bluuebunny/crossref_metadata_2025 huggingface dataset:
Efficient and robust three‐phase split computations
Authors: Haugen Kjetil B. , Firoozabadi Abbas , Sun Lixin
Published: October 2010

The combination of successive substitution and the Newton method provides a robust and efficient algorithm to solve the nonlinear isofugacity and mass balance equations for two‐phase split computations. The two‐phase Rachford–Rice equation may sometimes introduce complexity, but the Newton and bisection methods provide a robust solution algorithm. For three‐phase split calculations, the literature shows that the computed three‐phase region is smaller than measured data indicate. We suggest that an improved solution algorithm for the three‐phase Rachford–Rice equations can address the problem. Our proposal is to use a two‐dimensional bisection method to provide good initial guesses for the Newton algorithm used to solve the three‐phase Rachford–Rice equations. In this work, we present examples of various degree of complexity to demonstrate powerful features of the combined bisection‐Newton method in three‐phase split calculations. To the best of our knowledge, the use of the bisection method in two variables has not been used to solve the three‐phase Rachford–Rice equations in the past. © 2010 American Institute of Chemical Engineers AIChE J, 2011
Extraction of cottonseed oil using subcritical water technology
Authors: Abdelmoez Wael , Abdelfatah Rehab , Tayeb Aghareed , Yoshida Hiroyuki
Published: October 2010

This work represents the extraction of cottonseed oil using subcritical water. The extraction efficiencies of different range temperatures (180–280°C), having mean particle size range from 3 mm to less than 0.5 mm, water:seed ratios of 0.5:1, 1:1, and 2:1, and extraction times in the range of 5–60 min were all investigated. The composition of the extracted oil, using the subcritical water, was analyzed by gas‐liquid chromatography and compared with that extracted using traditional hexane extraction. The results showed that the optimum temperature, mean particle size, water:seed ratio, and extraction time were 270°C, <0.5 mm, 2:1, and 30 min, respectively. In addition the extracted oil was identical to that extracted using the traditional hexane method. © 2010 American Institute of Chemical Engineers AIChE J, 2011
Oxygen mass transport limitations at the cathode of polymer electrolyte membrane fuel cells
Authors: Benziger Jay , Kimball Erin , Mejia‐Ariza Raquel , Kevrekidis Ioannis
Published: October 2010

Oxygen transport across the cathode gas diffusion layer (GDL) in polymer electrolyte membrane (PEM) fuel cells was examined by varying the O2/N2 ratio and by varying the area of the GDL extending laterally from the gas flow channel under the bipolar plate (under the land). As the cathode is depleted of oxygen, the current density becomes limited by oxygen transport across the GDL. Oxygen depletion from O2/N2 mixtures limits catalyst utilization, especially under the land.The local current density with air fed PEM fuel cells falls to practically zero at lateral distances under the land more than 3 times the GDL thickness; on the other hand, catalyst utilization was not limited when the fuel cell cathode was fed with 100% oxygen. The ratio of GDL thickness to the extent of the land is thus critical to the effective utilization of the catalyst in an air fed PEM fuel cell. © 2010 American Institute of Chemical Engineers AIChE J, 2011
Effect of flow direction on the performance of radial flow catalytic reactors
Authors: Moustafa Tarek , Badr Sara , Hassan Mohamed , Abba Ibrahim A.
Published: October 2010

The effect of flow direction in radial flow catalytic reactors was studied using a reactor model construct. Inward and outward flows result in different performance depending on the reaction type and the underlying kinetics. For irreversible reaction with power law kinetics, inward flow results in higher conversion relative to outward flow for identical set of operating conditions. The trend reverses for reversible reactions, for both exothermic and endothermic types. For Langmuir‐Hinshelwood monotonic type reactions, however, inward flow is shown to be superior for both reversible and irreversible reactions. A typical industrial example for the endothermic catalytic dehydrogenation of ethylbenzene to styrene is used to directionally verify the predictions from our generic model. The results from our model predictions show that outward flow is favorable, in line with industrial practice. This study does reveal, however, that this relatively straightforward technique can be applied to gauge the superior flow direction depending on the type of reaction considered. Copyright © 2010 Curtin University of Technology and John Wiley & Sons, Ltd.
Effect of operating variables on the production of nanoparticles by stirred media milling
Authors: Pradeep P. R. , Pitchumani B.
Published: October 2010

This paper investigates the effect of major operating variables on the production of stable nanoparticle suspensions in an attritor mill, which can serve as guidelines for the selection of major operating variables for desired comminution. Experimental work has been carried out to study the effect of major operating variables, such as slurry solid mass fraction, grinding media size, density and pin tip velocity on the milling efficiency of silica. The effect of these major operating variables on the variation of width of product size distribution was studied using response surface methodology. Size reduction was found to increase with increasing value of slurry solid mass fraction, until it reached a maximum and then decreased. The use of grinding media of smaller diameter was found to cause higher rates of size reduction and narrower particle size distribution than the use of larger grinding media. Pin tip velocity was found to be an important parameter affecting comminution results. Size reduction was found to increase on the order of increasing pin tip velocity, until it reached a maximum and then decreased. Grinding media of higher density was found to be more effective for size reduction and production of a narrower product size distribution. The results suggest that these variables affect the energy required to achieve a given product size during nanomilling. Copyright © 2010 Curtin University of Technology and John Wiley & Sons, Ltd.
Mechanical properties and rheological behavior of poly(butylene terephthalate)/clay nanocomposites with different organoclays
Authors: Narkhede Jitendra S. , Shertukde Vikrant V.
Published: October 2010

