bluuebunny/crossref_metadata_2025 huggingface dataset:
Sales Optimization Models—Sales Force Territory Planning
Authors: Albers Sönke , Mantrala Murali K.
Published: June 2010

There have been a number of important developments and applications of operations research‐based models in the domain of sales management that have contributed significantly to enhancing sales force productivity. In this article, the authors provide an overview of the key sales resource allocation and deployment decision problems faced by firms and extant model‐based solution approaches. Understanding and estimating relationships between selling efforts and sales outputs, that is “sales response functions,” lies at the heart of models for planning the sales force size, territories, and allocating selling efforts within territories. The authors briefly review the main challenges and proposed methods for such estimations, and a well‐known example of an optimization model (CALLPLAN) that utilizes such measurements for allocating selling efforts between customers and prospects in a salesperson's territory. This is followed by a description of models that have been proposed for the design of sales territories; that is, the assignment of sets of customers to salespeople, and sales force sizing, as well as integrated sizing, territory design, and allocation models. Throughout, the article notes outstanding issues for further investigation and closes with directions for future research.
Simulation Optimization in Risk Management
Authors: Better Marco , Glover Fred
Published: June 2010

Traditional optimization approaches for handling uncertainty and risk typically require severe assumptions that are often not satisfied in complex practical settings. In an effort to overcome such limitations, several methods have been developed to handle uncertainty when the data and associated real‐world parameters do not behave according to classical assumptions. Two of the leading and most widely used examples are scenario optimization and robust optimization, both of which seek high‐quality decisions that are feasible for all scenarios. However, both of these approaches likewise succumb to deficiencies encountered by classical methods, by exhibiting serious limitations in terms of the complexity and size of the models they can handle. Simulation optimization overcomes these limitations, and its flexibility and ease of use has contributed to its popularity as a preferred optimization approach to risk management applications.
Standby Systems
Authors: Distefano Salvatore
Published: June 2010

The acquired sensibility in environmental issues as well as the increasing interest in and concern for reliability, dependability, and safety fulfillments due to a common worldwide understanding and social and political commitments, and, in particular, the fundamental business rule of costs reduction, have ensured the success of standby systems in several technological areas.

This article provides an overview of the concepts related to standby systems, mainly focusing on technological contexts. In particular, the discussion is developed from the reliability perspective, investigating some specific aspects of standby systems. A characterization of the concept of standby and mathematical elements for modeling the standby behavior in terms of reliability are provided but specific configuration and optimization of standby systems (standby redundancy) are beyond the scope of the article.
Systems in Series
Authors: Agustin Marcus
Published: June 2010

This article will consider the reliability of a system in series. Interest is on finding the system reliability when the failure of each component depends on the length of time that the component is observed. Exponentially distributed failure times as well as Pareto failure times will be considered.
The

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s

Queue
Authors: Kharoufeh Jeffrey P.
Published: June 2010

This article describes the
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s
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queueing system, also known as the
Erlang loss model
. Customers arrive to this stochastic service system according to a homogeneous Poisson process and request service from one of
s
parallel servers (
s
 ≥ 1). The service times are assumed to be independent and identically distributed with a finite mean. Because there is no waiting space in the system, arriving customers who find all
s
servers busy are lost. Summarized herein are the primary operating characteristics of the
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G
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s
/
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system, namely, the steady‐state probability distribution of the number of occupied servers and the steady‐state blocking probability (the Erlang B formula). Also summarized is the closely related delay probability (the Erlang C formula) for systems with unlimited waiting space. Some computational issues related to the Erlang B and C formulae are also discussed.
Fire Department Deployment And Service Analysis
Authors: Hall John R.
Published: June 2010

Within the OR community, issues of fire department deployment are analyzed using modified queueing and facility location models, based on the competition between time lines for department response and fire development. Within the fire service community, analysis, as part of certification protocols, uses planning models that are less quantitative but could be useful if combined with the OR approaches.
Operations Research Society of
T
aiwan
Authors: Luh Hsing
Published: June 2010

Operations Research Society of Taiwan was organized and established in 2003 to provide more services for OR professions, as well as academia and industry. Its mission includes promoting the advancement and practice of OR in Taiwan, boosting worldwide recognition for the profession and launching new publications. International Journal of Operations Research (IJOR), as the institutional journal for global professionals, both stimulating reading and serving as a source for practitioners
Iron‐Catalyzed Oxidative Mono‐ and Bis‐Phosphonation of N,N‐Dialkylanilines
Authors: Han Wei , Mayer Peter , Ofial Armin R.
Published: June 2010

The dehydrogenative α‐phosphonation of substituted N,N‐dialkylanilines by dialkyl H‐phosphonates was achieved under mild conditions by using environmentally benign iron(II) chloride as catalyst and tert‐butyl hydroperoxide as oxidant. The reaction proceeded in the presence of electron‐donating (methoxy, methyl, benzyl) and electron‐withdrawing ring‐substitutents (bromo, carbonyl, carboxyl, m‐nitro) in moderate to good yields. The X‐ray crystal structure of N‐(5,5‐dimethyl‐2‐oxo‐2λ5‐[1,3,2]dioxaphosphinan‐2‐yl‐methyl)‐N‐methyl‐p‐toluidine was determined. Bis‐(4‐(dimethylamino)phenyl)methane and bis‐4,4′‐(dimethylamino)benzophenone underwent bisphosphonation selectively by respective monophosphonation at the remote dimethylamino groups. Furthermore, the use of excess dialkyl H‐phosphonate and oxidant allowed us to functionalize both methyl groups of N(CH3)2 in N,N‐dimethyl‐p‐toluidine and N,N‐dimethylaminomesidine, respectively, to obtain α,α′‐bisphosphonatoamines in high yield.
New aqueous base developable photoresist for lithographic printing plates applications
Authors: El‐Demerdash A. M. , Sadik W. A.
Published: June 2010

