bluuebunny/crossref_metadata_2025 huggingface dataset:
Budget impact analysis of apixaban versus other NOACs for the prevention of stroke in Italian atrial fibrillation patients
Authors: Pradelli Lorenzo , Calandriello Mario , Di Virgilio Roberto , Bellone Marco , Tubaro Marco
Published: December 2014

OBJECTIVE: This study aims to perform a budget impact analysis of the use of three available novel oral anticoagulant agents (NOACs) for preventing thromboembolic events in Italian patients with non‑valvular atrial fibrillation (NVAF).METHODS: Estimated Italian population of patients was run through a previously published lifetime decision tree/Markov model simulating their treatment with the available therapeutic options: dabigatran at two dose levels (110 mg/bid for the over 80 years old, 150 mg/bid for younger NVAF patients), rivaroxaban (20 mg/uid), and apixaban (5 mg/bid). Effectiveness and safety estimates derive from an adjusted indirect treatment comparison using warfarin as link. The main clinical events considered in the model are ischemic and hemorrhagic stroke, systemic thromboembolism, bleeds (both major and clinically relevant minor) and cardiovascular hospitalizations, besides treatment discontinuations. Epidemiological data and unit costs, actualized to 2013, are collected from Italian published sources. The budget impact analysis evaluates the financial impact of apixaban introduction by comparing expected 1,2, and 3 years costs in hypothetical scenarios: with and without apixaban. Italian NVAF patient population estimation is based on official apixaban reimbursement criteria, applying the characteristics of the trial population to national epidemiologic data. Numbers of patients for each regimen are estimated by projecting share evolution. Sensitivity analysis is performed on an alternative non‑experimental population of NVAF patients.RESULTS: Among available NOACs, apixaban was expected to be the least expensive in an estimated patient population of 364,000 Italian patients, allowing for savings of € 1,180,549, € 3,841,429 and € 5,368,918 at 1,2, and 3 years, respectively. Results of the simulation run on an alternative non‑experimental population of NVAF patients yields comparable estimates.CONCLUSIONS: The different safety and effectiveness profiles of the three available NOACs emerging from the adjusted indirect comparison indicate that apixaban could improve health care expenditure control while maintaining or increasing therapeutic appropriateness in the Italian NVAF population.
Pharmacoeconomic aspects related to the 13-valent pneumococcal conjugate vaccine: preliminary analysis of the data from the ASL of Viterbo
Authors: Dari Silvia , Verginelli Flavia , Aquilani Silvia
Published: December 2014

INTRODUCTION: Streptococcus pneumoniae is a pathogen of considerable importance to public health because it causes morbidity and mortality on the world population. It has more than 90 serotypes with different epidemiological characteristics and pathogenicity. Some categories of the population are particularly vulnerable to infection. The Regional Plan for the Prevention of Lazio for vaccination, based on the national plan for the prevention for vaccination involves the active offer of vaccination no 13-valent PCV, with a target of at least 90% in children 24 months of age.OBJECTIVE: To begin to assess the real economic impact of disease attributable to Pneumococcus, starting from the analysis of hospital discharge records (SDO) of the Viterbo's ASL.METHODS: The model is structured follows the observational approach of 33 months, from January 2012 to September 2014, selecting the SDO with a principal diagnosis of Streptococcus Pneumoniae diseases and those with a principal diagnosis of respiratory diseases without etiological diagnosis, which, with good approximation, it can be considered responsible for Streptococcus pneumoniae 40%.RESULTS: From the preliminary analysis of the data, evaluating only patients diagnosed due to Pneumococcus, is known as the only pediatric cases hospitalized are between 0 and 1 year. Therefore one might assume that vaccination disbursed to the child population with 13-valent PCV, has ensured effective protection to persons of the age group 2-18 years.CONCLUSIONS: The importance of this study is the observation conducted on an ASL, (similar in size and catchment area to many Italian realty) of the vaccination coverage effects, as provided by PRPV Lazio Region, on hospitalizations by Pneumococcus. The study offers a moment of reflection for decision makers, as it would be interesting to conduct pharmacoeconomic’s analysis in the presence of vaccination strategies extended to adults, especially for those at risk, associated with diagnostic tests etiological more specific.
Applying motivational interviewing strategies and techniques to psychiatric pharmacy practice
Authors: Biglow Michael
Published: December 2014

Motivational Interviewing was developed to address patient resistance or ambivalence. As a directive, patient-centered counseling style for eliciting behavior change through patient exploration of ambivalence, it can be widely applied to the treatment of patients with mental health conditions.
Preparation of Quasi‐Ternary Fe‐P‐C Bulk Metallic Glass Using Industrial Raw Materials with the Help of Fluxing Technique
Authors: Ling Haibo , Li Qiang , Zhang Jijun , Dong Yaqiang , Chang Chuntao , Li Hongxiang , Ki Jaeheon , Yi Seonghoon
Published: December 2014

