: Robertson Charles R. , Flynn Sean P. , White H. Steve , Bulaj Grzegorz
Published: August 2011

Review: 296 refs.
ChemInform Abstract: Asymmetric Addition of Diorganozinc Reagents to Aldehydes and Ketones
Authors: Binder Caitlin M. , Singaram Bakhthan
Published: August 2011

Review: 233 refs.
ChemInform Abstract: Homogeneous Catalysis Using Iron Complexes: Recent Developments in Selective Reductions
Authors: Junge Kathrin , Schroeder Kristin , Beller Matthias
Published: August 2011

Review: 57 refs.
ChemInform Abstract: Menthone and p‐Menthyl‐3‐carboxaldehyde as Chiral Auxiliaries
Authors: Spino Claude
Published: August 2011

Review: 70 refs.
ChemInform Abstract: Gold‐Mediated C—H Bond Functionalization
Authors: Boorman Tanya C. , Larrosa Igor
Published: August 2011

Review: 67 refs.
ChemInform Abstract: Luminescent Silica Nanoparticles: Extending the Frontiers of Brightness
Authors: Bonacchi Sara , Genovese Damiano , Juris Riccardo , Montalti Marco , Prodi Luca , Rampazzo Enrico , Zaccheroni Nelsi
Published: August 2011

Review: syntheses and photochemical properties of dye‐doped silica nanoparticles, systems with high brihtness for applications as luminescent or electroluminescent labels and chemosensors; 72 refs.
ChemInform Abstract: Anion Binding and Transport by Prodigiosin and Its Analogues
Authors: Davis Jeffery T.
Published: August 2011

Review: 71 refs.
ChemInform Abstract: Chemical Sensors that Incorporate Click‐Derived Triazoles
Authors: Lau Yu Heng , Rutledge Peter J. , Watkinson Michael , Todd Matthew H.
Published: August 2011

Review: 140 refs.
ChemInform Abstract: Functional Biointerface Materials Inspired from Nature
Authors: Sun Taolei , Qing Guangyan , Su Baolian , Jiang Lei
Published: August 2011

Review: 90 refs.
ChemInform Abstract: Organic Host Materials for Phosphorescent Organic Light‐Emitting Diodes
Authors: Tao Youtian , Yang Chuluo , Qin Jingui
Published: August 2011

Review: 152 refs.
ChemInform Abstract: Amide‐ and Urea‐Functionalized Pyrroles and Benzopyrroles as Synthetic, Neutral Anion Receptors
Authors: Dydio Pawel , Lichosyt Dawid , Jurczak Janusz
Published: August 2011

Review: 57 refs.
ChemInform Abstract: Analysis of Protein Glycosylation and Phosphorylation Using HILIC—MS
Authors: Thaysen‐Andersen Morten , Engholm‐Keller Kasper , Roepstorff Peter
Published: August 2011

Review: 84 refs.
Vortex‐in‐cell method combined with a boundary element method for incompressible viscous flow analysis
Authors: Kim Yoo‐Chul , Suh Jung‐Chun , Lee Kyung‐Jun
Published: August 2011

In this study, an immersed boundary vortex‐in‐cell (VIC) method for simulating the incompressible flow external to two‐dimensional and three‐dimensional bodies is presented. The vorticity transport equation, which is the governing equation of the VIC method, is represented in a Lagrangian form and solved by the vortex blob representation of the flow field. In the present scheme, the treatment of convection and diffusion is based on the classical fractional step algorithm. The rotational component of the velocity is obtained by solving Poisson's equation using an FFT method on a regular Cartesian grid, and the solenoidal component is determined from solving an integral equation using the panel method for the convection term, and the diffusion term is implemented by a particle strength exchange scheme. Both the no‐slip and no‐through flow conditions associated with the surface boundary condition are satisfied by diffusing vortex sheet and distributing singularities on the body, respectively. The present method is distinguished from other methods by the use of the panel method for the enforcement of the no‐through flow condition. The panel method completes making use of the immersed boundary nature inherent in the VIC method and can be also adopted for the calculation of the pressure field. The overall process is parallelized using message passing interface to manage the extensive computational load in the three‐dimensional flow simulations. Copyright © 2011 John Wiley & Sons, Ltd.
Clay acquisition and processing strategies during the first millennium A.D. in the Thukela River basin, South Africa: An ethnoarchaeological approach
Authors: Fowler Kent D. , Fayek Mostafa , Middleton Emma
Published: August 2011