Poly(butylene terephthalate)–clay nanocomposites with three different organically modified clays were prepared via melt blending in a twin‐screw extruder. Decyl triphenylphosphonium bromide, hexadecyl triphenylphosphonium bromide, and cetyl pyridinium chloride were used to modify the naturally occurring montmorillonite clay. The organically modified clays were characterized with X‐ray diffraction for the d001‐spacing and with thermogravimetric analysis to determine the thermal stability. The prepared nanocomposites were injection‐molded and examined for the dispersion quality of the clay, the mechanical properties, and the rheological behavior. The tensile strength of the nanocomposites increased with a 1% addition of clay; however, more clay decreased the tensile strength. Nanocomposites with finely dispersed clay platelets and nanocomposites with poorly dispersed clay platelets showed very different rheological behaviors. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Swelling, compression and tribological behaviors of bentonite‐modified polyacrylate‐type hydrogels
Authors: Korres S. , Sorochynska L. , Grishchuk S. , Karger‐Kocsis J.
Published: October 2010

Hydrogel was synthesized from acrylamide and 2‐acryloylamido‐2‐methylpropanesulfonic acid monomers (ratio: 50/50 wt %) and crosslinked with 0.25 wt % of methylene‐bisacrylamide. This hydrogel was also modified by adding 4 wt % of sodium bentonite (NB). Selected properties of the hydrogels with and without NB were investigated and compared. Their water uptake was measured gravimetrically; the compression and compression creep were assessed by dynamic‐mechanical and thermo‐mechanical analysis (DMA and TMA, respectively) techniques. The friction and wear of the hydrogels were determined in a shaft(metal)‐on‐plate(hydrogel) type testing configuration under water lubrication. The hydrogel was transparent and exhibited very high equilibrium water content (>99 wt %). The latter was less affected; however, the hydrogel became slightly more hazy after NB incorporation. The crosslink density of the hydrogels was deduced from swelling and compression tests and compared with the theoretical values. Modification by NB enhanced the ultimate compression strength and reduced the related compression strain. The compression creep response under both loading and deloading strongly depended on the level of the initial load. A very low friction coefficient (∼ 0.003) and a relatively high specific wear rate (∼ 0.05 mm3/N m) were registered under water lubricated sliding wear using a metallic counterpart with high surface roughness. Scanning electron microscopy combined with energy dispersive spectroscopy delivered additional information on the NB dispersion and surface structure of the hydrogels. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Preparation, crystallization behavior, and dynamic mechanical property of nanocomposites based on poly(vinylidene fluoride) and exfoliated graphite nanoplate
Authors: He Fuan , Fan Jintu , Lau Sienting , Chan Laiwa Helen
Published: October 2010

Nanocomposites based on poly(vinylidene fluoride) (PVDF) and exfoliated graphite nanoplate (xGnP) were prepared by solution precipitation method. The resulting nanocomposites were investigated with respect to their structure and properties by scanning electron microscopy (SEM), transmission electron microscopy (TEM), differential scanning calorimetry (DSC), wide‐angle X‐ray diffraction, and dynamic mechanical analysis. Both SEM and TEM examinations confirmed the good dispersion of xGnP in the PVDF matrix. The nonisothermal crystallization behavior of the PVDF/xGnP nanocomposites was studied using DSC technique at various cooling rates. The results indicated that the xGnPs in nanometer size might act as nucleating agents and accelerated the overall nonisothermal crystallization process. Meanwhile, the incorporation of xGnP significantly improved the storage modulus of the PVDF/xGnP nanocomposites. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Polypropylene‐dispersed domain as potential nucleating agent in PS and PMMA solid‐state foaming
Authors: Sharudin Rahida Wati , Nabil Abacha , Taki Kentaro , Ohshima Masahiro
Published: October 2010

The potential of using dispersive domains in a polymer blend as a bubble nucleating agent was investigated by exploiting its high dispersibility in a matrix polymer in the molten state and its immiscibility in the solid state. In this experiments, polypropylene (PP) was used as the nucleating agent in polystyrene (PS) and poly(methyl methacrylate) (PMMA) foams at the weight fraction of 10, 20, and 30 wt %. PP creates highly dispersed domains in PS and PMMA matrices during the extrusion processing. The high diffusivity of the physical foaming agent, i.e., CO2 in PP, and the high interfacial tension of PP with PS and PMMA could be beneficial for providing preferential bubble nucleation sites. The experimental results of the pressure quench solid‐state foaming of PS/PP and PMMA/PP blends verified that the dispersed PP could successfully increase the cell density over 106 cells/cm3 for PS/PP and 107 cells/cm3 for PMMA/PP blend and reduce the cell size to 24 μm for PS/PP and 9 μm for PMMA/PP blends foams. The higher interfacial tension between PP and the matrix polymer created a unique cell morphology where dispersed PP particles were trapped inside cells in the foam. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Distributed robust MPC for constrained systems with polytopic description
Authors: Ding Baocang
Published: October 2010

We address the distributed model predictive control (MPC) of a set of polytopic uncertain local systems with decoupled dynamics, but with a coupled global cost function. This is motivated mainly by two previous techniques. One is the distributed MPC for nominal nonlinear systems, which decomposes the global optimal control problem into the MPC of each local system, and applies state compatibility constraint for stability. The other is the centralized MPC for polytopic uncertain systems which parametrizes the infinite horizon control moves into N free control moves followed by a state feedback law. The compatibility constraint to each local controller is systematically re‐allocated, by deriving and disassembling a global compatibility condition. The global closed‐loop system is shown to be exponentially stable provided that all the local optimizers are feasible at the initial time. A simulation example is given to show the effectiveness of the distributed MPC.