Negative photoresists are materials that become insoluble in developing solution when exposed to optical radiation. This work describes the production of simple negative‐working resists, demonstrating aqueous development, for potential printing plate applications. The copolymers comprised glycidyl methacrylate (GMA) and acrylic acid (AA) via free‐radical solution polymerization in methyl ethyl ketone as a solvent using azobisisobutyronitrile as initiator at 60°C. Characterization of the copolymers prepared was carried out via IR, 1H‐NMR, and thermal analysis techniques. The copolymers of GMA/AA were successfully prepared over a wide range of composition. It was found that the copolymer containing 15 mol % of AA unit in the feed was developed with NaOH on copper plate rather than zinc plate and crosslinked in the presence of photogenerated acid (PAG) caused by acid‐initiated ring‐opening polymerization of pendant epoxide groups. Exposure of the resist films to UV radiation at λmax = 365 nm results in the generation of acid, and the subsequent baking process at 80°C for 1 min promotes the diffusion of the PAG, which initiates the cationic crosslinking of the epoxide rings. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
A study on the colloidal nature of urea‐formaldehyde resins and its relation with adhesive performance
Authors: Ferra João M. M. , Mendes Adélio M. , Costa Mário Rui N. , Carvalho Luisa H. , Magalhães Fernão D.
Published: June 2010

Urea‐formaldehyde (UF) resins present a swollen colloidal phase dispersed within a continuous water phase containing soluble oligomers. The main goal of the present investigation is to clarify the physical and chemical nature of those two phases and elucidate their impact on the bonding process. Optical and electronic microscopy has provided information on the morphology of the colloidal phase, showing primary particles and particle agglomerates. Mechanisms are suggested for the colloidal stabilization and dilution‐induced flocculation. Three commercial UF resins with different F/U molar ratios were studied using particle size distribution (PSD) analysis. The results showed the influence of the resin's degree of condensation and the aging status on the size of the colloidal structures. Gel permeation chromatography analysis was performed on samples of different resins and of the respective continuous and dispersed phases, separated by centrifugation. The quantified fraction of insoluble molecular aggregates present in the chromatograms was related to the resins synthesis conditions and age. Differential scanning calorimetry and tensile shear strength tests were performed to evaluate the reactivity and adhesive performance of each phase. It is suggested that the colloidal phase acts as a reactive filler at the wood joint interfaces, contributing for the resins bonding performance. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Kinetic modeling of esterification of cardanol‐based epoxy resin in the presence of triphenylphosphine for producing vinyl ester resin: Mechanistic rate equation
Authors: Sultania Minakshi , Rai J. S. P. , Srivastava Deepak
Published: June 2010

In this study, cardanol‐based epoxidized novolac resins and methacrylic acid were used to produce cardanol‐based epoxidised novolac vinyl ester resins. The reactions were conducted under nonstoichiometric condition using triphenylphosphine as catalyst in the temperature range of 80–100°C with an interval of 5°C. The first‐order rate equation and mechanism based rate equation were examined. Parameters were evaluated by least square method. A comparison of mechnism based rate equation and experimental data showed an excellent agreement. Finally, Arrhenius equation and activation energy were presented. The specific rate constants, based on linear regression analysis, were found to obey Arrhenius equation. The values of activation energy, frequency factor, enthalpy, entropy, and free energy of the reaction revealed that the reaction was spontaneous and irreversible and produced a highly activated complex. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Resin‐V: Synthesis and physicochemical studies of a biphenol–guanidine–formaldehyde terpolymer resin
Authors: Jadhao Manjusha M. , Kumar Sandeep , Paliwal L. J. , Bhave N. S. , Alam Sarfaraz
Published: June 2010

A terpolymer resin was synthesized by the condensation of 2,2′‐dihydroxybiphenyl with guanidine and formaldehyde in the presence of 2M HCl as a catalyst. The resin obtained was characterized on the basis of elemental analysis, infrared spectroscopy, NMR spectroscopy, ultraviolet–visible spectroscopy, and thermogravimetric analysis/differential thermal analysis. The number‐average molecular weight was determined by nonaqueous conductometric titration. A thermal study of the resin was carried out to determine its mode of decomposition, activation energy, order of reaction, frequency factor, entropy change, free energy, and apparent entropy change. The Freeman–Carroll and Sharp–Wentworth methods were applied for the calculation of the kinetic parameters, and the data from the Freeman–Carroll method were used to determine various thermodynamic parameters. The chelation ion‐exchange properties of this resin were studied for Fe3+, Cu2+, Ni2+, Co2+, Zn2+, Cd2+, and Pb2+ ions. A batch equilibrium method was used in the study of the selectivity of the metal‐ion uptake that involved the measurements of the distribution of a given metal ion between the polymer sample and a solution containing the metal ion. The study was carried out over a wide pH range and in media of various ionic strengths. The terpolymer showed a higher selectivity for Fe3+ ions than for the other metal ions in this study. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Synthesis of polymorpholine‐2,5‐dione‐block‐polylactide by two‐step anionic ring‐opening polymerization
Authors: Yongzhen Li , Jidong He , Guozhen Cui , Weina He , Zheng Peng
Published: June 2010