Despite a sizable corpus of pottery provenance studies in southern Africa, there has been no systematic research aimed at comparing modern and ancient production strategies. In this paper we present a model of Zulu clay acquisition and processing strategies and outline its implications for understanding the mineralogical composition of ceramics produced by early farming communities in the Thukela River basin in South Africa. Through a comparison of the mineralogical properties of modern and archaeological ceramics from the basin, we propose that clay‐processing strategies were considerably different during the first millennium A.D., while clay acquisition strategies have not changed considerably in the basin over time. © 2011 Wiley Periodicals, Inc.
Common mechanisms of osteosarcoma and paget's disease
Authors: Hansen Marc F. , Nellissery Maggie J. , Bhatia Pardeep
Published: August 2011

One of the most serious complications of Paget's disease is a significant increase in the incidence of osteosarcoma. Approximately 1% of Paget's patients develop osteosarcoma, an increase in risk that is several thousand-fold higher than the general population. This risk contributes significantly to the mortality and morbidity of Paget's disease patients. We examined several cases of pagetic and sporadic osteosarcoma for tumor-specific loss of constitutional heterozygosity (LoH) on chromosome 18q. Our analysis found that both pagetic and sporadic osteosarcoma tumors showed LoH for all or part of the distal portion of chromosome 18q. The pattern of LoH in both types of tumors identified a region between loci D18S60 and D18S42 that must contain the putative tumor suppressor locus. This region is tightly linked to familial Paget disease and familial expansile osteolysis (FEO). Our hypothesis is that the predisposition locus for Paget's disease and the tumor suppressor locus for osteosarcoma are either the same gene or that osteosarcoma in Paget's disease represents a deletion affecting two adjacent genes. In either model, localization of the osteosarcoma tumor suppressor gene would be of benefit in the eventual isolation of the predisposition locus for Paget's disease. We have begun to isolate and test candidate genes from within the region defined by both the familial Paget's disease families and the minimal region of LoH in osteosarcomas for evidence that one or more of them is responsible for predisposition to Paget's disease and/or osteosarcoma.
Surgical management of neoplastic complications of paget's disease
Authors: Harrington Kevin D.
Published: August 2011

Pagetic sarcoma is a rare anaplastic malignancy with a peak incidence in the seventh and eighth decades of life; it usually occurs in patients with polyostotic Paget's disease. The most common tumor type is osteosarcoma. In one-third of the cases, presentation is a spontaneous pathologic fracture of an affected long bone. Amputation is the most appropriate form of surgical management in most cases because of the aggressive behavior of the sarcoma and its usually late presentation in this elderly population. However, selected patients with extremity lesions may be managed by pre- and postoperative chemotherapy and wide curative resection with limb salvage reconstruction. It is essential to differentiate pagetic sarcoma from metastatic carcinoma in pagetic bone and from a benign giant cell tumor.
Goals of treatment for paget's disease of bone
Authors: Siris Ethel S.
Published: August 2011

The goals of treatment of Paget's disease must be readdressed in the context of the availability of potent bisphosphonate compounds, including pamidronate and, more recently, alendronate and risedronate. These agents differ from the traditional mainstays of therapy, salmon calcitonin and etidronate, in several respects. First, they achieve a reduction in the elevated indices of pagetic bone turnover of about 80%, in contrast with the 50% reduction seen with the older agents. Second, a majority of patients (in the range of 50–75%, depending on the series) achieve biochemical remission, and the duration of remission may exceed 1 year or more after a single course of therapy. Third, with the newer bisphosphonates the quality of newly forming bone after successful treatment is lamellar in appearance (as was the case with etidronate) but there is no clinically significant mineralization abnormality associated with these more recent agents. With prior therapies, the primary goal of treatment was to relieve symptoms. In the absence of complete suppression of abnormal turnover, disease progression was not completely halted in many patients, increasing the risk of long-term complications. The characteristics of the newer agents, however, suggest that in those patients who achieve remission there is a possibility, albeit not yet proven, of arresting progression and reducing the risk of later complications. Many patients have no symptoms at presentation but have active disease at locations where progression could cause bone enlargement and deformity over time. These patients may be considered to be at increased risk of future complications if untreated. Thus, it is recommended that such individuals receive therapy with a potent bisphosphonate with the goal of attaining normal (or near normal) biochemical indices after initial treatment and/or retreatment Patients should be followed with measurement of serum alkaline phosphatase every 4–6 months after a course of therapy, and retreatment is suggested when indices rise above the upper limit of normal or by 25% above the previous nadir. The uncommon possibility of secondary resistance to a given agent after more than one treatment course should be assessed in all patients.
Factors associated with self-rated health in patients with paget's disease of bone
Authors: Gold Deborah T. , Burchett Bruce M. , Shipp Kathy M. , Pieper Carl F. , Lyles Kenneth W.
Published: August 2011