Copyright © 2010 John Wiley and Sons Asia Pte Ltd and Chinese Automatic Control Society
If you have a choice, you have trouble: Stimulus valence modulates presentation‐order effects in preference judgment
Authors: Englund Mats P. , Hellström Åke
Published: October 2010

It is well known that the presentation order of choice options often affects decision outcomes to a significant degree. However, despite the significance and wide occurrence of the effects, they are ignored in most preference models. Furthermore, psychophysical findings of stimulus‐magnitude dependent presentation‐order effects have not been acknowledged previously in the cognitive literature on preference judgments. Thus, the potential moderating effect of the level of stimulus magnitude (here, valence) on the direction and size of order effects in preference judgment has not been investigated previously. In two experiments, participants (117 and 204, respectively) rated their preference for pairs of everyday‐type objects and phenomena (e.g., apple–pear, headache–stomachache). Stimuli were spaced horizontally, and each participant received them in one of two opposite within‐pair presentation orders. Participants also rated the stimuli's valence on a scale from very bad to very good. The results showed a positive correlation between the rated valence and the tendency to prefer the first‐mentioned (left) stimulus; that is, the effect was greatest, and opposite, for choices between the most attractive and the most unattractive options, respectively. In terms of Hellström's (1979) sensation‐weighting model, the positive correlation is caused by a higher weight (i.e., impact on the preference judgment) for the left stimulus than for the right, which is possibly due to the left stimulus being compared to the right. The results suggest that researchers may have failed previously to find important moderators of presentation‐order effects in preference judgment due to the failure to use sufficiently attractive or unattractive stimuli. Copyright © 2010 John Wiley & Sons, Ltd.
CHO‐K1 host cells adapted to growth in glutamine‐free medium by FACS‐assisted evolution
Authors: Bort Juan A. Hernández , Stern Beate , Borth Nicole
Published: October 2010

During the process of recombinant cell line optimisation for production of biopharmaceuticals, multiple cellular properties like robustness against stress, the attainment of high cell concentrations and maintenance of high viability must be considered to maximize protein yield. To improve growth and viability, glutamine is supplemented as an alternative energy source for rapidly dividing cells that oxidize glucose inefficiently. However, the resulting by‐product ammonia is toxic at high concentrations and has a negative impact on protein glycosylation, a major quality‐determining parameter of biopharmaceuticals. In this work, the CHO‐K1 cell line was adapted to a chemically defined medium and suspension growth within 3 weeks. Subsequently, the glutamine concentration was stepwise reduced from 8 to 4 and 2 mM. After each reduction, both the final cell concentration in the batch and the viability decreased. To force a rapid evolution of cells to achieve high final cell concentrations, cells were seeded at high densities (107cells/mL) and surviving cells were sorted by FACS or MACS when viability declined to 10% (typically after 24 h). Sorted cells were grown in batch until viability declined to 10% and viable cells recovered again. The final sorted population was able to reach comparable or even better viable cell concentrations and showed a significantly improved viability compared to their ancestors. The 2 mM glutamine‐adapted cell line was directly transferred into glutamine‐free medium and was able to grow at comparable rates without requiring further adaptation. Cells compensated the lack of glutamine by increasing their consumption of glutamate and aspartate.
Probing Enzyme Promiscuity of SGNH Hydrolases
Authors: Leščić Ašler Ivana , Ivić Nives , Kovačić Filip , Schell Sabrina , Knorr Janina , Krauss Ulrich , Wilhelm Susanne , Kojić‐Prodić Biserka , Jaeger Karl‐Erich
Published: October 2010

Several hydrolases of the SGNH superfamily, including the lipase SrLip from Streptomyces rimosus (Q93MW7), the acyl‐CoA thioesterase I TesA from Pseudomonas aeruginosa (Q9HZY8) and the two lipolytic enzymes EstA (from P. aeruginosa, O33407) and EstP (from Pseudomonas putida, Q88QS0), were examined for promiscuity. These enzymes were tested against four chemically different classes of a total of 34 substrates known to be hydrolysed by esterases, thioesterases, lipases, phospholipases, Tweenases and proteases. Furthermore, they were also analysed with respect to their amino acid sequences and structural homology, and their phylogenetic relationship was determined. The Pseudomonas esterases EstA and EstP each have an N‐terminal domain with catalytic activity together with a C‐terminal autotransporter domain, and so the hybrid enzymes EstAN–EstPC and EstPN–EstAC were constructed by swapping the corresponding N‐ and C‐terminal domains, and their hydrolytic activities were compared. Interestingly, substrate specificity and kinetic measurements indicated a significant influence of the autotransporter domains on the catalytic activities of these enzymes in solution. TesA, EstA and EstP were shown to function as esterases with different affinities and catalytic efficacies towards p‐nitrophenyl butyrate. Of all the enzymes tested, only SrLip revealed lipase, phospholipase, esterase, thioesterase and Tweenase activities.
On/Off Switching of Perylene Tetracarboxylic Bisimide Luminescence by Means of Substitution at the N‐Position by Electron‐Rich Mono‐, Di‐, and Trimethoxybenzenes
Authors: Flamigni Lucia , Ventura Barbara , Barbieri Andrea , Langhals Heinz , Wetzel Fritz , Fuchs Kerstin , Walter Andreas
Published: October 2010