Polymorpholine‐2,5‐dione‐block‐polylactide (PMD‐b‐PLA) was synthesized via two‐step anionic ring‐opening polymerization at room temperature. First step of ring‐opening polymerization was the ring‐opening of morpholine‐2,5‐dione (MD). It was carried out in an airtight and dry polymerization tube using potassium ethoxide/THF (0.2M/L) as an initiator for 90 min. Then lactide was ring‐opened in THF solution by the potassium alcoholate of PMD. From the FTIR of the copolymer, we can find all the peaks in PLA and PMD. The 1H‐NMR of copolymer gave us a proof to the principle of the anionic ring‐opening polymerization and the fraction of PMD in the copolymer was calculated as 86.3%. DSC analysis of copolymer indicated that it was a copolymer with one Tg (63.6°C) and two Tms (155.6 and 171.4°C) instead of a mixture of PMD and PLA. The yields of the PMD and the copolymer were 32 and 26%, respectively. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Alginate‐based biodegradable superabsorbents as candidates for diclofenac sodium delivery systems
Authors: Pourjavadi A. , Zeidabadi F. , Barzegar Sh.
Published: June 2010

Novel types of highly swelling hydrogels were prepared by grafting crosslinked polyacrylamide‐co‐poly‐2‐acrylamido‐2‐methylpropane sulfonic acid (PAAm‐co‐PAMPS) chains onto sodium alginate (Na‐Alg) through a free radical polymerization method. The superabsorbent formation was confirmed by Fourier transform infrared spectroscopic (FTIR). The controlled release behavior of diclofenac sodium (DS) from superabsorbent polymer was factinvestigated, and shown that the release profiles of DS from superabsorbent polymer were slow in simulated gastric fluid (SGF, pH 1.2) over 3 h, but nearly all of the initial drug content was released in simulated intestinal fluid (SIF, pH 7.4) within 21 h after changing media. Overall the results demonstrated that biodegradable superabsorbent could successfully deliver a drug to the intestine without losing the drug in the stomach, and could be potential candidates as an orally administrated drug delivery system. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Bioinduced changes in the colored nitrocellulose‐coated cellophane films, induced by the Shewanella J18 143 strain
Authors: Farajollahi Sanaz , Marshall Colin , Guthrie James T.
Published: June 2010

Two types of the nitrocellulose (NC)‐coated cellophane films, denoted 335 MS films (uncolored) and 335 MSC films (dyed with C.I. Direct Red 81), were incubated with Shewanella J18 143 for a period of 1 month at 50°C. The colored films were decolorized by Shewanella strain throughout this process. Changes in the NC coating of the films were studied by FTIR analysis, by determination of the surface wettability, and by ESEM evaluations. The colored films that were exposed to the Shewanella culture and decolorized, lost a significant amount of nitrate groups and became enriched in the hydroxyl group content. Moreover, the critical surface tension of the colored NC‐coated cellophane films increased, from 18.7 mN/m, for the original films, to 33.1 mN/m, for the film that was treated by the Shewanella strain. Unlike the colored film, the uncolored NC‐coated films did not give any considerable changes in their NC coating when exposed to the Shewanella culture, for the same time period. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Polyaniline/carbon black composite as Pt electrocatalyst supports for methanol oxidation: Synthesis and characterization
Authors: Qu Bo , Xu Yiting , Deng Yuanming , Peng Xiaoliang , Chen Jiangfeng , Dai Lizong
Published: June 2010

Core/shell composites of polyaniline (PANI) and Vulcan XC‐72 Carbon (VC), in which the carbon represents the core and PANI forms the shell, were synthesized by in situ chemical oxidation polymerization. Platinum (Pt) particles were then deposited on the PANI/VC composites by chemical reduction method. The highest conductivity is obtained when a mass ratio of PANI/VC equals to 0.28, as proved by Fourier transform infrared spectra. And it is also proved that there are some reactions happened between PANI and VC. Scanning electron microscope, transmission electron microscope, and X‐ray diffraction measurements were performed to analyze their structure and surface morphology. It has been observed that the Pt particles are smaller in size and more uniformly distributed on these composite supports than on pure VC supports, considered as a reference. Methanol oxidation performed on the electrode modified by such a composite catalyst has been measured by cyclic voltammogram focusing on the attenuation of methanol oxidation current after 200 cycles. The attenuation degree for the composite catalyst is only one‐third of the one measured for a simple Pt/VC catalyst. It is proved that the composite catalyst better resist carbon monoxide poisoning in comparison with the Pt/VC catalyst, which may be due to the synergetic effects between the composite support and the Pt catalyst. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Fabrication and properties of crosslinked poly(propylene carbonate maleate) gel polymer electrolyte for lithium‐ion battery
Authors: Yu Xiaoyuan , Xiao Min , Wang Shuangjin , Han Dongmei , Meng Yuezhong
Published: June 2010