Multiple studies show that poor self-rated health (SRH) increases the risk of mortality up to 5-fold when compared to excellent SRH. This powerful association remains even with objective health status and risk factors controlled. However, few studies have examined the determinants of SRH, especially as they relate to specific chronic diseases. Here we identify personal characteristics and disease-related attributes that are strongly associated with SRH in a sample of patients with Paget's disease of bone to determine whether any factors can be modified. Two thousand people randomly selected from the Paget Foundation mailing list received a survey asking for information on demographics, general health and functioning, and the impact of Paget's disease. Nine hundred and fifty-eight PD patients returned the completed survey and answered the question, “How would you rate your overall health?” Answers ranged from excellent (1) to poor (5). Ordinary least squares regression was used, with SRH as the dependent variable, to identify those variables significantly associated with SRH. The overall regression model was significant (p = 0.0001; R2 = 0.44). Age (p = 0.005), satisfaction with family help (p = 0.0001), number of comorbid conditions (p = 0.0001), functional limitations (p = 0.0003), disease impact (p = 0.0002), health compared to 5 years ago (p = 0.0001), and depressive symptoms (p = 0.012) were significant predictors. Of these, satisfaction with family help, functional limitations, disease impact, and depressive symptoms are potentially modifiable with appropriate interventions. Future longitudinal studies should examine the effectiveness of such interventions in improving SRH.
Critical‐size defect induces unicompartmental osteoarthritis in a stable ovine knee
Authors: Schinhan Martina , Gruber Martin , Vavken Patrick , Dorotka Ronald , Samouh Leila , Chiari Catharina , Gruebl‐Barabas Ruth , Nehrer Stefan
Published: August 2011

Animal models simulating osteoarthritis are frequently associated with irreversible changes in biomechanics. Although these models successfully induce osteoarthritis, results of experimental repair procedures are impaired by biomechanical problems. The aim of this study was to define the critical size of a chondral lesion to induce unicompartmental osteoarthritis in a stable joint. Sixteen sheep were randomly divided into four treatment groups. A cartilage defect (7‐ or 14‐mm diameter) was created in the weight‐bearing zone of the medial femoral condyle. The sheep were mobilized for 6 or 12 weeks. Osteoarthritis was determined by gross assessment, India ink staining, histology (Mankin score), and analysis of COMP in the serum. In the 6‐week group, only minor osteoarthritis was registered for either defect size. After 12 weeks, the 14‐mm defect induced minor osteoarthritis at the femoral condyle and caused significant degenerative changes at the tibial articular cartilage and the meniscus. The 7‐mm defect created focal unicompartmental osteoarthritis at the medial femoral condyle and minor degenerative changes at the corresponding tibia. A 7‐mm full‐thickness chondral defect with a weight‐bearing regimen of 12 weeks induced local osteoarthritis at the medial compartment in an otherwise stable joint as aimed. © 2011 Orthopaedic Research Society Published by Wiley Periodicals, Inc. J Orthop Res 30:214–220, 2012
Antimicrobial and Hemolytic Activities of Copolymers with Cationic and Hydrophobic Groups: A Comparison of Block and Random Copolymers
Authors: Wang Yanqiang , Xu Junjuan , Zhang Yueheng , Yan Husheng , Liu Keliang
Published: August 2011

Random and diblock copolymers of 2‐(N,N‐dimethylamino)ethyl methacrylate and butyl methacrylate are prepared by ATRP. As mimics of cationic antimicrobial peptides, the random and diblock copolymers show similar antimicrobial activities. In contrast, the diblock copolymers have much lower hemolytic activities than the random copolymers. The cell selectivity (HC50/MIC, where HC50 is the concentration to lyse 50% of human red blood cells and MIC is the minimum concentration to inhibit bacterial growth) of the diblock copolymers are 150 to 27 500 times higher than that of random copolymers with similar compositions.

