bluuebunny/crossref_metadata_2025_split huggingface dataset:
Usefulness of pharmacist‐assisted screening and psychiatric referral program for outpatients with cancer undergoing chemotherapy
Authors: Ito Tatsuhiko , Shimizu Ken , Ichida Yasuhiko , Ishibashi Yuki , Akizuki Nobuya , Ogawa Asao , Fujimori Maiko , Kaneko Naoko , Ueda Ikuyo , Nakayama Kazuhiko , Uchitomi Yosuke 
Published: March 2011

AbstractObjective: Major depressive disorder (MDD) and adjustment disorder (AD) are common psychiatric disorders in cancer patients but are often overlooked in clinical oncology settings. We introduced a clinical screening program utilizing the Distress and Impact Thermometer (DIT) to identify MDD and AD in cancer outpatients receiving chemotherapy. This study assessed the usefulness of the screening program.Methods: Pharmacists administered the DIT to consecutive patients undergoing chemotherapy at an outpatient clinic. Psychiatric treatment was recommended to all the patients with positive screening results. The proportion of patients referred to the Psychiatric Service during the program period was then compared with that during a usual care period.Results: Of the 520 patients who started chemotherapy during the 6‐month program period, 5.0% (26/520) were referred to the Psychiatric Service and 2.7% (15/520) were diagnosed as having MDD or AD. No statistically significant difference in the referral rates was observed between the two periods (2.7 vs 1.0%, p = 0.46). However, the period from the first chemotherapy treatment until the visit to the Psychiatric Service was significantly shorter during the program period than during the period of usual care (12.9±13.2 days vs 55.6±17.6 days, p<0.001).Conclusions: The proportion of patients referred to the Psychiatric Service for the treatment of MDD or AD during the program period was not different from that during the usual care period. However, the program was useful for introducing psychiatric treatment at an earlier stage. Further modifications to the program to improve the referral rate are necessary. Copyright © 2011 John Wiley & Sons, Ltd.
Composition and biological activity of essential oils from Labiatae against Nezara viridula (Hemiptera: Pentatomidae) soybean pest
Authors: Werdin González Jorge O , Gutiérrez María M , Murray Ana P , Ferrero Adriana A 
Published: March 2011

AbstractBACKGROUND: Plant essential oils have been recognised as an important natural source of insecticide. This study analysed the chemical constituents and bioactivity of essential oils that were isolated via hydrodistillation from Origanum vulgare L. (oregano) and Thymus vulgaris L. (thyme) against eggs, second instar and adults of Nezara viridula (L.).RESULTS: The major component of oregano was p‐cymene, and, for thyme, thymol. The ovicidal activity was tested by topical application; the essential oil from thyme was more effective. The fumigant activity was evaluated in an enclosed chamber; the LC50 values for oregano were 26.8 and 285.6 µg mL−1 for nymphs and adults respectively; for thyme they were 8.9 µg mL−1 for nymphs and 219.2 µg mL−1 for adults. To evaluate contact activity, a glass vial bioassay was used; the LC50 values for oregano were 1.7 and 169.2 µg cm−2 for nymphs and adults respectively; for thyme they were 3.5 and 48.8 µg cm−2 respectively. The LT50 analyses for contact and fumigant bioassays indicated that thyme was more toxic for nymphs and adults than oregano. Both oils produced repellency on nymphs and adults.CONCLUSION: These results showed that the essential oils from O. vulgare and T. vulgaris could be applicable to the management of N. viridula. Copyright © 2011 Society of Chemical Industry
Synthesis of allylic trifluoromethyl ketones and their activity as inhibitors of the sex pheromone of the leopard moth, Zeuzera pyrina L. (Lepidoptera: Cossidae)
Authors: Muñoz Lourdes , Bosch M Pilar , Batllori Lluís , Rosell Glòria , Bosch Dolors , Guerrero Angel , Avilla Jesús 
Published: March 2011