The poly(propylene carbonate maleate) (PPCMA) was synthesized by the terpolymerization of carbon dioxide, propylene oxide, and maleic anhydride. The PPCMA polymer can be readily crosslinked using dicumyl peroxide (DCP) as crosslinking agent and then actived by absorbing liquid electrolyte to fabricate a novel PPCMA gel polymer electrolyte for lithium‐ion battery. The thermal performance, electrolyte uptake, swelling ratio, ionic conductivity, and lithium ion transference number of the crosslinked PPCMA were then investigated. The results show that the Tg and the thermal stability increase, but the absorbing and swelling rates decrease with increasing DCP amount. The ionic conductivity of the PPCMA gel polymer electrolyte firstly increases and then decreases with increasing DCP ratio. The ionic conductivity of the PPCMA gel polymer electrolyte with 1.2 wt % of DCP reaches the maximum value of 8.43 × 10−3 S cm−1 at room temperature and 1.42 × 10−2 S cm−1 at 50°C. The lithium ion transference number of PPCMA gel polymer electrolyte is 0.42. The charge/discharge tests of the Li/PPCMA GPE/LiNi1/3Co1/3Mn1/3O2 cell were evaluated at a current rate of 0.1C and in voltage range of 2.8–4.2 V at room temperature. The results show that the initial discharge capacity of Li/PPCMA GPE/LiNi1/3Co1/3Mn1/3 O2 cell is 115.3 mAh g−1. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Morphology‐Dependent Gas‐Sensing Properties of ZnO Nanostructures for Chlorophenol
Authors: Li Zhipeng , Pan Wenxiao , Zhang Dongju , Zhan Jinhua
Published: June 2010

The crystal‐plane effect of ZnO nanostructures on the toxic 2‐chlorophenol gas‐sensing properties was examined. Three kinds of single‐crystalline ZnO nanostructures including nanoawls, nanorods, and nanodisks were synthesized by using different capping agents via simple hydrothermal routes. Different crystal surfaces were expected for these ZnO nanostructures. The sensing tests results showed that ZnO nanodisks exhibited the greatest sensitivity for the detection of toxic 2‐chlorophenol. The results revealed that the sensitivity of these ZnO samples was heavily dependent on their exposed surfaces. The polar (0001) planes were most reactive and could be considered as the critical factor for the gas‐sensing performance. In addition, calculations using density functional theory were employed to simulate the gas‐sensing reaction involving surface reconstruction and charge transfer both of which result in the change of electronic conductance of ZnO.
CH Bond Activation/Borylation of Furans and Thiophenes Catalyzed by a Half‐Sandwich Iron N‐Heterocyclic Carbene Complex
Authors: Hatanaka Tsubasa , Ohki Yasuhiro , Tatsumi Kazuyuki
Published: June 2010

A coordinatively unsaturated iron‐methyl complex having an N‐heterocyclic carbene ligand, [Cp*Fe(LMe)Me] (1; Cp*=η5‐C5Me5, LMe=1,3,4,5‐tetramethyl‐imidazol‐2‐ylidene), is synthesized from the reaction of [Cp*Fe(TMEDA)Cl] (TMEDA=N,N,N′,N′‐tetramethylethylenediamine) with methyllithium and LMe. Complex 1 is found to activate the CH bonds of furan, thiophene, and benzene, giving rise to aryl complexes, [Cp*Fe(LMe)(aryl)] (aryl=2‐furyl (2), 2‐thienyl (3), phenyl (4)). The CH bond cleavage reactions are applied to the dehydrogenative coupling of furans or thiophenes with pinacolborane (HBpin) in the presence of tert‐butylethylene and a catalytic amount of 1 (10 mol % to HBpin). The borylation of the furan/thiophene or 2‐substituted furans/thiophenes occurs exclusively at the 2‐ or 5‐positions, respectively, whereas that of 3‐substituted furans/thiophenes takes place mainly at the 5‐position and gives a mixture of regioisomers. Treatment of 2 with 2 equiv of HBpin results in the quantitative formation of 2‐boryl‐furan and the borohydride complex [Cp*Fe(LMe)(H2Bpin)] (5). Heating a solution of 5 in the presence of tert‐butylethylene led to the formation of an alkyl complex [Cp*Fe(LMe)CH2CH2tBu] (6), which was found to cleave the CH bond of furan to produce 2. On the basis of these results, a possible catalytic cycle is proposed.
Cyclam‐Cored Dendrimers Appended with Four Dendrons of Two Different Types: Intradendrimer Energy Transfer
Authors: Bergamini Giacomo , Sottilotta Angela , Maestri Mauro , Ceroni Paola , Vögtle Fritz
Published: June 2010