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The Dutch Cannabis Dependence (CanDep) study on the course of frequent cannabis use and dependence: objectives, methods and sample characteristics
Authors: van der Pol Peggy , Liebregts Nienke , de Graaf Ron , Korf Dirk J. , van den Brink Wim , van Laar Margriet
Published: August 2011

This paper presents an overview of the prospective cohort design of the Dutch Cannabis Dependence (CanDep) study, which investigates (i) the three‐year natural course of frequent cannabis use (≥ three days per week in the past 12 months) and cannabis dependence; and (ii) the factors involved in the transition from frequent non‐dependent cannabis use to cannabis dependence, and remission from dependence. Besides its scientific relevance, this knowledge may contribute to improve selective and indicated prevention, early detection, treatment and cannabis policies. The secondary objectives are the identification of factors related to treatment seeking and the validation of self report measures of cannabis use.

Between September 2008 and April 2009, baseline data were collected from 600 frequent cannabis users with an average age of 22.1 years, predominantly male (79.3%) and an average cannabis use history of 7.1 years; 42.0% fulfilled a (12‐month DSM‐IV) diagnosis of cannabis dependence. The response rate was 83.7% after the first follow up at 18 months. The second and last follow‐up is planned at 36 months. Computer assisted personal interviews (CAPI) were conducted which covered: cannabis use (including detailed assessments of exposure, motives for use and potency preference); use of other substances; DSM‐IV internalizing and externalizing mental disorders; treatment seeking; personality; life events; social support and social functioning. Copyright © 2011 John Wiley & Sons, Ltd.
Shear‐induced fibrillation and resultant mechanical properties of injection‐molded polyamide 1010/isotactic polypropylene blends
Authors: Su Run , Jiang Kun , Ge Yao , Hu Shanwei , Li Zhen , Li Xiuyun , Wang Ke , Zhang Qin , Fu Qiang , Yang Fengxia
Published: August 2011

It is feasible to control the phase morphology and orientation for immiscible polymer blends to manipulate their properties. In this paper, the blend of polyamide 1010 (PA1010) and isotactic polypropylene (iPP) (mainly at a fixed ratio of PA1010/iPP = 80/20) was used as an example to demonstrate the effect of shear on the morphology and resultant mechanical properties. After being melt blended, the injection‐molded bars were prepared via a dynamic packing equipment to impose a prolonged shearing on the melts during the solidification stage. By controlling the shear time, the structure evolution and morphological development of the blends can be well controlled. Mechanical measurement of the molded bar showed a dramatically improved tensile property and impact strength with increasing shear time. Morphological examination revealed that the iPP droplets are elongated and become thin fibrils along the shear direction with increasing shear time. The shear‐induced fibrillation, instead of orientation, is believed to be responsible for the largely improved properties of the blend, particularly for the impact strength. The toughening mechanism is discussed based on the combined effect of hindrance of crack propagation and the transferring and bearing of the load due to the existence of the fibrils. This was further proved by changing the blending ratio and using low molecular weight iPP. Finally, we propose a concept for designing blending materials with good comprehensive properties. Copyright © 2011 Society of Chemical Industry
Reduced mortality in cystic fibrosis patients treated with tobramycin inhalation solution
Authors: Sawicki Gregory S. , Signorovitch James E. , Zhang Jie , Latremouille‐Viau Dominick , von Wartburg Markus , Wu Eric Q. , Shi Lizheng
Published: August 2011

Background

Though tobramycin inhalation solution has been used for over a decade to improve lung function and reduce exacerbations in patients with cystic fibrosis (CF), its effects on mortality have not been well‐described. This study aimed to assess the association between use of tobramycin inhaled solution and mortality in patients with CF and chronic Pseudomonas aeruginosa (PA) infection.