A series of perylene tetracarboxylic bisimides, substituted at the N‐position with methoxyphenyl groups, have been synthesized together with model compounds and their photophysical properties have been investigated by means of steady‐state and time‐resolved spectroscopic techniques. The luminescence properties of the examined compounds vary remarkably with the substitution pattern, with emission quantum yields ranging from 1 to 10−2–10−3. The observed quenching of the luminescence is assigned to a photoinduced electron transfer (PET) from the electron‐rich methoxybenzene unit to the perylene bisimide moiety. The radical anion of perylene bisimide has been detected by transient‐absorption spectroscopy. The results could satisfactorily be explained by taking into consideration the redox potentials of the partners and the electron‐releasing ability of each methoxy group in relation to its position with respect to N. Quantum‐chemical calculations were also performed.
ChemInform Abstract: Crystal Structures of the Metal Diborides ReB2, RuB2, and OsB2 from Neutron Powder Diffraction.
Authors: Frotscher Michael , Hoelzel Markus , Albert Barbara
Published: October 2010

The title compounds are obtained from melts of the elements (argon, 2500—2600 K, 1 h) and characterized by X‐ray and neutron powder diffraction, which allows accurate localization of the boron atoms for the first time.
ChemInform Abstract: Isolated and Edge‐Connected Tetramers {(C2)2O2Dy14} in the Crystal Structures of {(C2)2O2Dy14}I24 and {(C2)2O2Dy12}I18.
Authors: Daub Kathrin , Meyer Gerd
Published: October 2010

{(C2)2O2Dy14}I24 (I) is synthesized by reaction of DyI3, Dy, Dy2O3, graphite, and NaI as a flux (Ta container, 1000 °C, 10 d), and {(C2)2O2Dy12}I18 (II) by reaction of DyI3, Dy, and graphite in the presence of Fe powder (Ta container, 1000 °C, 8 d).
ChemInform Abstract: Cu7Bi6S10Cl5 — Mobile Copper(I) Cations Inside Dendritic Channels of a Rigid Framework.
Authors: Heerwig Andreas , Ruck Michael
Published: October 2010

The title compound is prepared from stoichiometric amounts of Bi2S3, Cu, S, and CuCl (evacuated silica ampule, 570 K, 14 d) and characterized by powder and single crystal XRD, and XANES.
ChemInform Abstract: Diastereoselective Aza‐Baylis—Hillman Reactions: Synthesis of Chiral α‐Allenylamines and 2‐Azetines from Allenic Esters.
Authors: Santos Bruna S. , Cardoso Ana L. , Beja Ana Matos , Silva Manuela Ramos , Paixao Jose A. , Palacios Francisco , Pinho e Melo Teresa M. V. D.
Published: October 2010

The DABCO‐catalyzed reaction of allenoate (I), bearing a chiral auxiliary on the ester moiety, with sulfonylimines (II) affords the title products.
ChemInform Abstract: Triflic Acid Adsorbed on Silica Gel as an Efficient and Recyclable Catalyst for the Addition of β‐Dicarbonyl Compounds to Alcohols and Alkenes.
Authors: Liu Pei Nian , Xia Fei , Wang Qing Wei , Ren Yu Jie , Chen Jun Qin
Published: October 2010

Twenty‐two examples for the title reaction are presented, affording the corresponding products in moderate to excellent yields under solvent‐free conditions or in nitromethane.
ChemInform Abstract: 2‐Butyl‐5‐chloro‐3H‐imidazole‐4‐carbaldehyde as a New Synthon for the Synthesis of Fused Ring Heterocycles via Intramolecular 1,3‐Dipolar Cycloaddition Reactions.
Authors: Gaonkar S. L. , Rai K. M. Lokanatha
Published: October 2010

The title compound (I) is transformed into tricyclic heterocycles by substituting the chlorine atom and then converting the aldehyde function into 1,3‐dipole.
ChemInform Abstract: Solvent‐Free Microwave‐Assisted Meyers′ Lactamization.
Authors: Jida Mouhamad , Deprez‐Poulain Rebecca , Malaquin Sandra , Roussel Pascal , Agbossou‐Niedercorn Francine , Deprez Benoit , Laconde Guillaume
Published: October 2010

The protocol gives stereoselective access to Meyer′s chiral lactams in high yields and short times.
ChemInform Abstract: Ruthenium‐Catalyzed Alkyne Oxidation with Part‐Per‐Million Catalyst Loadings.
Authors: Ren Wei , Liu Jinfeng , Chen Long , Wan Xiaobing
Published: October 2010