We have synthesized two cyclam‐cored dendrimers appended with dendrons of two different types by proper protection/deprotection of the cyclam unit. The resulting dendrimers contain six naphthyl and two dansyl units (N6 D2) or two dansyl and six naphthyl units (N2 D6) at the periphery. Their photophysical properties have been compared to those of a dendrimer containing 8 dansyl units (D8) and a previously investigated dendrimer containing 8 naphthyl units (N8). The absorption spectra are those expected on the basis of the number of chromophores, demonstrating that no ground state interaction takes place. The emission spectra of N2 D6 and N6 D2 show naphthalene localized and naphthalene excimer emission similar to those observed in the case of N8, together with a much stronger dansyl emission with maximum at 525 nm. Addition of CF3SO3H to dendrimer solutions in CH3CN/CH2Cl2 1:1 (v/v) leads to protonation of the aliphatic amine units of the cyclam core at first and then of the aromatic amine of each dansyl chromophores. Cyclam can be diprotonated and this affects dansyl absorption and, most significantly, emission bands by a charge perturbation effect. Each dansyl unit is independently protonated in both dendrimers. The most interesting photophysical feature of these heterofunctionalized cyclam‐cored dendrimers is the occurrence of an intradendrimer photoinduced energy transfer from naphthyl to dansyl chromophores of two different dendrons (interdendron mechanism). The efficiency of this process is 50 % for N6 D2 and it can be increased up to 75 % upon protonation of the cyclam core and formation of N6 D2(2H+). This arises from the fact that protonation of the amine units of the cyclam prevents formation of exciplexes upon naphthyl excitation, thus shutting down one of the deactivation processes of the fluorescent naphthyl excited state.
New delay‐dependent robust stability of discrete singular systems with time‐varying delay
Authors: Du Zhaoping , Zhang Qingling , Liu Lili
Published: June 2010

The robust stability of discrete singular systems with time‐varying delay is considered. New delay‐dependent stability criteria are proposed, which are dependent on the minimum and maximum delay bounds. A strict delay‐dependent linear matrix inequality (LMI) condition is obtained for a discrete singular time‐varying system to be regular, causal and stable. The result on robust stabilization of uncertain discrete singular time‐varying systems is also obtained and expressed in terms of LMIs. Numerical examples are given to demonstrate the applicability of the proposed method. Copyright © 2010 John Wiley and Sons Asia Pte Ltd and Chinese Automatic Control Society
A systems‐based approach to investigate dose‐ and time‐dependent methylmercury‐induced gene expression response in C57BL/6 mouse embryos undergoing neurulation
Authors: Robinson Joshua F. , Guerrette Zachariah , Yu Xiaozhong , Hong Sungwoo , Faustman Elaine M.
Published: June 2010

BACKGROUND: Aberrations during neurulation due to genetic and/or environmental factors underlie a variety of adverse developmental outcomes, including neural tube defects (NTDs). Methylmercury (MeHg) is a developmental neurotoxicant and teratogen that perturbs a wide range of biological processes/pathways in animal models, including those involved in early gestation (e.g., cell cycle, cell differentiation). Yet, the relationship between these MeHg‐linked effects and changes in gestational development remains unresolved. Specifically, current information lacks mechanistic comparisons across dose or time for MeHg exposure during neurulation. These detailed investigations are crucial for identifying sensitive indicators of toxicity and for risk assessment applications. METHODS: Using a systems‐based toxicogenomic approach, we examined dose‐ and time‐dependent effects of MeHg on gene expression in C57BL/6 mouse embryos during cranial neural tube closure, assessing for significantly altered genes and associated Gene Ontology (GO) biological processes. Using the GO‐based application GO‐Quant, we quantitatively assessed dose‐ and time‐dependent effects on gene expression within enriched GO biological processes impacted by MeHg. RESULTS: We observed MeHg to significantly alter expression of 883 genes, including several genes (e.g., Vangl2, Celsr1, Ptk7, Twist, Tcf7) previously characterized to be crucial for neural tube development. Significantly altered genes were associated with development cell adhesion, cell cycle, and cell differentiation–related GO biological processes. CONCLUSIONS: Our results suggest that MeHg‐induced impacts within these biological processes during gestational development may underlie MeHg‐induced teratogenic and neurodevelopmental toxicity outcomes. Birth Defects Res (Part B) 89:188–200, 2010. © 2010 Wiley‐Liss, Inc.
Embryo‐fetal developmental toxicity of figitumumab, an anti‐insulin‐like growth factor‐1 receptor (IGF‐1R) monoclonal antibody, in cynomolgus monkeys
Authors: Bowman Christopher J. , Chmielewski Gary , Oneda Satoru , Finco Deborah , Boucher Mary A. , Todd Marque
Published: June 2010

BACKGROUND: Insulin‐like growth factor (IGF) signaling has been linked to tumor cell survival and tumorigenesis. The anti‐IGF‐1 receptor monoclonal antibody, figitumumab, has been developed as an anti‐cancer therapeutic. As part of the safety evaluation, an embryo‐fetal developmental toxicity study was conducted in the cynomolgus monkey. METHODS: Figitumumab was administered once weekly intravenously at a dose of 5, 15, or 100 mg/kg during the period of major organogenesis (gestation days [GD] 20–48) with scheduled cesarean section around GD100. Maternal endpoints included clinical observations, food consumption, body weights, hematology, placental weights, toxicokinetics, and immunogenicity. Fetal evaluations included viability; body weights; external, visceral, and skeletal examination (and measurements); drug exposure; and immunogenicity. RESULTS: There was a dose‐dependent increase in embryo‐fetal loss in the presence of decreased maternal food consumption and slight reduction in body weight. Figitumumab‐related embryo‐fetal developmental toxicity was observed as growth retardation exhibited by reduced fetal body weights at all doses with corresponding developmental delays in morphology. Treatment‐related fetal structural malformations were also observed in the mid‐ and high‐dose groups. CONCLUSIONS: Maternal figitumumab dosing only during the period of organogenesis was associated with pregnancy loss and fetal growth deficits; both considered consistent with inhibition of IGF signaling. Fetal malformations were also observed, and were considered secondary to altered placental function and/or reduced fetal growth; however, direct inhibition of IGF signaling in the conceptus cannot be ruled out. This appears to be the first report of treatment‐related fetal anomalies with a monoclonal antibody when administered only during the period of major organogenesis. Birth Defects Res (Part B) 89:326–338, 2010.© 2010 Wiley‐Liss, Inc.
In silico genome‐scale metabolic analysis of Pseudomonas putida KT2440 for polyhydroxyalkanoate synthesis, degradation of aromatics and anaerobic survival
Authors: Sohn Seung Bum , Kim Tae Yong , Park Jong Myoung , Lee Sang Yup
Published: June 2010