AbstractBACKGROUND: Trifluoromethyl ketones (TFMKs), structurally related to the pheromones, are good inhibitors of pheromone communication in insects. To determine their activity on Zeuzera pyrina L. (Lepidoptera: Cossidae), a polyphagous pest, the authors have prepared two diunsaturated TFMK analogues of the major (3) and the minor (4) pheromone components, and two monounsaturated ones (5, 6). Their biological activity in electroantennogram (EAG), wind tunnel and field tests is presented.RESULTS: The synthetic strategy to obtain the allylic TFMKs 3 and 5 is based on the reactions of diene 10 and 1‐octadecene with trifluoroacetaldehyde ethyl hemiacetal, followed by Dess–Martin oxidation of the resulting homoallylic trifluoromethyl alcohols. In EAG, topical application of analogues 3 and 4 on male antennae significantly reduced the pheromone response. In the wind tunnel, compound 4 reduced the number of contacts with the pheromone source. In the field, traps baited with mixtures of pheromone and inhibitors captured significantly fewer males than the pheromone alone.CONCLUSION: An efficient synthesis of allylic TFMKs is reported, with good overall yield, regiospecificity and diastereoselectivity. These compounds are good inhibitors of the pheromone in electrophysiology, wind tunnel and field tests. The results show the importance of two unsaturations at positions 2 and 13 of the trifluoroacyl group in the structure of the analogues, the latter being critical for inhibitory activity. Copyright © 2011 Society of Chemical Industry
Bombus terrestris as pollinator‐and‐vector to suppress Botrytis cinerea in greenhouse strawberry
Authors: Mommaerts Veerle , Put Kurt , Smagghe Guy 
Published: March 2011

AbstractBACKGROUND: Bombus terrestris L. bumblebees are widely used as commercial pollinators, but they might also be of help in the battle against economically important crop diseases. This alternative control strategy is referred to as pollinator‐and‐vector technology. The present study was designed to investigate the capacity of B. terrestris to fulfil this role in greenhouse strawberry flowers, which were manually inoculated with a major plant pathogen, the grey mould Botrytis cinerea Pers.: Fr. A model microbiological control agent (MCA) product Prestop‐Mix was loaded in a newly developed two‐way bumblebee dispenser, and, in addition, the use of the diluent Maizena‐Plus (corn starch) was tested.RESULTS: Importantly, loading of the MCA caused no adverse effects on bumblebee workers, with no loss of survival or impairment of flight activity of the workers during the 4 week flowering period. Secondly, vectoring of Prestop‐Mix by bumblebees resulted in a higher crop production, as 71% of the flowers developed into healthy red strawberries at picking (preharvest yield) as compared with 54% in the controls. In addition, these strawberries were better protected, as 79% of the picked berries remained free of B. cinerea after a 2 day incubation (post‐harvest yield), while this percentage was only 43% in the control. Overall, the total yield (preharvest × post‐harvest) was 2–2.5 times higher than the total yield in the controls (24%) in plants exposed to bumblebees vectoring Prestop‐Mix. Thirdly, the addition of the diluent Maizena‐Plus to Prestop‐Mix at 1:1 (w/w) resulted in a similar yield to that of Prestop‐Mix used alone, and in no negative effects on the bumblebees, flowers and berries.CONCLUSIONS: This greenhouse study provides strong evidence that B. terrestris bumblebees can vector a MCA to reduce B. cinerea incidence in greenhouse strawberries, resulting in higher yields. Similar yields obtained in the treatments with Prestop‐Mix and Prestop‐Mix + Maizena‐Plus suggest an equally efficient dissemination of the biocontrol agent into the flowers with only half the initial concentration of Prestop‐Mix, which illustrates the importance of the diluent. Copyright © 2011 Society of Chemical Industry
The influence of Al content on impurity states in GaN/AlGaN asymmetrically coupled quantum dots
Authors: Wang T. X. , Li Y. , Liu Y. M. 
Published: March 2011

AbstractWe present a calculation of the donor impurity states in zinc‐blende (ZB) GaN/AlGaN asymmetrically coupled quantum dots (ACQDs). Numerical results show that the donor binding energy is distributed asymmetrically with respect to the center of the ACQDs for any Al composition. It is also found that for an impurity located inside a wide dot, the donor binding energy is insensitive to the middle barrier width (Lmb ≥ 3 nm) in ZB GaN/Al0.15Ga0.85N ACQDs. However, for an impurity located inside a narrow dot, the donor binding energy has a minimum value with increasing Al composition.
Generating function for rotation matrix elements
Authors: Akdemir S. Ö. , Öztekin E. 
Published: March 2011