The title alkyne oxidation proceeds with low catalyst loading, extremely high catalyst productivity (TON up to 420000), and can be scaled up to 1 mol.
ChemInform Abstract: RuI‐Catalyzed Two‐Component [(5 + 2) + 1] Cycloaddition Approach Toward [5‐8‐5] Ring Systems.
Authors: Huang Feng , Yao Zhong‐Ke , Wang Yi , Wang Yuanyuan , Zhang Jialing , Yu Zhi‐Xiang
Published: October 2010

An atom‐economical cycloaddition reaction of a variety of ene‐vinylcyclopropanes with CO affords fused tricyclic cyclooctenones bearing three stereocenters.
ChemInform Abstract: Highly Selective Semihydrogenation of Phenylalkynes to (Z)‐Styrenes Using Hantzsch Ester 1,4‐Dihydropyridine Catalyzed by Pd/C.
Authors: Zhao Yankai , Liu Qiang , Li Jing , Liu Zhongquan , Zhou Bo
Published: October 2010

A simple procedure under optimized conditions using the Hantzsch ester as a hydrogen source affords exclusively the (Z)‐alkenes.
ChemInform Abstract: Silica Gel Mediated Rearrangement of Allylic Acetates. Application to the Synthesis of 1,3‐Enynes.
Authors: Serra‐Muns Anna , Guerinot Amandine , Reymond Sebastien , Cossy Janine
Published: October 2010

The rearrangement of secondary allylic alcohols such as (I), (III) and (V) bearing propargylic or aromatic substituents to their most stable regioisomers is reported.
ChemInform Abstract: Highly Enantioselective 1,4‐Michael Additions of Nucleophiles to Unsaturated Aryl Ketones with Organocatalysis of Bifunctional Cinchona Alkaloids.
Authors: Oliva Cristina G. , Silva Artur M. S. , Resende Diana I. S. P. , Paz Filipe A. A. , Cavaleiro Jose A. S.
Published: October 2010

Asymmetric 1,4‐Michael additions of malononitrile and nitromethane to a wide spectrum of α,β,γ,δ‐unsaturated aryl ketones assisted by organocatalysis by bifunctional cinchona alkaloids is developed.
ChemInform Abstract: Organic Dye Photocatalyzed α‐Oxyamination Through Irradiation with Visible Light.
Authors: Liu Hongjun , Feng Wei , Kee Choon Wee , Zhao Yujun , Leow Dasheng , Pan Yuanhang , Tan Choon‐Hong
Published: October 2010

A Rose Bengal catalyzed light‐induced C—O coupling affords α‐hydroxy acid derivatives in good to excellent yields.
ChemInform Abstract: Asymmetric Addition of α‐Hetero‐Disubstituted Aldehydes to Vinyl Sulfones; Formation of Highly Functionalized Tetrasubstituted Carbon Centers.
Authors: Quintard Adrien , Alexakis Alexandre
Published: October 2010

The title reaction proceeds rapidly and in high enantioselectivities due to the increased acidity of the hydrogen α‐ to the carbonyl group.
ChemInform Abstract: Direct Application of Phenolic Salts to Nickel‐Catalyzed Cross‐Coupling Reactions with Aryl Grignard Reagents.
Authors: Yu Da‐Gang , Li Bi‐Jie , Zheng Shu‐Fang , Guan Bing‐Tao , Wang Bi‐Qing , Shi Zhang Jie
Published: October 2010

The first successful cross‐coupling of 2‐naphthols with arylmagnesium bromides is readily achieved via in situ generation of magnesium naphtholates to afford the corresponding biaryl derivatives (III), (V) in good yields.
ChemInform Abstract: Preparation and Catalytic Performance of Carbon Nanotube Supported Palladium Catalyst.
Authors: Zhang Yan , Chu Wei , Xie Lijuan , Sun Wenjing
Published: October 2010

The title catalyst, prepared by a traditional impregnation method or a chemical reduction protocol, is effective in the Heck reaction.
ChemInform Abstract: PdCl2‐Catalyzed Cross‐Coupling Reaction of Arylacetylene Iodides with Arylboronic Acids to Diarylacetylenes.
Authors: Shi Yu , Li Xiaoyu , Liu Jianhui , Jiang Wenfeng , Sun Licheng
Published: October 2010

Novel optimized reaction conditions are developed for the Suzuki‐type coupling.
ChemInform Abstract: Extraordinary Effect of Microwave Irradiation on Asymmetric Catalysis.
Authors: Kikuchi Satoshi , Tsubo Tatsuyuki , Ashizawa Tomoko , Yamada Tohru
Published: October 2010

The atropo‐enantioselective ring‐opening reaction of biaryllactones (I) catalyzed by silver/chiral phosphine complexes is significantly enhanced under microwave irradiation while maintaining the enantioselectivity.
ChemInform Abstract: Regioselective Synthesis of Naphthalenes from Modified Baylis—Hillman Adducts via a Pd‐Catalyzed Cyclization: 5‐exo‐Carbopalladation, C(sp3)—H Activation to Cyclopropane, Ring‐Opening, and Aromatization Cascade.
Authors: Kim Se Hee , Lee Hyun Seung , Kim Ko Hoon , Kim Jae Nyoung
Published: October 2010