Bulk quasi‐ternary Fe80P13C7 (the real composition is Fe79.4Si1.0P12.8C6.8) glassy rod alloy with the maximum diameter of 1.0 mm was prepared by combining fluxing treatment and J‐quenching technique using industrial cast iron and Fe–P alloys as raw materials. The result shows that the present Fe‐based bulk metallic glass (BMG) exhibits good soft magnetic and mechanical properties with a high saturation magnetization of 1.43 T, a low coercivity of 7.2 A m−1 (for as‐cast melt‐spun glassy ribbon) and a high fracture strength over 2.75 GPa. The effects of fluxing treatment on the glass‐forming ability (GFA), thermal stability, and magnetic properties of the present Fe‐based amorphous alloy fabricated using industrial raw materials have also been investigated. It is indicated that the GFA of the present Fe‐based alloy prepared using industrial raw materials is greatly improved through fluxing treatment, which should be attributed to the effective elimination of the impurities in alloy. In addition, soft magnetic properties of the present Fe‐based amorphous alloy can be significantly improved by fluxing treatment, and the melt‐spun glassy ribbon obtained from the fluxed mother alloy has a lower coercivity and higher Curie temperature compared with the melt‐spun glassy ribbon obtained from un‐fluxed mother alloy. The improvement in soft magnetic properties should be attributed to the purification of the master alloy through fluxing treatment, which results in more uniform atomic arrangement structure in the produced amorphous alloy.
Easily Accessible TADDOL‐Derived Bisphosphonite Ligands: Synthesis and Application in the Asymmetric Hydroformylation of Vinylarenes
Authors: Allmendinger Simon , Kinuta Hirotaka , Breit Bernhard
Published: December 2014

The synthesis of chiral bidentate bisphosphonite ligands based on the TADDOL motif from readily available starting materials has been developed. Taking advantage of the modular nature of the building blocks, a diverse ligand library has been prepared. Their catalytic potential has been evaluated in the asymmetric hydroformylation of styrene and derivatives. These catalysts showed high activity and provided the aldehydes in high enantiomeric purity.

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Polymer Composites for Thermoelectric Applications
Authors: McGrail Brendan T. , Sehirlioglu Alp , Pentzer Emily
Published: December 2014

This review covers recently reported polymer composites that show a thermoelectric (TE) effect and thus have potential application as thermoelectric generators and Peltier coolers. The growing need for CO2‐minimizing energy sources and thermal management systems makes the development of new TE materials a key challenge for researchers across many fields, particularly in light of the scarcity or toxicity of traditional inorganic TE materials based on Te and Pb. Recent reports of composites with inorganic and organic additives in conjugated and insulating polymer matrices are covered, as well as the techniques needed to fully characterize their TE properties.
Early Formation of the Ion‐Conducting Pore in Channelrhodopsin‐2
Authors: Kuhne Jens , Eisenhauer Kirstin , Ritter Eglof , Hegemann Peter , Gerwert Klaus , Bartl Franz
Published: December 2014

Channelrhodopsins (ChRs) are light‐gated ion channels that are widely used in optogenetics. They allow precise control of neuronal activity with light, but a detailed understanding of how the channel is gated and the ions are conducted is still lacking. The recent determination of the X‐ray structural model in the closed state marks an important milestone. Herein the open state structure is presented and the early formation of the ion conducting pore is elucidated in atomic detail using time‐resolved FTIR spectroscopy. Photo‐isomerization of the retinal‐chromophore causes a downward movement of the highly conserved E90, which opens the pore. Molecular dynamic (MD) simulations show that water molecules invade through this opened pore, Helix 2 tilts and the channel fully opens within ms. Since E90 is a highly conserved residue, the proposed E90‐Helix2‐tilt (EHT) model might describe a general activation mechanism and provides a new avenue for further mechanistic studies and engineering.
Interplay of Hole Transfer and Host–Guest Interaction in a Molecular Dyad and Triad: Ensemble and Single‐Molecule Spectroscopy and Sensing Applications
Authors: Wu Xiangyang , Liu Fang , Wells Kym L. , Tan Serena L. J. , Webster Richard D. , Tan Howe‐Siang , Zhang Dawei , Xing Bengang , Yeow Edwin K. L.
Published: December 2014

A new molecular dyad consisting of a Cy5 chromophore and ferrocene (Fc) and a triad consisting of Cy5, Fc, and β‐cyclodextrin (CD) are synthesized and their photophysical properties investigated at both the ensemble and single‐molecule levels. Hole transfer efficiency from Cy5 to Fc in the dyad is reduced upon addition of CD. This is due to an increase in the Cy5‐Fc separation (r) when the Fc is encapsulated in the macrocyclic host. On the other hand, the triad adopts either a Fc‐CD inclusion complex conformation in which hole transfer quenching of the Cy5 by Fc is minimal or a quasi‐static conformation with short r and rapid charge transfer. Single‐molecule fluorescence measurements reveal that r is lengthened when the triad molecules are deposited on a glass substrate. By combining intramolecular charge transfer and competitive supramolecular interaction, the triad acts as an efficient chemical sensor to detect different bioactive analytes such as amantadine hydrochloride and sodium lithocholate in aqueous solution and synthetic urine.
Macroscopic Self‐Assembly Based on Complementary Interactions between Nucleobase Pairs
Authors: Nakahata Masaki , Takashima Yoshinori , Hashidzume Akihito , Harada Akira
Published: December 2014

We have created a selective macroscopic self‐assembly process by using polymer gels modified with complementary DNA oligonucleotides or nucleobases. The hydrogels modified with complementary DNA oligonucleotides adhered to each other by simple contact. The organogels modified with complementary nucleobases selectively formed macroscopic assemblies by agitation in nonpolar organic solvents. The adhesion strength of each gel was estimated semi‐quantitatively by stress–strain measurements. We achieved direct adhesion between macroscopic materials both in water and in organic media, based on complementary hydrogen bonds.
Graphene Oxide Supported Molybdenum Cluster: First Heterogenized Homogeneous Catalyst for the Synthesis of Dimethylcarbonate from CO2 and Methanol
Authors: Kumar Subodh , Khatri Om P. , Cordier Stéphane , Boukherroub Rabah , Jain Suman L.
Published: December 2014