AbstractThe rotation matrix elements are expressed in terms of the Jacobi, Hypergeometric, and Legendre polynomials in the literature. In this study, the generating function is presented for rotation matrix elements by using properties of Jacobi polynomials. In addition, some special values and Rodrigues' formula of rotation matrix elements are obtained by using the generating function. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Bond dissociation energies for removal of the hydroxyl group in some alcohols from quantum chemical calculations
Authors: Zhao Jun , Zeng Hui , Cheng Xinlu 
Published: March 2011

AbstractIn this theoretical work, 22 alcohols and their geometric structure properties have been investigated employing quantum chemical methods to calculate the COH equilibrium bond distances and bond dissociation energies (BDEs). Since DFT methods have been researched to have low basis sets sensitivity for small and medium molecules in our previous work (Zhao et al., J Mol Struct, 2006, 766, 87), 22 title compounds have been studied by employing the hybrid density functional theory (B3LYP, B3PW91, B3P86, PBE1PBE) in conjunction with the 6‐311G** basis set and the complete basis set (CBS–Q) method. Comparison with the available experimental data shows that CBS–Q and B3P86 methods calculated results agree very well with the experimental values, with the average absolute errors of 1.3 kcal/mol and 3.5 kcal/mol, respectively. So considering the expensive computational time, CBS–Q method can be chosen as a satisfactory method of predicting the accurate BDEs for removal of the OH group in small and medium size alcohols. And B3P86 method may give accurate BDEs for larger alcohols we haven't studied. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Multireference configuration interaction study on spectroscopic parameters and molecular constants of PO and PO+
Authors: Sun Jin‐Feng , Wang Jie‐Min , Shi De‐Heng 
Published: March 2011

AbstractThe highly accurate valence internally contracted multireference configuration interaction (MRCI) approach has been employed to investigate the potential energy curves (PECs) for the X2Π, b4Σ−, C2Σ− states of PO and the X1Σ+ state of PO+. For these electronic states, the spectroscopic parameters of the isotopes (P16O, P18O, P16O+, and P18O+) have been determined and compared with those of the investigations reported in the literature. The comparison shows that excellent agreement exists between the present results and the available experiments. With the PECs determined here, the first 30 vibrational states for P16O(X2Π, b4Σ−), P18O(X2Π, b4Σ−), P16O+(X1Σ+), and P18O+(X1Σ+) are computed when the rotational quantum number J equals zero (J = 0). The vibrational level G(υ), inertial rotation constant Bυ and centrifugal distortion constant Dυ are determined when J = 0. All the results of vibrational states except for P16O (X2Π) are reported for the first time. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Relationship between the molecular structure and the anticancer activity of N‐(2‐chloroethyl)‐N′‐cyclohexyl‐N‐nitrosoureas: A theoretical investigation
Authors: Cao Jun , Zhao Lijiao , Jin Shubin , Zhong Rugang 
Published: March 2011

AbstractN‐(2‐chloroethyl)‐N′‐cyclohexyl‐N‐nitrosoureas (CCNU) is an important alkylating agent used in the clinical treatment of cancer. The quantitative structure‐activity relationship (QSAR) of CCNU derivatives was investigated using the density functional theory (DFT)‐based descriptors and the n‐octanol/water partition coefficient (milogP). Geometry optimization was performed using the DFT/B3LYP method in conjunction with the 6‐311+G(d,p) basis set. Experimental data of anticancer activity, log(1/C), were used for the QSAR analysis. By stepwise multiple regressions, four optimum descriptors, (milog P)2, E1, EZ/E and BO1Cl8 were found for constructing the QSAR models. Two satisfied models were obtained by multiple linear regressions with the values of R2 higher than 0.9. The (milog P)2 descriptor has the highest correlation to the anticancer activity, indicating that similar improvements to hydrophilicity and lipophilicity are necessary for enhancing anticancer activity. The energy barriers for the decomposition of CCNU derivatives via a retro‐ene reaction (E1) and for the transformation from Z‐tautomers to E‐tautomers (EZ/E) are also considerable descriptors in the QSAR models. The anticancer activity is increased with the decrease of E1 and the increase of EZ/E. The BO1Cl8 descriptor, which requires the inclusion of the other three descriptors in the models, has positive correlation with the anticancer activity of CCNU derivatives. The results indicate that the introduction of the descriptors of activation energies (E1 and EZ/E) is a significant contribution to the methodology of QSAR investigations, because the dynamic descriptors may be more correlated with the biological activity of drugs and toxicants than the static descriptors. Our models shed light on the structure‐activity relationship of CCNU derivatives and may be useful in the development of more effective and less toxic nitrosoureas as anticancer agents. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Determination of pKa for substituted benzoic acids in mixed solvent using density functional theory and QSPR
Authors: Senior Samir A. , Nassar Ahmed M. 
Published: March 2011