Methods

Longitudinal logistic regression was used to assess the association between current‐year reported use of tobramycin inhalation solution and subsequent‐year mortality of patients meeting recommended criteria for tobramycin inhalation solution use in the United States Cystic Fibrosis Foundation's Patient Registry (1996–2008).

Results

Among 12,740 patients meeting inclusion criteria, 2,538 deaths were observed during a median follow‐up of 6 years. After regression adjustment, use of tobramycin inhaled solution was associated with a 21% reduction in the odds of subsequent year mortality (odds ratio (95% CI): 0.79 (0.72–0.88), P < 0.001). In our model, use of dornase alfa was also associated with a 15% reduction in the odds of subsequent year mortality (odds ratio (95% CI): 0.85 (0.76–0.95), P = 0.005). Underweight for age, CF‐related diabetes, female gender, worse lung function and cultures positive for Pseudomonas aeruginosa or Burkholderia cepacia complex, among multiple other patient characteristics, were associated with significantly increased mortality. Adjusted mortality rates for patients reporting tobramycin inhalation solution use in all versus none of the follow‐up years were 1.3% versus 2.1% at 2 years, 5.2% versus 8.0% at 5 years, and 9.9% versus 15.0% at 10 years.

Conclusion

After adjustment for multiple patient characteristics and known risk factors, use of tobramycin inhalation solution was associated with significantly reduced mortality among patients with CF. Pediatr Pulmonol. Pediatr Pulmonol. 2012; 47:44–52. © 2010 Wiley Periodicals, Inc.
Turner syndrome and sexual differentiation of the brain: implications for understanding male-biased neurodevelopmental disorders
Authors: Knickmeyer Rebecca Christine , Davenport Marsha
Published: August 2011

Turner syndrome (TS) is one of the most common sex chromosome abnormalities. Affected individuals often show a unique pattern of cognitive strengths and weaknesses and are at increased risk for a number of other neurodevelopmental conditions, many of which are more common in typical males than typical females (e.g., autism and attention-deficit hyperactivity disorder). This phenotype may reflect gonadal steroid deficiency, haploinsufficiency of X chromosome genes, failure to express parentally imprinted genes, and the uncovering of X chromosome mutations. Understanding the contribution of these different mechanisms to outcome has the potential to improve clinical care for individuals with TS and to better our understanding of the differential vulnerability to and expression of neurodevelopmental disorders in males and females. In this paper, we review what is currently known about cognition and brain development in individuals with TS, discuss underlying mechanisms and their relevance to understanding male-biased neurodevelopmental conditions, and suggest directions for future research.
Prosodic abilities in Spanish and English children with Williams syndrome: A cross-linguistic study
Authors: MARTÍNEZ-CASTILLA PASTORA , STOJANOVIK VESNA , SETTER JANE , SOTILLO MARÍA
Published: August 2011

The aim of this study was to compare the prosodic profiles of English- and Spanish-speaking children with Williams syndrome (WS), examining cross-linguistic differences. Two groups of children with WS, English and Spanish, of similar chronological and nonverbal mental age, were compared on performance in expressive and receptive prosodic tasks from the Profiling Elements of Prosody in Speech–Communication Battery in its English or Spanish version. Differences between the English and Spanish WS groups were found regarding the understanding of affect through prosodic means, using prosody to make words more prominent, and imitating different prosodic patterns. Such differences between the two WS groups on function prosody tasks mirrored the cross-linguistic differences already reported in typically developing children.
The leading mode of Indian Summer Monsoon precipitation variability during the last millennium
Authors: Sinha Ashish , Berkelhammer Max , Stott Lowell , Mudelsee Manfred , Cheng Hai , Biswas Jayant
Published: August 2011