Genome‐scale metabolic models have been appearing with increasing frequency and have been employed in a wide range of biotechnological applications as well as in biological studies. With the metabolic model as a platform, engineering strategies have become more systematic and focused, unlike the random shotgun approach used in the past. Here we present the genome‐scale metabolic model of the versatile Gram‐negative bacterium Pseudomonas putida, which has gained widespread interest for various biotechnological applications. With the construction of the genome‐scale metabolic model of P. putida KT2440, PpuMBEL1071, we investigated various characteristics of P. putida, such as its capacity for synthesizing polyhydroxyalkanoates (PHA) and degrading aromatics. Although P. putida has been characterized as a strict aerobic bacterium, the physiological characteristics required to achieve anaerobic survival were investigated. Through analysis of PpuMBEL1071, extended survival of P. putida under anaerobic stress was achieved by introducing the ackA gene from Pseudomonas aeruginosa and Escherichia coli.
Effect of 2‐hydroxypropyl‐β‐cyclodextrin on thermal stability and aggregation of glycogen phosphorylase b from rabbit skeletal muscle
Authors: Eronina Tatyana B. , Chebotareva Natalia A. , Kleymenov Sergey Yu. , Roman Svetlana G. , Makeeva Valentina F. , Kurganov Boris I.
Published: June 2010

The study of the kinetics of thermal aggregation of glycogen phosphorylase b (Phb) from rabbit skeletal muscles by dynamic light scattering at 48°C showed that 2‐hydroxypropyl‐β‐cyclodextrin (HP‐β‐CD) accelerated the aggregation process and induced the formation of the larger protein aggregates. The reason of the accelerating effect of HP‐β‐CD is destabilization of the protein molecule under action of HP‐β‐CD. This conclusion was supported by the data on differential scanning calorimetry and the kinetic data on thermal inactivation of Phb. It is assumed that destabilization of the Phb molecule is due to preferential binding of HP‐β‐CD to intermediates of protein unfolding in comparison with the original native state. The conclusion regarding the ability of the native Phb for binding of HP‐β‐CD was substantiated by the data on the enzyme inhibition by HP‐β‐CD. © 2010 Wiley Periodicals, Inc. Biopolymers 93: 986–993, 2010.
Glioblastoma cancer stem cells: heterogeneity, microenvironment and related therapeutic strategies
Authors: Denysenko Tetyana , Gennero Luisa , Roos Maria Augusta , Melcarne Antonio , Juenemann Carola , Faccani Giuliano , Morra Isabella , Cavallo Giovanni , Reguzzi Stefano , Pescarmona Gianpiero , Ponzetto Antonio
Published: June 2010

Glioblastoma Multiforme (GBM) is an incurable malignancy. GBM patients have a short life expectancy despite aggressive therapeutic approaches based on surgical resection followed by adjuvant radiotherapy and concomitant chemotherapy. Glioblastoma growth is characterized by a high motility of tumour cells, their resistance to both chemo/radio‐therapy, apoptosis inhibition leading to failure of conventional therapy. Cancer Stem Cells (CSCs), identified in GBM as well as in many other cancer types, express the membrane antigen prominin‐1 (namely CD133). These cells and normal Neural Stem Cells (NSC) share surface markers and properties, i.e. are able to self‐renew and differentiate into multiple cell types. Stem cell self‐renewal depends on microenvironmental cues, including Extracellular Matrix (ECM) composition and cell types. Therefore, the role of microenvironment needs to be evaluated to clarify its importance in tumour initiation and progression through CSCs. The specific microenvironment of CSCs was found to mimic in part the vascular niche of normal stem cells. The targeting of GMB CSCs may represent a powerful treatment approach. Lastly, in GBM patients cancer‐initiating cells contribute to the profound immune suppression that in turn correlated with CSCs STAT3 (CD133 + ). Further studies of microenvironment are needed to better understand the origin of GMB/GBM CSCs and its immunosuppressive properties. Copyright © 2010 John Wiley & Sons, Ltd.
Catalytic Polymer Membranes under Forcing Conditions: Reduction of Nitrobenzene by CO/H2O Catalyzed by Ruthenium Bis(arylimino)acenaphthene Complexes
Authors: Viganò Marta , Ragaini Fabio , Buonomenna Maria Giovanna , Lariccia Roberta , Caselli Alessandro , Gallo Emma , Cenini Sergio , Jansen Johannes Carolus , Drioli Enrico
Published: June 2010