AbstractThe pKa of some substituted benzoic acid were calculated using three different methods in 50% ethanol/water at 273.15 K with B3LYP/6‐31G(d,p) level of calculations. The calculated pKas were compared with the experimental values. The quantitative structure property relationship was found to give good results compared with the first principle methods. The solution‐phase quantum chemical descriptors were found to give more accurate pKas than the gas‐phase descriptors. The participation of quantum chemical descriptors as bond lengths and charge density mainly affects the acidity constant of studied compounds as represented by high correlation coefficient factors for the obtained equations. The obtained equations were applied to predict the acidity constant of some related structures to benzoic acid. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Applying sustainable development principles to contaminated land management using the SuRF‐UK framework
Authors: Bardos Paul , Bone Brian , Boyle Richard , Ellis Dave , Evans Frank , Harries Nicola D. , Smith Jonathan W. N. 
Published: March 2011

AbstractIn the past decade, management of historically contaminated land has largely been based on prevention of unacceptable risks to human health and the environment, to ensure a site is “fit for use.” More recently, interest has been shown in including sustainability as a decision‐making criterion. Sustainability concerns include the environmental, social, and economic consequences of risk management activities themselves, and also the opportunities for wider benefit beyond achievement of risk‐reduction goals alone. In the United Kingdom, this interest has led to the formation of a multistakeholder initiative, the UK Sustainable Remediation Forum (SuRF‐UK). This article presents a framework for assessing “sustainable remediation”; describes how it links with the relevant regulatory guidance; reviews the factors considered in sustainability; and looks at the appraisal tools that have been applied to evaluate the wider benefits and impacts of land remediation. The article also describes how the framework relates to recent international developments, including emerging European Union legislation and policy. A large part of this debate has taken place in the “grey” literature, which we review. It is proposed that a practical approach to integrating sustainability within risk‐based contaminated land management offers the possibility of a substantial step forward for the remediation industry, and a new opportunity for international consensus. © 2011 Wiley Periodicals, Inc.
Pitch‐based gender identification with two‐stage classification
Authors: Hu Yakun , Wu Dapeng , Nucci Antonio 
Published: March 2011

AbstractIn this paper, we address the speech‐based gender identification problem. Mel‐Frequency Cepstral Coefficients (MFCC) of voice samples are typically used as the features for gender identification. However, MFCC‐based classification incurs high complexity. This paper proposes a novel pitch‐based gender identification system with a two‐stage classifier to ensure accurate identification and low complexity. The first stage of the classifier identifies and labels all the speakers whose pitch clearly indicates the gender of the speaker; the complexity of this stage is very low since only threshold‐based decision rule on a scalar (i.e., pitch) is used. The ambiguous voice samples from all the other speakers (which cannot be classified with high accuracy by the first stage, and can be regarded as suspicious speakers or difficult cases) are forwarded to the second‐stage for finer examination; the second‐stage of our classifier uses Gaussian Mixture Model to accurately isolate voice samples based on gender. Experiment results show that our system is speech language/content independent, microphone independent, and robust against noisy recording conditions. Our system is extremely accurate with probability of correct classification of 98.65%, and very efficient with about 5 s required for feature extraction and classification. Copyright © 2011 John Wiley & Sons, Ltd.
A Facile Template‐Free Approach for the Large‐Scale Solid‐Phase Synthesis of CdS Nanostructures and Their Excellent Photocatalytic Performance
Authors: Apte Sanjay K. , Garaje Sunil N. , Mane Gurudas P. , Vinu Ajayan , Naik Sonali D. , Amalnerkar Dinesh P. , Kale Bharat B. 
Published: March 2011