The process affords polysubstituted naphthalene derivatives as main products in low to moderate yields.
ChemInform Abstract: Gold(I)‐Catalyzed Enantioselective Synthesis of Functionalized Indenes.
Authors: Martinez Alberto , Garcia‐Garcia Patricia , Fernandez‐Rodriguez Manuel A. , Rodriguez Felix , Sanz Roberto
Published: October 2010

Au/Ag‐Catalyzed cycloisomerization of a variety of o‐alkynylstyrene derivatives, e.g. (I) and (VII), proceeds with moderate to high enantioselectivity (up to 92% e.e.) in the presence of an axially chiral MeO‐biphep ligand to give alkenyl‐substituted indenes (II) and (VIII), resp., in high yields.
ChemInform Abstract: Rhodium‐Catalyzed Tandem Nucleophilic Addition/Bicyclization of Diyne‐Enones with Alcohols: A Modular Entry to 2,3‐Fused Bicyclic Furans.
Authors: Zhao Wanxiang , Zhang Junliang
Published: October 2010

A novel rhodium‐catalyzed stereoselective tandem nucleophilic addition/bicyclization of various alcohols with diyne—enones provides an efficient, atom‐economic route to multi‐functionalized 2,3‐fused bicyclic furans.
ChemInform Abstract: Palladium(II)‐Catalyzed Oxidative Carbocyclization of Aza‐Enallenes.
Authors: Persson Andreas K. A. , Baeckvall Jan‐E.
Published: October 2010

Palladium‐catalyzed oxidative carbocyclization of azaeneallenes provides access towards a variety of vinyl‐substituted pyrrolines, e.g. (II), (VIII) or (XII), in good yields.
ChemInform Abstract: Orthogonal Enantioselectivity Approaches Using Homogeneous and Heterogeneous Catalyst Systems: Friedel—Crafts Alkylation of Indole.
Authors: Kim Hun Young , Kim Sungkyung , Oh Kyungsoo
Published: October 2010

Either enantiomeric alkylated indole (III) can be selectively obtained in the presence of a copper catalyst derived from dihydroxylated brucine.
ChemInform Abstract: A Convenient Synthesis of 2,3‐Dihydro‐3‐methylidene‐1H‐isoindol‐1‐ones by Reaction of 2‐Formylbenzonitriles with Dimethyloxosulfonium Methylide.
Authors: Kobayashi Kazuhiro , Matsumoto Kota , Nakamura Daizo , Fukamachi Shuhei , Konishi Hisatoshi
Published: October 2010

The reaction proceeds via dimethyloxosulfonium methylide, generated in situ from trimethylsulfoxonium iodide with NaH.
ChemInform Abstract: (Z)‐Selective Synthesis of o‐Bromoacetophenone N‐Tosylhydrazones and Formation of 3‐Methylindazoles in Aqueous Ethanol.
Authors: Kylmaelae Tuula , Udd Sandra , Tois Jan , Franzen Robert
Published: October 2010

A practical method for the synthesis of precursors (III) is described.
ChemInform Abstract: Formal Olefination and Acylaziridination of Imidazolones.
Authors: Dai Xing , Miller Michael W. , Stamford Andrew W.
Published: October 2010

The first formal olefination of an imidazolone via [3+2] cycloaddition of terminal alkenes with an imidazolone N‐oxide (I), followed by a basic and acidic work‐up affords the products with high yields, tolerating a wide range of functionalities and aromatic and aliphatic alkenes.
ChemInform Abstract: Ceria Nanoparticles as Heterogeneous Catalyst for CO2 Fixation by ω‐Amino Alcohols.
Authors: Juarez Raquel , Concepcion Patricia , Corma Avelino , Garcia Hermenegildo
Published: October 2010

CeO2 is found to be a reusable catalyst for the reaction of CO2 with ω‐amino alcohols (I), (IV) and (VI) to form cyclic carbamates (III), (V), and (VII), respectively.
ChemInform Abstract: Trihaloacetaldehyde N,O‐Acetals: Useful Building Blocks for Dihalomethylene Compounds.
Authors: Yanai Hikaru , Taguchi Takeo
Published: October 2010

Trifluoromethyl‐substituted benzoxazole (I) reacts with the excess of organyl lithium resulting in the regioselective formation of α,α‐difluoro ketone N,O‐acetals via defluorinative alkylation [cf.
ChemInform Abstract: Ruthenium Lewis Acid Catalyzed Asymmetric 1,3‐Dipolar Cycloadditions Between N‐Methylnitrones and Enals.
Authors: Badoiu Andrei , Bernardinelli Gerald , Kuendig E. Peter
Published: October 2010

The title reaction of nitrones (II) with methacrolein proceeds well with good regio‐ diastereo‐ and enantioselectivity under conditions A).
ChemInform Abstract: “On‐Water” Synthesis of Chromeno‐Isoxazoles Mediated by [Hydroxy(tosyloxy)iodo]benzene (HTIB).
Authors: Raihan Mustafa J. , Kavala Veerababurao , Kuo Chun‐Wei , Raju B. Rama , Yao Ching‐Fa
Published: October 2010