Polymeric membranes embedding a metal complex have been previously employed as reusable catalysts under relatively mild conditions. Herein, the first example of a polymeric catalytic membrane employed under very forcing conditions (160 °C and 5 MPa CO) is reported. The reaction investigated was the reduction of nitrobenzene to aniline by CO/H2O, catalyzed by ruthenium bis(arylimino)acenaphthene (Ar‐BIAN) complexes. To better retain the complex in the membrane, a modified ligand, with long alkyl chains in the para positions of the aryl rings, was prepared. Among several polymers tested as membranes, PEEK‐WC, a modified polyether ether ketone, gave the best results. Attempts to embed the ligand only in the membrane and functionalize it with the metal later, analogously to the in situ generation of the active species practiced for the homogeneous system, failed and it was necessary to synthesize new complexes that could be reduced under the reaction conditions. Best results were obtained using [Ru(Ar‐BIAN)(CO)2Cl2]+Et3N. During the reaction, the complex is transformed into a mixture of [Ru3(CO)12] and a reduced form of the ligand, Ar‐BIANH2. The latter was independently prepared and shown to be able to reduce nitrobenzene even in the absence of any metal. A new kind of support was designed to allow the placing of the membrane in a stirred autoclave. Using only water as solvent, no metal or ligand leaching was detected and several recycles were performed. All employed membranes were thoroughly characterized by different techniques.
Characterization of Synthetic Iron Oxides and their Performance as Support for Au Catalysts.
Authors: Centomo Paolo , Zecca Marco , Di Noto Vito , Lavina Sandra , Bombi G. Giorgio , Nodari Luca , Salviulo Gabriella , Ingoglia Roberta , Milone Candida , Galvagno Signorino , Corain Benedetto
Published: June 2010

Gold(0) catalysts supported on ferric oxide are effective catalysts, and so far, the only heterogeneous ones known for the regioselective hydrogenation of α,β‐unsaturated ketones to the corresponding α,β‐unsaturated secondary alcohols. A set of ferric oxide samples, synthesized under strictly controlled conditions and thoroughly characterized (X‐ray powder diffraction, Mössbauer spectroscopy, micro‐Raman spectroscopy, transmission electron microscopy, temperature‐programmed reduction), were employed as supports of gold(0) catalysts for this reaction. The activity and selectivity of the catalysts changed in the same direction from one catalyst to another; increasing fractions of nanostructured ferric oxide phases in the support (with nanoparticles size lower than 10 nm) increased both. With a 4 % gold catalyst supported on the ferric oxide sample containing the highest proportion of nanostructured matter, we achieved a selectivity of 66 % towards the unsaturated alcohol at more than 90 % conversion in the hydrogenation of benzalacetone (ethanol, 60 °C, 103 kPa), which is one of the best performances ever reported for this reaction.
Making MetalCarbon Nitride Heterojunctions for Improved Photocatalytic Hydrogen Evolution with Visible Light
Authors: Di Yan , Wang Xinchen , Thomas Arne , Antonietti Markus
Published: June 2010

Gold nanoparticles were deposited on the surface of a g‐C3N4 semiconductor by deposition–precipitation, photodeposition, and impregnation methods to make metal–semiconductor junctions for photocatalytic hydrogen evolution from aqueous solution containing an electron donor with visible light illumination. The samples were characterized by X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), UV/Vis, and transmission electron microscopy (TEM). Results show that the Au/g‐C3N4 prepared by the deposition–precipitation method possessed the best photocatalytic activity, due to the formation of tight Au–semiconductor heterojunctions effectively promoting the transfer of charge from light‐excited g‐C3N4. Surface modification of the Au/g‐C3N4 with a second metal further improved the activity of the photocatalytic system, which was explained by simultaneous optimization of electron transfer by the gold and chemical reactivity by the secondary metal.
Scission of Carbon Monoxide Using TaR3, R=(N(tBu)Ph) or OSi(tBu)3: A DFT Investigation
Authors: Brookes Nigel J. , Ariafard Alireza , Stranger Robert , Yates Brian F.
Published: June 2010

The experimentally known reduction of carbon monoxide using a 3‐coordinate [Ta(silox)3] (silox=OSi(tBu)3) complex initially forms a ketenylidene [(silox)3TaCCO], followed by a dicarbide [(silox)3TaCCTa(silox)3] structure. The mechanism for this intricate reaction has finally been revealed by using density functional theory, and importantly a likely structure for the previously unknown intermediate [(silox)3TaCO]2 has been identified. The analysis of the reaction pathway and the numerous intermediates has also uncovered an interesting pattern that results in CO cleavage, that being scission from a structure of the general form [(silox)3TaCnO] in which n is even. When n is odd, cleavage cannot occur. The mechanism has been extended to consider the effect of altering both the metal species and the ligand environment. Specifically, we predict that introducing electron‐rich metals to the right of Ta in the periodic table to create mixed‐metal dinuclear intermediates shows great promise, as does the ligand environment of the Cummins‐style 3‐coordinate amide structure. This latter environment has the added complexity of improved electron donation from amide rotation that can significantly increase the reaction exothermicity.
Lanthanide(III) Complexes of 4,10‐Bis(phosphonomethyl)‐1,4,7,10‐tetraazacyclododecane‐1,7‐diacetic acid (trans‐H6do2a2p) in Solution and in the Solid State: Structural Studies Along the Series
Authors: Campello M. Paula C. , Lacerda Sara , Santos Isabel C. , Pereira Giovannia A. , Geraldes Carlos F. G. C. , Kotek Jan , Hermann Petr , Vaněk Jakub , Lubal Přemysl , Kubíček Vojtěch , Tóth Éva , Santos Isabel
Published: June 2010