AbstractThe simple, template‐free, low‐temperature, large‐scale synthesis of nanostructured CdS with the hexagonal wurtzite phase from bulk cadmium oxide under solid‐phase conditions is demonstrated for the first time. The novel approach involves the homogenization of cadmium oxide (CdO) and thiourea in various stoichiometric ratios at moderate temperature. Among the different molar ratios of CdO and thiourea studied, the CdO/NH2CSNH2 molar ratio of 1:2 is found to be the best to obtain highly pure CdS. The obtained CdS nanostructures exhibit excellent cubic morphology and high specific surface area with a particle size in the range of 5–7 nm. The bandgap of the nanostructured CdS is in the range of 2.42 to 2.46 eV due to its nanocrystalline nature. In photoluminescence studies, emission is observed at 520.34 and 536.42 nm, which is characteristic of the greenish‐yellow region of the visible spectrum. Considering the bandgap of the CdS is within the visible region, the photocatalytic activity for H2 generation and organic dye degradation are performed under visible‐light irradiation. The maximum H2 evolution of 2945 μmol h−1 is obtained using nanostructured CdS prepared in the 1:2 ratio, which is three times higher than that of bulk CdS (1010 μmol h−1). CdS synthesized using the 1:2 molar ratio shows maximum methylene blue degradation (87.5%) over a period of 60 min, which is approximately four times higher than that of bulk CdS (22%). This amazing performance of the material is due to its nanocrystalline nature and the high surface area of the CdS. The proposed simple methodology is believed to be a significant breakthrough in the field of nanotechnology, and the method can be further generalized as a rational preparation scheme for the large‐scale synthesis of various other nanostructured metal sulfides.
Forest productivity under climate change: a checklist for evaluating model studies
Authors: Medlyn Belinda E. , Duursma Remko A. , Zeppel Melanie J. B. 
Published: March 2011

AbstractClimate change is highly likely to impact on forest productivity over the next century. The direction and magnitude of change are uncertain because many factors are changing simultaneously, such as atmospheric composition, temperature, rainfall, and land use. Simulation models have been widely used to estimate how these interacting factors might combine to alter forest productivity. Such studies have used many different types of models with different underlying assumptions. To evaluate predictions made by such studies, it is essential to understand the type of model and the assumptions used. In this article, we provide a checklist for use when evaluating modeled estimates of climate change impacts on forest productivity. The checklist highlights the assumptions that we believe are critical in determining model outcomes. Models are classified into different general types, and assumptions relating to effects of atmospheric CO2 concentration, temperature, water availability, nutrient cycling, and disturbance are discussed. Our main aim is to provide a guide to enable correct interpretation of model projections. The article also challenges modelers to improve the quality of information provided about their model assumptions. WIREs Clim Change 2011 2 332–355 DOI: 10.1002/wcc.108This article is categorized under:

Assessing Impacts of Climate Change > Evaluating Future Impacts of Climate Change
Ciphers
Authors: Stallings William 
Published: March 2011

AbstractThis article surveys three of the most widely used ciphers: the symmetric block cipher, Advanced Encryption Standard (AES), the symmetric stream cipher, RC4, and the asymmetric cipher, RSA. WIREs Comp Stat 2011 3 239–250 DOI: 10.1002/wics.156This article is categorized under:

Algorithms and Computational Methods > Algorithms
Applications of Computational Statistics > Signal and Image Processing and Coding
Thermally responsive polymer–nanoparticle composites for biomedical applications
Authors: Strong Laura E. , West Jennifer L. 
Published: March 2011

AbstractThermally responsive polymer–metal nanoparticle composites couple the ability of certain metal nanoparticles to convert external stimuli to heat with polymers that display sharp property changes in response to temperature changes, allowing for external control over polymer properties. These systems have been investigated for a variety of biomedical applications, including drug delivery, microfluidic valve control, and cancer therapy. This article focuses on three different size scales of this system: bulk systems (>1mm), nano‐ or microscale systems, and individual particle coatings. These composite systems will continue to be widely researched in the future for their vast potential in various biomedical applications. WIREs Nanomed Nanobiotechnol 2011 3 307–317 DOI: 10.1002/wnan.138This article is categorized under:

Diagnostic Tools > Biosensing
Therapeutic Approaches and Drug Discovery > Emerging Technologies