A convenient and efficient method for the synthesis of tricyclic isoxazoline and isoxazole derivatives from oxime derivatives is presented.
ChemInform Abstract: On the Reaction of 3‐Cyanochromones with Phenyl‐ and Methylhydrazines: Structural Revision and a Simple Synthesis of Chromeno[4,3‐c]pyrazol‐4‐ones.
Authors: Sosnovskikh Vyacheslav Ya. , Moshkin Vladimir S. , Kodess Mikhail I.
Published: October 2010

Treatment of cyanochromone (I) with methyl‐ and phenylhydrazines (II) and (VI) affords a variety of products.
ChemInform Abstract: Zinc Chloride‐Catalyzed One‐Pot Synthesis of 3‐[2‐(3‐Methyl‐4,5‐dihydro‐furo [2,3‐c]pyrazol‐1‐yl)thiazol‐4‐yl]chromene‐2‐ones via a Three‐Component Reaction.
Authors: Kumar P. Vijaya , Reddy K. Manoher , Rao V. Rajeswar
Published: October 2010

Compounds (IV) can also be obtained in acetic acid under reflux or via Hantzsch thiazole synthesis in 70—76% yield.
ChemInform Abstract: Efficient Construction of a 3C‐Xanthone‐Linked 3C‐Chromone Scaffold by Novel Double Michael Additions and Cyclizations.
Authors: Xie Fuchun , Chen Hong , Hu Youhong
Published: October 2010

The reaction is promoted by DBU as a base and proceeds without any transition metal or inert atmosphere.
ChemInform Abstract: Highly Efficient Chemoselective Construction of 2,2‐Dimethyl‐6‐substituted 4‐Piperidones via Multicomponent Tandem Mannich Reaction in Ionic Liquids.
Authors: Feng Li‐Chun , Sun Ya‐Wei , Tang Wei‐Jun , Xu Li‐Jin , Lam Kim‐Lung , Zhou Zhongyuan , Chan Albert S. C.
Published: October 2010

The ionic liquid [bmim][PF6] is an efficient and recyclable medium for the chemoselective L‐proline catalyzed synthesis of 2,2‐dimethyl‐6‐substituted 4‐piperidones such as (III) and (V).
ChemInform Abstract: The Reaction of 2‐Dimethylaminomethylene‐3‐oxo‐N‐phenylbutyramide with Active Methylene Nitriles.
Authors: Abdelrazek Fathy M. , Sharaf Mohey F. , Metz Peter , Jaeger Anna
Published: October 2010

The base‐catalyzed title reactions provide access to 3‐cyanopyridine derivatives.
ChemInform Abstract: Synthesis, Topoisomerase I and II Inhibitory Activities, and Cytotoxicity of 4,6‐Diaryl‐2,4′‐bipyridine Derivatives.
Authors: Karki Radha , Thapa Pritam , Kwon Youngjoo , Lee Eung‐Seok
Published: October 2010

A variety of 2,4′‐bipyridine derivatives (I) (15 examples) is designed and synthesized.
ChemInform Abstract: Iodine‐Catalyzed and Solvent‐Controlled Selective Electrophilic Cyclization and Oxidative Esterification of ortho‐Alkynyl Aldehydes.
Authors: Verma Akhilesh Kumar , Aggarwal Trapti , Rustagi Vineeta , Larock Richard C.
Published: October 2010

Reaction temperature and solvent have dramatic effects on the course.
ChemInform Abstract: Bis‐8‐hydroxyquinoline and Bis‐8‐hydroxyquinaldine N‐Substituted Amines: A Single Methyl Group Structural Difference Between the Two Heterocycles, which Modulates the Antiproliferative Effects.
Authors: Kraus Jean‐Louis , et al. et al.
Published: October 2010

Bishydroxyquinoline N‐benzyl or thiophenyl amines and bishydroxyquinaldine derivatives (V) are prepared which differ only by the presence of a methyl group at the 2‐position of the heterocyclic ring.
ChemInform Abstract: Efficient Synthesis of 1,3,4‐Oxadiazolyl‐1,8‐naphthyridines Using Iodobenzene Diacetate in Solid State.
Authors: Mogilaiah K. , Kumar K. Shiva , Swamy J. Kumara , Chandra A. Vinay
Published: October 2010

The title oxadiazoles of type (VII) are obtained in high purity.
ChemInform Abstract: Copper‐Catalyzed Tandem Process: An Efficient Approach to 2‐Substituted‐1,4‐benzodioxanes.
Authors: Liu Yunyun , Bao Weiliang
Published: October 2010

The synthesis of a variety of 2‐substituted benzodioxanes (III), (V) is chemoselectively achieved by copper‐catalyzed cyclization of iodophenoxymethyloxiranes in the presence of phenol nucleophiles.
ChemInform Abstract: Synthesis, Antimicrobial and Insecticidal Activity of Some New Cinnoline Based Chalcones and Cinnoline Based Pyrazoline Derivatives.
Authors: Gautam Nidhi , Chourasia O. P.
Published: October 2010

The title compounds (IV) and (V) exhibit good antibacterial, antifungal and insecticidal activities.
ChemInform Abstract: Microwave‐Accelerated Dimroth Rearrangement for the Synthesis of 4‐Anilino‐6‐nitroquinazolines. Application to an Efficient Synthesis of a Microtubule Destabilizing Agent.
Authors: Foucourt Alicia , Dubouilh‐Benard Carole , Chosson Elizabeth , Corbiere Cecile , Buquet Catherine , Iannelli Mauro , Leblond Bertrand , Marsais Francis , Besson Thierry
Published: October 2010