Complexes of 4,10‐bis(phosphonomethyl)‐1,4,7,10‐tetraazacyclododecane‐1,7‐diacetic acid (trans‐H6do2a2p, H6L) with transition metal and lanthanide(III) ions were investigated. The stability constant values of the divalent and trivalent metal‐ion complexes are between the corresponding values of H4dota and H8dotp complexes, as a consequence of the ligand basicity. The solid‐state structures of the ligand and of nine lanthanide(III) complexes were determined by X‐ray diffraction. All the complexes are present as twisted‐square‐antiprismatic isomers and their structures can be divided into two series. The first one involves nona‐coordinated complexes of the large lanthanide(III) ions (Ce, Nd, Sm) with a coordinated water molecule. In the series of Sm, Eu, Tb, Dy, Er, Yb, the complexes are octa‐coordinated only by the ligand donor atoms and their coordination cages are more irregular. The formation kinetics and the acid‐assisted dissociation of several LnIII–H6L complexes were investigated at different temperatures and compared with analogous data for complexes of other dota‐like ligands. The [Ce(L)(H2O)]3− complex is the most kinetically inert among complexes of the investigated lanthanide(III) ions (Ce, Eu, Gd, Yb). Among mixed phosphonate–acetate dota analogues, kinetic inertness of the cerium(III) complexes is increased with a higher number of phosphonate arms in the ligand, whereas the opposite is true for europium(III) complexes. According to the 1H NMR spectroscopic pseudo‐contact shifts for the Ce–Eu and Tb–Yb series, the solution structures of the complexes reflect the structures of the [Ce(HL)(H2O)]2− and [Yb(HL)]2− anions, respectively, found in the solid state. However, these solution NMR spectroscopic studies showed that there is no unambiguous relation between 31P/1H lanthanide‐induced shift (LIS) values and coordination of water in the complexes; the values rather express a relative position of the central ions between the N4 and O4 planes.
ChemInform Abstract: Fe2P2O7(H2O)2.
Authors: Giesber III Henry G. , Korzenski Michael B. , Pennington William T. , Kolis Joseph W.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Spin‐Reorientation and Anisotropy of the Magnetization in Single Crystalline Ho2Co15Si2.
Authors: Tegus O. , Brueck E. , Menovsky A. A. , de Boer F. R. , Buschow K. H. J.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: The Electrochemistry of C60Ph5Cl: A Very Special Fullerene Derivative.
Authors: Birkett Paul R. , Taylor Roger , Wachter Norbert K. , Carano Maurizio , Paolucci Francesco , Roffia Sergio , Zerbetto Francesco
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Palladium‐Catalyzed Allylic Alkylation Using a Novel Chiral Imino‐Phosphine Ligand Derived from 1‐Mesitylethylamine.
Authors: Kohara Takehiro , Hashimoto Yukihiko , Saigo Kazuhiko
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Addition of Cyclic Ethers and Acetals to Ethyl 3,3‐Difluoro‐2‐methylpropenoate.
Authors: Bumgardner Carl L. , Burgess Jason P.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Radical Addition Reactions of Fluorinated Species. Part 8. Regioselectivity of Radical Additions to Perfluoroalkylethylenes and Quantum Chemical Calculations. Highly Selective Two‐Step Synthesis of 4‐(Perfluoroalkyl)butane‐1,2‐diols.
Authors: Cirkva Vladimir , Boehm Stanislav , Paleta Oldrich
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Chemoselective C—H Oxidation of Alcohols to Carbonyl Compounds with Iodosobenzene Catalyzed by (Salen)chromium Complex.
Authors: Adam Waldemar , Gelalcha Feyissa Gadissa , Saha‐Moeller Chantu R. , Stegmann Veit R.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Regioselective Synthesis and Acylation of Cyclic Bis‐(trimethylsiloxy)‐1,3‐dienes — New and Versatile 1,3‐Dianion Synthons.
Authors: Langer Peter , Schneider Toni
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Homo‐Coupling Reactions of Alkenyl‐ and Arylfluorosilanes Mediated by a Copper(I) Salt.
Authors: Nishihara Yasushi , Ikegashira Kazutaka , Toriyama Fumihiko , Mori Atsunori , Hiyama Tamejiro
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Efficient and Selective Protection of Aldehydes as Geminal Diacetates Using LiBr.
Authors: Kumar H. M. Sampath , Reddy B. V. Subba , Reddy P. Thirupathi , Yadav J. S.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: Facile Preparation of 1,1‐Diacetates from Aldehydes with Acetic Anhydride Catalyzed by TiO2/SO42‐ Solid Superacid.
Authors: Jin Tong‐Shou , Ma Yan‐Ran , Sun Xu , Liang Dan , Li Tong‐Shuang
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform Abstract: P(MeNCH2CH2)3N: An Efficient Catalyst for the Desilylation of tert‐Butyldimethylsilyl Ethers.
Authors: Yu Zhengkun , Verkade John G.
Published: June 2010

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.