The “internally” generated intraseasonal variability of the Indian Summer Monsoon is characterized by intermittent periods of enhanced (“active”) and deficient (“break”) precipitation, which produce a quasi east‐west precipitation dipole over the Indian subcontinent. Here we present multicentennial‐length and near annually‐resolved reconstructions of monsoon precipitation, inferred from absolute‐dated and instrumentally calibrated speleothem oxygen isotope records from regions (central and northeast India) that have diametric responses to active‐break monsoon circulation patterns. On centennial timescales (AD 1400–2008), precipitation variability from these two regions exhibit opposing behavior, oscillating between periods with a persistently “active‐dominated” (AD ∼1700 to 2007) and a “break‐dominated” (AD 1400 to ∼1700) regime. The switch between these regimes occurs abruptly (within decades) at a time (AD ∼ 1650–1700) when a proxy record of upwelling intensity from the Arabian Sea suggest an abrupt increase in the monsoon winds. On the basis of these observations, we hypothesize that the frequency distribution of active‐break periods varies on centennial timescales, implying a leading role of internal dynamics in governing the ISM response to slowly‐evolving changes in the external boundary conditions.
Dust-acoustic solitary modes in plasmas with isothermal and nonthermal ions: Polarity switches and coexistence domains
Authors: Verheest Frank
Published: August 2011

Large dust-acoustic waves are investigated in a multispecies plasma model consisting of cold negative dust in the presence of cooler Boltzmann and hotter nonthermal Cairns positive ions, in a Sagdeev pseudopotential formalism. Use of the pseudopotential at the acoustic speed itself yields in a systematic way compositional parameter values where negative/positive solitons interchange polarities and also where both polarities coexist. The latter requires that solitons at the acoustic speed exist, with finite amplitudes, compared to superacoustic solitons of the opposite polarity. The coexistence region starts when the pseudopotential at the acoustic speed has a negative root at the limit of infinite dust compression and ends when a positive double root is encountered. Outside the coexistence domain, only negative or positive superacoustic solitons can exist. Thus, the discussion and numerical evaluations are guided by precise physical and analytic arguments rather than mere numerical experimentation. Graphs of relevant Sagdeev pseudopotentials illustrate the link with the analytical constraints.
Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach
Authors: Ko Chaehyuk , Pak Michael V. , Swalina Chet , Hammes-Schiffer Sharon
Published: August 2011

The nuclear-electronic orbital (NEO) approach treats specified nuclei quantum mechanically on the same level as the electrons with molecular orbital techniques. The explicitly correlated Hartree-Fock (NEO-XCHF) approach was developed to incorporate electron-nucleus dynamical correlation directly into the variational optimization of the nuclear-electronic wavefunction. In the original version of this approach, the Hartree-Fock wavefunction is multiplied by $(1 + \hat G)$(1+Ĝ), where $\hat G$Ĝ is a geminal operator expressed as a sum of Gaussian type geminal functions that depend on the electron-proton distance. Herein, a new wavefunction ansatz is proposed to avoid the computation of five- and six-particle integrals and to simplify the computation of the lower dimensional integrals involving the geminal functions. In the new ansatz, denoted NEO-XCHF2, the Hartree-Fock wavefunction is multiplied by $\sqrt {1 + \hat G} $1+Ĝ rather than $(1 + \hat G)$(1+Ĝ). Although the NEO-XCHF2 ansatz eliminates the integrals that are quadratic in the geminal functions, it introduces terms in the kinetic energy integrals with no known analytical solution. A truncated expansion scheme is devised to approximate these problematic terms. An alternative hybrid approach, in which the kinetic energy terms are calculated with the original NEO-XCHF ansatz and the potential energy terms are calculated with the NEO-XCHF2 ansatz, is also implemented. Applications to a series of model systems with up to four electrons provide validation for the NEO-XCHF2 approach and the treatments of the kinetic energy terms.
Nanoporous silicon: Surface effect and bandgap blueshift
Authors: Ouyang Gang , Zhang Ai , Zhu Ziming , Zhu Weiguang , Yang Guowei
Published: August 2011

An analytic model addressing the energy bandgap of nanoporous (NPs) structures with aligned cylindrical pores has been established from the perspective of nanothermodynamic considerations. It is found that the bandgap energies of NPs structures are unambiguously blueshifted as compared with those of nanowires with the same sizes and the bulk counterparts. The anomalous surface energies in the inner and outer surfaces of NPs structures seem the physical origin of the bandgap shifts. Agreement between the theoretical predictions and the evidence from experimental measurements and calculations suggested that the proposed method could be expected to be applicable to NPs structural materials.
Optical temperature sensor based on ZnO thin film's temperature-dependent optical properties
Authors: Chenghua Sui , Juan Xia , Helin Wang , Tianning Xu , Bo Yan , Yuling Liu
Published: August 2011