The octahedral molybdenum cluster‐based compound, Cs2Mo6Bri8Bra6 was immobilized on graphene oxide (GO) by using a facile approach. High resolution transmission electron microscopy results revealed that molybdenum clusters were uniformly distributed on the GO nanosheets. Cs2Mo6Bri8Bra6 was attached to the GO support via chemical interaction between apical ligands of Mo6Bri8Bra6 cluster units and oxygen functionalities of GO, as revealed by XPS studies. The developed material was used for the synthesis of dimethyl carbonate by reduction of carbon dioxide. The synthesized catalyst, that is, GO–Cs2Mo6Bri8Brax, exhibited higher catalytic efficiency than its homogeneous analogue without using dehydrating agent. The catalyst was found to be efficiently recyclable without significant loss of catalytic activity.
Chemistry of Diruthenium and Dirhodium Analogues of Pentaborane(9): Synthesis and Characterization of Metal N,S‐Heterocyclic Carbene and B‐Agostic Complexes
Authors: Roy Dipak Kumar , Mondal Bijan , Anju R. S. , Ghosh Sundargopal
Published: December 2014

Building upon our earlier results on the synthesis of electron‐precise transition‐metal–boron complexes, we continue to investigate the reactivity of pentaborane(9) and tetraborane(10) analogues of ruthenium and rhodium towards thiazolyl and oxazolyl ligands. Thus, mild thermolysis of nido‐[(Cp*RuH)2B3H7] (1) with 2‐mercaptobenzothiazole (2‐mbtz) and 2‐mercaptobenzoxazole (2‐mboz) led to the isolation of Cp*‐based (Cp*=η5‐C5Me5) borate complexes 5 a,b [Cp*RuBH3L] (5 a: L=C7H4NS2; 5 b: L=C7H4NOS)) and agostic complexes 7 a,b [Cp*RuBH2(L)2], (7 a: L=C7H4NS2; 7 b: L=C7H4NOS). In a similar fashion, a rhodium analogue of pentaborane(9), nido‐[(Cp*Rh)2B3H7] (2) yielded rhodaboratrane [Cp*RhBH(L)2], 10 (L=C7H4NS2). Interestingly, when the reaction was performed with an excess of 2‐mbtz, it led to the formation of the first structurally characterized N,S‐heterocyclic rhodium‐carbene complex [(Cp*Rh)(L2)(1‐benzothiazol‐2‐ylidene)] (11) (L=C7H4NS2). Furthermore, to evaluate the scope of this new route, we extended this chemistry towards the diruthenium analogue of tetraborane(10), arachno‐[(Cp*RuCO)2B2H6] (3), in which the metal center possesses different ancillary ligands.
Total Synthesis and Absolute Configuration Assignment of MRSA Active Garcinol and Isogarcinol
Authors: Socolsky Cecilia , Plietker Bernd
Published: December 2014

A short total synthesis of (±)‐garcinol and (±)‐isogarcinol, two endo‐type B PPAPs with reported activity against methiciline resistant Staphylococcus aureus (MRSA), is presented. The separation of framework‐constructing from framework‐decorating steps and the application of two highly regio‐ and stereoselective Pd‐catalysed allylations, that is, the Pd‐catalysed decarboxylative Tsuji–Trost allylation and the diastereoselective Pd‐catalysed allyl–allyl cross‐coupling, are key elements that allowed the total synthesis to be accomplished within 13 steps starting from acetylacetone. After separation of the enantiomers the absolute configurations of the four natural products (i.e., (−)‐garcinol, (+)‐guttiferone E (i.e., ent‐garcinol), (−)‐isogarcinol, and (+)‐isoxanthochymol (i.e., ent‐isogarcinol)) were assigned based on ECD spectroscopy.
Quality of life and satisfaction among prostate cancer patients followed in a dedicated survivorship clinic
Authors: Gilbert Scott M. , Dunn Rodney L. , Wittmann Daniela , Montgomery Jeffrey S. , Hollingsworth John M. , Miller David C. , Hollenbeck Brent K. , Wei John T. , Montie James E.
Published: December 2014

BACKGROUND

Integrating quality‐of‐life (QOL) outcomes into clinics may assist providers in identifying and responding to problems experienced by cancer survivors. To date, however, patient‐reported outcomes (PROs) such as QOL are used infrequently to guide care. We integrated QOL assessments into a prostate cancer survivorship clinic and compared recovery and satisfaction among men managed in the survivorship clinic with those followed with more routine care.

METHODS

We conducted a before‐after study comparing 235 men treated surgically for prostate cancer who received routine follow‐up care with 102 men managed in a survivorship clinic characterized by point‐of‐care QOL reporting and integration of QOL scores (EPIC) following radical prostatectomy. We then assessed baseline and postprostatectomy QOL at 6 and 12 months, as well as patient satisfaction, and compared outcomes between groups.

RESULTS

Although baseline QOL was comparable, scores were generally higher among the survivorship group at 6 months and 1 year compared with those followed with routine care. In particular, sexual function scores were significantly higher among patients managed in the survivorship clinic (52.2 vs 33.6 at 1 year, P < .01). Satisfaction scores were consistently higher in the survivorship clinic group compared with the routine‐care group (all P < .05).

CONCLUSIONS

Patient QOL and satisfaction were higher among men managed in a survivorship program, suggesting that disease‐specific survivorship clinics that integrate QOL reporting into care pathways may yield better outcomes compared with less tailored approaches to patient care following cancer therapy. Cancer 2015;121:1484–1491. © 2014 American Cancer Society.
An ergonomic study of visual optimization by light color managements
Authors: Hsiao Shih‐Wen , Hsiao Yu‐Ting , Chen Shih‐Kai , Hsu Chiao‐Fei , Lee Chun‐Hsing , Chiang Ya‐Hui
Published: December 2014

Light‐emitting diodes (LEDs) have the advantage of controllable light colors and provide the optimal lighting quality against various color attributes required in different environments. However, from the humanized design point of view, beside satisfying physical demands of people, it is also important to achieve satisfaction. With a good match between the LED lighting equipment and ambient colors, the space imagery that complies with psychological needs of human beings can be found. This is expected to become a new market direction for future lighting. In this study, the LED light source feature of adjustable correlated color temperature is used to match wall colors of typical commercial spaces and for the investigation and analysis of the impact of colors of light sources and environments on human beings. The measures of mental and subjective feelings of a group of people under various circumstances have also been investigated. Multivariate analysis of variance has been conducted on three color temperatures of light sources, six wall colors, and measures of five emotion adjectives, and the correlation between these three variables has been further investigated. © 2014 Wiley Periodicals, Inc. Col Res Appl, 41, 72–84, 2016
When students harass your institution, know what's in your legal toolkit
Authors: Porter Michael
Published: December 2014

Have you ever received an email like this one from a student.
Diverse Inhibition and Working Memory of Word Recognition for Dyslexic and Typically Developing Children
Authors: Wang Li‐Chih , Yang Hsien‐Ming
Published: December 2014

The present study focuses on (1) comparing dyslexic and typically developing children's cognitive and behavioural inhibitory abilities; (2) examining the relationship between word recognition, inhibition, and working memory in dyslexic and typically developing children by correlation, regression and path analyses. Participants in the present study were sampled from 3rd and 4th graders in Taiwan. Results indicated that dyslexic and typically developing children did not significantly differ in behavioural inhibition. In contrast, dyslexic children showed significantly lower levels of cognitive inhibition compared to typically developing children. Dyslexic children also showed that only cognitive inhibition significantly contributed to their word recognition, and typically developing children showed similar phenomenon. Finally, models of dyslexic and typically developing children's working memory, inhibition and word recognition were similar in that working memory and cognitive inhibition significantly contributed to word recognition for both dyslexic and typically developing children. Moreover, the contribution of the combination of working memory and inhibition was greater than the contribution of only inhibition; both of typically developing and dyslexic children's working memory showed more contributions than inhibition. Copyright © 2014 John Wiley & Sons, Ltd.
Scorpionato Halide Complexes [(TpPh,Me)Ni–X] [X = Cl, Br, I; TpPh,Me = Hydrotris(3‐phenyl‐5‐methyl‐1‐pyrazolyl)borate]: Structures, Spectroscopy, and Pyrazole Adducts
Authors: Deb Tapash , Anderson Caitlin M. , Ma Huaibo , Petersen Jeffrey L. , Young Victor G. , Jensen Michael P.
Published: December 2014

Pseudotetrahedral scorpionato halide complexes [(TpPh,Me)Ni–X] [TpPh,Me = hydrotris(3‐phenyl‐5‐methyl‐1‐pyrazolyl)borate] were synthesized by metathesis of Tl(TpPh,Me) and NiX2 (X = Cl, Br, I). Pyrazole adducts [(TpPh,Me)Ni(HpzPh,Me)(X)] (X = Cl, I) were also obtained. [(TpPh,Me)Ni–X] (X = Br, I) are isomorphous with previously reported [(TpPh,Me)Ni–Cl], and a new solvated pseudo‐polymorph [(TpPh,Me)Ni–Cl]·2CH2Cl2 was found in this work. Ni–X bond lengths correspond to ionic radii of the halide ions, but some variations in Ni–Cl and Ni–N bond lengths are respectively attributed to bending of the chloride from the ideal threefold HB···Ni axis and to the size of the 3‐pyrazole substituents. Electronic spectra were rationalized by means of time‐dependent (TD) DFT calculations on simplified C3v‐symmetric [(Tp)Ni–X] models. Exogenous pyrazole binds to give the pentacoordinate adducts [(TpPh,Me)Ni(HpzPh,Me)(X)] (X = Cl, I). We obtained a crystal structure of the iodide adduct, as well as that of [(TpPh,Me)Ni(HpzPh,Me)(Cl)]·0.5MeCN, isomorphous with a previously reported aquo monosolvate. A hallmark of adduct formation is an intramolecular N–H···X hydrogen bond between the added pyrazole and the adjacent halide ligand, thus giving rise to a strong IR absorption band. The stretching frequency correlates to the N(H)···X separation for the range of known adducts.
The longitudinal associations between C‐reactive protein and depressive symptoms: evidence from the English Longitudinal Study of Ageing (ELSA)
Authors: Au Bonnie , Smith Kimberley J. , Gariépy Geneviève , Schmitz Norbert
Published: December 2014

Objectives

The inflammatory marker C‐reactive protein (CRP) is associated with depression. We examined the directional relations between CRP and symptoms of depression among older adults.

Method

The sample consisted of 3397 participants from the English Longitudinal Study of Ageing, a prospective study of community‐dwelling older adults. CRP and depressive symptoms were measured at baseline and follow‐up. A high CRP level was dichotomized as >3 mg/L. Elevated depressive symptomatology was defined as ≥4 using the 8‐item Center for Epidemiologic Studies Depression Scale. Logistic regressions computed the association between high CRP levels at baseline with elevated depressive symptoms at follow‐up, and vice versa.