A reflective fiber temperature sensor system based on the ZnO thin film is proposed. The transmittance spectra and temperature dependent optical property of the sensing head with ZnO thin film is investigated theoretically and experimentally, and the temperature resolution of ∼1 °C is obtained in the temperature region of 300–773 K. The temperature sensing system is only related to the wavelength shift of transmittance spectra, and has a high stability without depending on the incident light intensity. This research results also indicate a fiber optical sensor with a broad temperature measurement range (10–1800 K) can be gained as a promising temperature sensing device, and can be applied into some extremely environments, such as aircraft, nuclear power station and power transmission system, and so on.
Ferromagnetism in C-doped SnO2 thin films
Authors: Hoa Hong Nguyen , Song J.-H. , Raghavender A. T. , Asaeda T. , Kurisu M.
Published: August 2011

Room temperature ferromagnetism (FM) was observed in laser ablated C-doped SnO2 thin films grown on LaAlO3 substrates. The greatest value of the saturated magnetization (at 1 T) is found in SnO2 films doped with 1% of C (about 16 emu/cm3) and reduces lightly as the C concentration increases. By subtracting the base of pure SnO2 that is also magnetic, one can find that C-doping actually enhances ferromagnetism in the host SnO2. It suggests that carbon really causes defect-induced magnetism of about 3.91 μB/C into SnO2. Measurements on C-doped SnO2 bulks show that the observed properties are unique for films (lower dimensions, having surface/interface effect). The investigation on thickness dependence shows a change in magnetization when going from thin to thick films, implying that somehow if magnetism is due to defects then those must be located more on or near the surface than in deeper layers. Anisotropy is also observed, enforcing the assumption for the origin of magnetism due to defects in C-doped SnO2.
Experimental and theoretical studies of neutral MgmCnHx and BemCnHx clusters
Authors: Dong Feng , Xie Yan , Bernstein Elliot R.
Published: August 2011

Neutral MgmCnHx and BemCnHx clusters are investigated both experimentally and theoretically for the first time. Single photon ionization at 193 nm is used to detect neutral cluster distributions through time of flight mass spectrometry. MgmCnHx and BemCnHx clusters are generated through laser ablation of Mg or Be foil into CH4/He expansion gas. A number of members of each cluster series are identified through isotopic substitution experiments employing 13CH4 and CD4 instead of CH4 in the expansion gas. An oscillation of the vertical ionization energies (VIEs) of MgmCnHx clusters is observed in the experiments. The VIEs of MgmCnHx clusters are observed to vary as a function of the number of H atoms in the clusters. Density functional theory (DFT) and ab initio (MP2) calculations are carried out to explore the structures and ionization energies of MgmCnHx clusters. Many BemCnHx clusters are also generated and detected in the experiments. The structures and VIEs of BemCnHx clusters are also studied by theoretical calculations. Calculational results provide a good and consistent explanation for the experimental observations, and are in general agreement with them for both series of clusters.
73 mm-diameter bulk metallic glass rod by copper mould casting
Authors: Lou H. B. , Wang X. D. , Xu F. , Ding S. Q. , Cao Q. P. , Hono K. , Jiang J. Z.
Published: August 2011

To be structural materials, the critical size is always a bottleneck of bulk metallic glasses (BMGs) due to the cooling rate restriction. Here, we report a developed alloy of Zr46Cu30.14Ag8.36Al8Be7.5, which can be cast into amorphous rods in 73 mm diameter by copper mould casting. The strong glass forming ability of this alloy is closely related to the Be addition, which not only suppresses the phase separation happening in the as-cast Be-free BMG but also sustains low Gibbs free energy difference for crystallization. This finding will stimulate more interests in developing BMGs and their industrial applications.
Density functional theory for rod-coil polymers with different size segments
Authors: Jiang Jian , Xu Xiaofei , Huang Jinyang , Cao Dapeng
Published: August 2011