Results

After adjusting for baseline depressive symptoms, baseline high CRP levels were associated with subsequent elevated symptoms of depression (OR = 1.49; 95% CI, 1.19–1.88). This relationship was no longer significant after simultaneous adjustments for metabolic and health variables. In the other direction, after adjusting for baseline CRP levels, baseline elevated depressive symptoms was not associated with subsequent high CRP levels (OR = 1.12; 95% CI, 0.88–1.42).

Conclusion

High CRP levels at baseline are related to elevated depressive symptomatology at follow‐up due to clinical factors. No association was found in the opposite direction. Copyright © 2014 John Wiley & Sons, Ltd.
Public trust in the healthcare system in a developing country
Authors: Peters Dexnell , Youssef Farid F.
Published: December 2014

Broadly defined, trust in the healthcare system is concerned with how the public perceives the system and the actors therein as it pertains to their ability to both deliver services and seek the best interests of their clientele. Trust is important because it impacts upon a range of health behaviors including compliance and ultimately affects the ability of the healthcare system to meet its goals. While several studies exist on public trust within the developed world, few studies have explored this issue in developing countries. This paper therefore assesses public trust in the healthcare system of a developing small island nation, Trinidad and Tobago. A cross‐sectional survey of adults was conducted using a questionnaire that has been successfully used across Europe. We report that trust levels in the healthcare system in Trinidad and Tobago are relatively low with less than 50% of persons indicating fair trust in the healthcare system. In addition, individual health professionals also did not score highly with lowest scores found for nurses and complementary therapists. Results on four out of five dimensions of trust also demonstrated scores significantly lower than those reported in more developed nations. Open‐ended comments supported these findings with the majority of persons indicating a lack of confidence in the healthcare system. These results may reflect the reality in the wider developing world, and we suggest that bolstering trust is a needed area of focus in the delivery of healthcare services throughout the nation. Copyright © 2014 John Wiley & Sons, Ltd.
Effect of the preparation methods on architecture, crystallinity, hydrolytic degradation, bioactivity, and biocompatibility of PCL/bioglass composite scaffolds
Authors: Dziadek Michal , Pawlik Justyna , Menaszek Elzbieta , Stodolak‐Zych Ewa , Cholewa‐Kowalska Katarzyna
Published: December 2014

In this study, two different composition gel derived silica‐rich (S2) or calcium‐rich (A2) bioactive glasses (SBG) from a basic CaOP2O5SiO2 system were incorporated into poly(ε‐caprolactone) (PCL) matrix to obtain novel bioactive composite scaffolds for bone tissue engineering applications. The composites were fabricated in the form of highly porous 3D scaffolds using following preparation methods: solvent casting particulate leaching (SCPL), solid–liquid phase separation, phase inversion (PI). Scaffolds containing 21% vol. of each bioactive glass were characterized for architecture, crystallinity, hydrolytic degradation, surface bioactivity, and cellular response. Results indicated that the use of different preparation methods leads to obtain highly porous (60–90%) materials with differentiated morphology: pore shape, size, and distributions. Thermal analysis (DSC) showed that the preparation method of materials and addition of bioactive glass particles into polymer matrix induced the changes of PCL crystallinity. Composites obtained by SCPL and PI method containing A2 SBG rapidly formed a hydroxyapatite calcium phosphate surface layer after incubation in SBF. Bioactive glasses used as filler in composite scaffolds could neutralize the released acidic by‐products of the polymer degradation. Preliminary in vitro biological studies of the composites in contact with osteoblastic cells showed good biocompatibility of the obtained materials. Addition of bioactive glass into the PCL matrix promotes mineralization estimated on the basis of the ALP activity. These results suggest that through a process of selection appropriate methods of preparation and bioglass composition it is possible to design and obtain porous materials with suitable properties for regeneration of bone tissue. © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 103B: 1580–1593, 2015.
NFIL3 Suppresses Hypoxia‐induced Apoptotic Cell Death by Targeting the Insulin‐like Growth Factor 2 Receptor
Authors: Lin Kuan‐Ho , Kuo Chia‐Hua , Kuo Wei‐Wen , Ho Tsung‐Jung , Pai Peiying , Chen Wei‐Kung , Pan Lung‐Fa , Wang Chien‐Cheng , Padma V. Vijaya , Huang Chih‐Yang
Published: December 2014

The insulin‐like growth factor‐II/mannose 6‐phosphate receptor (IGF2R) over‐expression correlates with heart disease progression. The IGF2R is not only an IGF2 clearance receptor, but it also triggers signal transduction, resulting in cardiac hypertrophy, apoptosis and fibrosis. The present study investigated the nuclear factor IL‐3 (NFIL3), a transcription factor of the basic leucine zipper superfamily, and its potential pro‐survival effects in cardiomyocytes. NFIL3 might play a key role in heart development and act as a survival factor in the heart, but the regulatory mechanisms are still unclear. IGF2 and IGF2R protein expression were highly increased in rat hearts subjected to hemorrhagic shock. IGF2R protein expression was also up‐regulated in H9c2 cells exposed to hypoxia. Over‐expression of NFIL3 in H9c2 cardiomyoblast cells inhibited the induction of hypoxia‐induced apoptosis and down‐regulated IGF2R expression levels. Gel shift assay, double‐stranded DNA pull‐down assay and chromatin immune‐precipitation analyses indicated that NFIL3 binds directly to the IGF2R promoter region. Using a luciferase assay, we further observed NFIL3 repress IGF2R gene promoter activity. Our results demonstrate that NFIL3 is an important negative transcription factor, which through binding to the promoter of IGF2R, suppresses the apoptosis induced by IGF2R signaling in H9c2 cardiomyoblast cells under hypoxic conditions. J. Cell. Biochem. 116: 1113–1120, 2015. © 2015 Wiley Periodicals, Inc.
Organizational Culture as a Determinant of Organizational Commitment: What Drives IT Employees in India?
Authors: Neelam Netra , Bhattacharya Sonali , Sinha Vinita , Tanksale Deepa
Published: December 2014

Working with a sample of 218 IT professionals in Pune, India, researchers administered Meyer and Allen's instrument for measuring affective, normative, and continuance commitment, as well as the OCTAPACE cultural instrument that addresses openness, confrontation, trust, autonomy, proaction, authenticity, collaboration, and experimentation. The results showed that the respondents most valued the OCTAPACE elements of proaction, trust, openness, and experimentation. Perceived autonomy, experimentation, and collaboration positively influenced affective commitment, while confrontation and experimentation were found to be positive indicators of normative commitment. Authenticity was found to have links with continuance commitment. Overall, the study supports the notion that affective commitment, which is significantly high among Indian IT workers, can be further enhanced through the development of an open culture in which employees are trusted and encouraged to generate ideas, experiment collaboratively, and participate in decision making. ©2015 Wiley Periodicals, Inc.
Progressive construction of a parametric reduced‐order model for PDE‐constrained optimization
Authors: Zahr Matthew J. , Farhat Charbel
Published: December 2014

An adaptive approach to using reduced‐order models (ROMs) as surrogates in partial differential equations (PDE)‐constrained optimization is introduced that breaks the traditional offline‐online framework of model order reduction. A sequence of optimization problems constrained by a given ROM is defined with the goal of converging to the solution of a given PDE‐constrained optimization problem. For each reduced optimization problem, the constraining ROM is trained from sampling the high‐dimensional model (HDM) at the solution of some of the previous problems in the sequence. The reduced optimization problems are equipped with a nonlinear trust‐region based on a residual error indicator to keep the optimization trajectory in a region of the parameter space where the ROM is accurate. A technique for incorporating sensitivities into a reduced‐order basis is also presented, along with a methodology for computing sensitivities of the ROM that minimizes the distance to the corresponding HDM sensitivity, in a suitable norm.

The proposed reduced optimization framework is applied to subsonic aerodynamic shape optimization and shown to reduce the number of queries to the HDM by a factor of 4‐5, compared with the optimization problem solved using only the HDM, with errors in the optimal solution far less than 0.1%. Copyright © 2014 John Wiley & Sons, Ltd.
Improvement of the interfacial shear strength of poly(p‐phenylene benzobisoxazole) fiber/epoxy resin composite via a novel surface coating agent
Authors: Liu Rongbiao , Han Zhewen , Li Weifeng , Li Xinxin , Zhuang Qixin
Published: December 2014

Poly(p‐phenylene benzobisoxazole) (PBO) fiber with a smooth surface exhibits limited interfacial interaction with resin matrix. One of the effective strategies to improve the adhesion between the fiber and resin matrix is through surface modification of the fiber. In this study, we have proposed a novel surface treatment agent based on phosphoester cross‐linked castor oil (PCCO) for effective surface treatment of PBO fibers. The surface treatment agent was prepared by a simple cross‐linking reaction between hydroxy phosphorylated castor oil (PCO) and epoxy resin, with alcohol as the solvent at 65°C. Once the PBO fiber was treated with this agent, the interfacial adhesion between the PBO fiber and the epoxy resin could then be improved. Systematic analyses suggest that the surface treatment with (PCO + epoxy)/alcohol solution improves the interaction of the PBO fiber with the epoxy resin matrix. The PCCO coated onto the surface of PBO fiber acts as a coupling agent, improving the interfacial shear strength (IFSS) of the PBO fiber/epoxy resin composite. Results indicate a 156% increase in IFSS without compromising the mechanical properties of the fiber. POLYM. COMPOS., 37:1198–1205, 2016. © 2014 Society of Plastics Engineers
The effect of clay modification on the mechanical properties of poly(methyl methacrylate)/organomodified montmorillonite nanocomposites prepared byin sitususpension polymerization
Authors: Wang Xiang , Su Qiang , Shan Jiahui , Zheng Junping
Published: December 2014

Poly(methylmethacrylate) (PMMA)/montmorillonite (MMT) nanocomposites were prepared byin sitususpension polymerization. MMT was previously organically modified by different modification agents [dioctadecyl dimethyl ammonium chloride (DODAC) and methacrylatoethyltrimethyl ammonium chloride (MTC)] and different modification method (cation‐exchange reaction and grafting reaction), ultimately giving rise to five kinds of organomodified MMT (OMMT). The structure of the OMMT was studied by Wide angle X‐ray diffraction (WAXD) and Fourier transform infrared spectroscopy (FTIR). Meanwhile, the structure of the PMMA/MMT nanocomposites microspheres was also investigated by WAXD. The molecular weight of the polymers extracted from PMMA/MMT nanocomposites was measured by gel permeation chromatograph (GPC). Finally, the mechanical properties of these PMMA/MMT nanocomposites were studied in detail. It was found that large interlayer spacing (d001) of OMMT could not entirely ensure an exfoliated structure of resultant PMMA/MMT nanocomposites, while OMMT with relative smalld001could still yield exfoliated structure as long as the compatibility between OMMT and polymer matrix was favorable. In addition, the results of mechanical investigation indicated that the compatibility between OMMT and PMMA matrix turned out to be the dominant factor deciding the final mechanical properties of PMMA/MMT nanocomposites. POLYM. COMPOS., 37:1705–1714, 2016. © 2014 Society of Plastics Engineers
Hydrogel synthesis by aqueous Diels‐Alder reaction between furan modified methacrylate and polyetheramine‐based bismaleimides
Authors: García‐Astrain Clara , Algar Itxaso , Gandini Alessandro , Eceiza Arantxa , Corcuera María Ángeles , Gabilondo Nagore
Published: December 2014