A polymer density functional theory (PDFT) for rod-coil copolymers with different size segments is proposed, in which the PDFT approach combines a modified fundamental measure theory for the excluded-volume effects, Wertheim's first-order thermodynamics perturbation theory for the chain connectivity and the mean field approximation for van der Waals attraction. First, for testing the PDFT derived, we compare the density profiles from present theory to simulation data, and find that the present theory successfully reproduces the simulation data. Therefore, we use the PDFT to further investigate the local density and solvation forces of rod-coils with different size (A5D3) and the same size (A5B3) segments. Results indicate that the excluded volume effect from the coil part determines the solvation force profiles of two rod-coil brushes at strong surface energy. In addition, owing to the vacuum effect, the weak attraction around the classical contact of the rod-coil brushes is also observed. In short, the present theory can be easily applied to the other architecture polymers containing different size segments. It is expected that the calculation results in this work could provide useful reference to select the rod-coils as stabilizer for the protection of surfaces or the colloidal stabilization.
Magnetic phase separation in SrCoOx (2.5 ≤ x ≤ 3)
Authors: Xie C. K. , Nie Y. F. , Wells B. O. , Budnick J. I. , Hines W. A. , Dabrowski B.
Published: August 2011

This work presents a study of the electronic phase separation resulting from oxygen non-stoichiometry in SrCoOx. We report here that for oxygen content 2.88 ≤ x ≤ 3, SrCoOx exhibits a magnetic phase separation while maintaining a single crystallographic phase. Two magnetic components are formed which match those found in SrCoO2.88 and SrCoO3 with TC = 220 K and 280 K, respectively. In addition, a value of TC = 160 K is assigned to the previously identified SrCoO2.75 phase. A magnetic phase diagram with four line phases is proposed for SrCoOx (2.5 ≤ x ≤ 3).
Room temperature spin relaxation length in spin light-emitting diodes
Authors: Soldat Henning , Li Mingyuan , Gerhardt Nils C. , Hofmann Martin R. , Ludwig Arne , Ebbing Astrid , Reuter Dirk , Wieck Andreas D. , Stromberg Frank , Keune Werner , Wende Heiko
Published: August 2011

We investigate the spin relaxation length in GaAs spin light-emitting diode devices under drift transport at room temperature. The spin-polarised electrons are injected through a MgO tunnel barrier from a Fe/Tb multilayer in magnetic remanence. The decrease in circular polarization with increasing injection path length is investigated and found to be exponential, supporting drift-based transport. The spin relaxation length in our samples is 26 nm, and a lower bound for the spin injection efficiency at the spin injector/GaAs interface is estimated to be 25 ± 2%.
Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydration
Authors: Ashbaugh Henry S. , Liu Lixin , Surampudi Lalitanand N.
Published: August 2011

Previous studies of simple gas hydration have demonstrated that the accuracy of molecular simulations at capturing the thermodynamic signatures of hydrophobic hydration is linked both to the fidelity of the water model at replicating the experimental liquid density at ambient pressure and an accounting of polarization interactions between the solute and water. We extend those studies to examine alkane hydration using the transferable potentials for phase equilibria united-atom model for linear and branched alkanes, developed to reproduce alkane phase behavior, and the TIP4P/2005 model for water, which provides one of the best descriptions of liquid water for the available fixed-point charge models. Alkane site/water oxygen Lennard-Jones cross interactions were optimized to reproduce the experimental alkane hydration free energies over a range of temperatures. The optimized model reproduces the hydration free energies of the fitted alkanes with a root mean square difference between simulation and experiment of 0.06 kcal/mol over a wide temperature range, compared to 0.44 kcal/mol for the parent model. The optimized model accurately reproduces the temperature dependence of hydrophobic hydration, as characterized by the hydration enthalpies, entropies, and heat capacities, as well as the pressure response, as characterized by partial molar volumes.
Cavitation and crystallization in a metastable Lennard-Jones liquid at negative pressures and low temperatures
Authors: Baidakov Vladimir G. , Bobrov Konstantin S. , Teterin Aleksey S.
Published: August 2011

Molecular dynamics simulations have been used to investigate the kinetics of spontaneous cavitation and crystallization in a Lennard-Jones liquid at negative pressures in the temperature range where these processes compete with each other. The nucleation rate has been calculated in NVE and NpT ensembles by the method of mean lifetime and the transition interface sampling method with parallel path swapping. The data obtained have been used to determine in the framework of classical nucleation theory the value of the ratio of the solid–liquid and the liquid–void interfacial free energy for critical crystals and cavities and the values of their volumes at points where the cavitation rate of the liquid is equal to the rate of its crystallization.