A simple method for preparing cross‐linked hydrogels in an aqueous medium is investigated using Diels‐Alder (DA) “click” reaction, without employing a catalyst. A polymeric diene is first synthesized by the functionalization of poly(2‐aminoethyl methacrylate) hydrochloride with furfural. Suited bisdienophiles are prepared by modification of Jeffamine® ED of different molecular weights with maleic anhydride. Both precursors of the DA coupling are thoroughly characterized before their reactions. The ensuing hydrogels are analyzed in terms of their microstructure, swelling, and rheological behavior, as a function of the reaction conditions. The influence of the molecular weight of the cross‐linker and the furan‐to‐maleimide ratio on the final properties of the hydrogels were also investigated. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 699–708
Efficient solvent‐free alternating copolymerization of CO2 with 1, 2‐epoxydodecane and terpolymerization with styrene oxide via heterogeneous catalysis
Authors: Zhang Ying‐Ying , Wei Ren‐Jian , Zhang Xing‐Hong , Du Bin‐Yang , Fan Zhi‐Qiang
Published: December 2014

The alternating copolymerization of CO2 with the terminated epoxides anchoring long alkyl groups is rarely reported because of their low reactivity and polycarbonate selectivity. This work describes a well‐controlled solvent‐free copolymerization of CO2 with 1, 2‐epoxydodecane (EDD) with a long electron‐donating alkyl group via the catalysis of Zn‐Co(III) double metal cyanide complex catalyst. The productivity of the catalyst was up to 2406 g polymer/g Zn, that is, EDD conversion was 99.2%. The alternating degree of CO2‐EDD copolymers were more than 99% and had high number‐average molecular weights (Mns) of >100 kg mol−1, while only 1.0 wt % 4‐decyl‐1,3‐dioxolan‐2‐one (DC) were detected. Moreover, by introducing styrene oxide (SO) with electron‐withdrawing phenyl group into EDD‐CO2 copolymerization system, a new random terpolymer with either electron‐withdrawing or electron‐donating side groups was produced with single glass transition temperatures (Tgs) in a wide range from 3 to 56 °C, which might be potentially used as biodegradable elastomers or plastics. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 737–744
Adaptive machine learning framework to accelerate ab initio molecular dynamics
Authors: Botu Venkatesh , Ramprasad Rampi
Published: December 2014

Quantum mechanics‐based ab initio molecular dynamics (MD) simulation schemes offer an accurate and direct means to monitor the time evolution of materials. Nevertheless, the expensive and repetitive energy and force computations required in such simulations lead to significant bottlenecks. Here, we lay the foundations for an accelerated ab initio MD approach integrated with a machine learning framework. The proposed algorithm learns from previously visited configurations in a continuous and adaptive manner on‐the‐fly, and predicts (with chemical accuracy) the energies and atomic forces of a new configuration at a minuscule fraction of the time taken by conventional ab initio methods. Key elements of this new accelerated ab initio MD paradigm include representations of atomic configurations by numerical fingerprints, a learning algorithm to map the fingerprints to the properties, a decision engine that guides the choice of the prediction scheme, and requisite amount of ab initio data. The performance of each aspect of the proposed scheme is critically evaluated for Al in several different chemical environments. This work has enormous implications beyond ab initio MD acceleration. It can also lead to accelerated structure and property prediction schemes, and accurate force fields. © 2014 Wiley Periodicals, Inc.
Seven new microcystin variants discovered from a native Microcystis aeruginosa strain – unambiguous assignment of product ions by tandem mass spectrometry
Authors: Qi Yulin , Rosso Lorena , Sedan Daniela , Giannuzzi Leda , Andrinolo Dario , Volmer Dietrich A.
Published: December 2014

RATIONALE

High‐resolution mass spectrometry was applied to the study of a Microcystis aeruginosa strain previously reported as a [D‐Leu1]MC‐LR producer. Detailed analysis revealed new microcystin (MC) variants produced from the strain, and seven of these were previously unreported variants. This work shows the importance of mass accuracy for the identification of unknown MCs.

METHODS

The M. aeruginosa strain was isolated from a bloom sample collected from Argentina and acclimated to lab conditions. The MC variants in the strain were separated by UV/Vis detection‐guided high‐performance liquid chromatography, and their structures were unambiguous determined by tandem mass spectrometry (MS/MS).

RESULTS

A simple strategy was developed for quickly locating the low‐abundance MC precursors from complex samples. MS/MS anlysis revealed ten MC variants produced from the strain, of which seven have never been reported before.

CONCLUSIONS

This work shows the interference of isobarics and isomers in the study of unknown MCs, and, therefore, high mass accuracy is important to avoid false assignments. Moreover, the peak list provided here (30–50 fragments unambiguously assigned for ten MCs) can be used as a reference for the discovery of MCs from environmental samples. Copyright © 2014 John Wiley & Sons, Ltd.
Correcting for non‐compliance in randomized non‐inferiority trials with active and placebo control using structural models
Authors: Wu Ying , Zhao Liang , Hou Yan , Li Kang , Zhou Xiaohua
Published: December 2014

The three‐arm clinical trial design, which includes a test treatment, an active reference, and placebo control, is the gold standard for the assessment of non‐inferiority. In the presence of non‐compliance, one common concern is that an intent‐to‐treat (ITT) analysis (which is the standard approach to non‐inferiority trials), tends to increase the chances of erroneously concluding non‐inferiority, suggesting that the per‐protocol (PP) analysis may be preferable for non‐inferiority trials despite its inherent bias. The objective of this paper was to develop statistical methodology for dealing with non‐compliance in three‐arm non‐inferiority trials for censored, time‐to‐event data. Changes in treatment were here considered the only form of non‐compliance. An approach using a three‐arm rank preserving structural failure time model and G‐estimation analysis is here presented. Using simulations, the impact of non‐compliance on non‐inferiority trials was investigated in detail using ITT, PP analyses, and the present proposed method. Results indicate that the proposed method shows good characteristics, and that neither ITT nor PP analyses can always guarantee the validity of the non‐inferiority conclusion. A Statistical Analysis System program for the implementation of the proposed test procedure is available from the authors upon request. Copyright © 2014 John Wiley & Sons, Ltd.
Autocrine Production of IGF-I Increases Stem Cell-Mediated Neuroprotection
Authors: Lunn J. Simon , Sakowski Stacey A. , McGinley Lisa M. , Pacut Crystal , Hazel Thomas G. , Johe Karl , Feldman Eva L.
Published: December 2014

Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disorder resulting in motor neuron (MN) loss. There are currently no effective therapies; however, cellular therapies using neural progenitor cells protect MNs and attenuate disease progression in G93A-SOD1 ALS rats. Recently, we completed a phase I clinical trial examining intraspinal human spinal stem cell (HSSC) transplantation in ALS patients which demonstrated our approach was safe and feasible, supporting the phase II trial currently in progress. In parallel, efforts focused on understanding the mechanisms underlying the preclinical benefit of HSSCs in vitro and in animal models of ALS led us to investigate how insulin-like growth factor-I (IGF-I) production contributes to cellular therapy neuroprotection. IGF-I is a potent growth factor with proven efficacy in preclinical ALS studies, and we contend that autocrine IGF-I production may enhance the salutary effects of HSSCs. By comparing the biological properties of HSSCs to HSSCs expressing sixfold higher levels of IGF-I, we demonstrate that IGF-I production augments the production of glial-derived neurotrophic factor and accelerates neurite outgrowth without adversely affecting HSSC proliferation or terminal differentiation. Furthermore, we demonstrate that increased IGF-I induces more potent MN protection from excitotoxicity via both indirect and direct mechanisms, as demonstrated using hanging inserts with primary MNs or by culturing with organotypic spinal cord slices, respectively. These findings support our theory that combining autocrine growth factor production with HSSC transplantation may offer a novel means to achieve additive neuroprotection in ALS. Stem Cells  2015;33:1480–1489
Pro‐inflammatory response and oxidative stress induced by specific components in ambient particulate matter in human bronchial epithelial cells
Authors: Yang Lawei , Liu Gang , Lin Ziying , Wang Yahong , He Huijuan , Liu Tie , Kamp David W.
Published: December 2014

Previous studies have shown that biological effect of particulate matter (PM2.5) is involved in including chemical composition and mass concentration, but the precise components and biological action on human bronchial epithelial cell line (BEAS‐2B) are still unclear. The aim of this study was to evaluate the in vitro toxicity of PM2.5 collected at six urban sites in China, and to investigate how particle composition affects cytotoxicity. We used human bronchial epithelial (BEAS‐2B) cell lines as model in vitro to expose to PM2.5 from different source, and then reactive oxygen species (ROS), superoxide dismutase activity and total antioxidant capacity were analyzed. Furthermore, we estimated the polycyclic aromatic hydrocarbon (PAH) and transition metal and the endotoxin contents. The mRNA expression of IL‐1β and IL‐10 following exposure to PM2.5 was measured by QRT‐PCR. We also observed the mitochondrial membrane potential (MMP) using JC‐1 staining, and apoptosis of BEAS‐2B using flow cytometry. In addition, double‐stranded DNA breaks (DSBs) were assessed using γ‐H2AX immunofluorescence. Our results show that high concentrations of PAHs and elemental Ni were strongly associated with high apoptosis rates and high expression of IL‐1β, in addition, Fe element was associated with the ROS level, furthermore, Fe and Cr element were associated with DNA damage in BEAS‐2B cells. The cytotoxic effects of urban PM2.5 derived from six different cities in China appear dependent on the specific components in each. Our results indicate that air quality standards based on PM2.5 components may be more relevant than concentration–response functions (CRF). © 2014 Wiley Periodicals, Inc. Environ Toxicol 31: 923–936, 2016.
A Theorem on the Rank of a Product of Matrices with Illustration of Its Use in Goodness of Fit Testing
Authors: Satorra Albert , Neudecker Heinz
Published: December 2014

This paper develops a theorem that facilitates computing the degrees of freedom of Wald-type chi-square tests for moment restrictions when there is rank deficiency of key matrices involved in the definition of the test. An if and only if (iff) condition is developed for a simple rule of difference of ranks to be used when computing the desired degrees of freedom of the test. The theorem is developed exploiting basics tools of matrix algebra. The theorem is shown to play a key role in proving the asymptotic chi-squaredness of a goodness of fit test in moment structure analysis, and in finding the degrees of freedom of this chi-square statistic.