A variety of substituted anilines is applied to the reaction with cyanophenyl dimethylimidoformamide substrates (I) and (VIII) under microwave‐assisted conditions and atmospheric pressure to afford the desired 4‐anilinoquinazolines (III) or (IX).
ChemInform Abstract: Some Observations on the Base‐Catalyzed Cyclocondensation of 2,6‐Dihalobenzaldehydes, Ethyl Cyanoacetate, and Thiourea.
Authors: Al‐Omar Mohamed A. , Al‐Obaid Abdul‐Rahman M. , El‐Brollosy Nasser R. , El‐Emam Ali A.
Published: October 2010

The title cyclocondensation affords inseparable mixtures of cis‐ and trans‐dihydrothiouracil derivatives (IV)/(V), which are found to be highly resistant to atmospheric and thermal oxidation.
ChemInform Abstract: Design and Synthesis of Novel Pyrazino[2,1‐a]isoquinoline Derivatives with Potent Antifungal Activity.
Authors: Tang Hui , Zheng Can‐hui , Zhu Ju , Fu Bing‐yue , Zhou You‐jun , Lv Jia‐guo
Published: October 2010

Compound (VIb) is more potent than fluconazole against two of the three tested fungal strains.
ChemInform Abstract: Revisiting the Hinsberg Reaction: Facile and Expeditious Synthesis of 3‐Substituted Quinoxalin‐2(1H)‐ones under Catalyst‐Free Conditions in Water.
Authors: Murthy Sabbavarapu Narayana , Madhav Bandaru , Nageswar Yadavalli Venkata Durga
Published: October 2010

The protocol is simple and environmentally friendly allowing the preparation of various 3‐substituted quinoxalin derivatives in good yields.
ChemInform Abstract: An Efficient Microwave‐Assisted Synthesis of 6,8‐Dihydroimidazo[1,2‐a][1,3,5]triazine Derivatives.
Authors: Matloobi Mitra , Schramm Hans Wolfgang
Published: October 2010

Reaction of the 1‐substituted biguanides (I) with benzil (II) under microwave conditions affords the imidazolyl guanidine intermediates (III) as a mixture of tautomers within a few minutes.
ChemInform Abstract: Synthesis, Antioxidant and Antimicrobial Activity of Novel Benzene‐1,4‐diamine‐bis‐dioxaphosphepine‐6λ5 Iminophosphoranes.
Authors: Reddy M. Veera Narayana , Reddy G. Chandra Sekhar , Kumar K. Suresh , Reddy C. Suresh , Raju C. Naga
Published: October 2010

The majority of the title compounds (V) (10 examples) exhibits potent in vitro antioxidant and antimicrobial activities.
ChemInform Abstract: Efficient Synthesis of Selenoesters from Acyl Chlorides Mediated by CuO Nanopower in Ionic Liquid.
Authors: Singh Devender , Narayanaperumal Senthil , Gul Kashif , Godoi Marcelo , Rodrigues Oscar Endrigo Dorneles , Braga Antonio Luiz
Published: October 2010

Catalyst and solvent are easily recovered and can be reused.
ChemInform Abstract: Brasilamides A—D: Sesquiterpenoids from the Plant Endophytic Fungus Paraconiothyrium brasiliense.
Authors: Liu Ling , Gao Hao , Chen Xulin , Cai Xiaoyue , Yang Leilei , Guo Liangdong , Yao Xinsheng , Che Yongsheng
Published: October 2010

Brasilamides B (Ib), C (IIa), and D (IIb) show modest inhibitory effects on HIV‐1 replication in C8166 cells.
ChemInform Abstract: Enantiospecific Total Synthesis of ent‐5‐Senecioyloxy‐10,11‐epoxythapsan‐10‐ol.
Authors: Srikrishna A. , Anebousselvy K.
Published: October 2010

Starting from (R)‐carvone, a Criegee fragmentation is used for the intramolecular stereospecific transfer of the chirality to produce the ester (I) by a published procedure.
ChemInform Abstract: Mutremdamide A (I) and Koshikamides C—H, Peptide Inhibitors of HIV‐1 Entry from Different Theonella Species.
Authors: Plaza Alberto , Bifulco Giuseppe , Masullo Milena , Lloyd John R. , Keffer Jessica L. , Colin Patrick L. , Hooper John N. A. , Bell Lori J. , Bewley Carole A.
Published: October 2010

The highly N‐methylated linear polypeptides koshikamide C‐E and the cyclic analogues F‐H are isolated from Theonella swinhoei and Theonella cupola.
ChemInform Abstract: Enantioselective Total Synthesis of the Unnatural and the Natural Stereoisomers of Vittalalactone.
Authors: Schmidt Yvonne , Lehr Konrad , Breuninger Ulrich , Brand Gabriel , Reiss Tomislav , Breit Bernhard
Published: October 2010

Based on the synthesis of stereoisomers and spectroscopic comparison, it is found that the natural compound is represented by structure (I).
ChemInform Abstract: The Metabolites of Mangrove Endophytic fungus Zh6‐B1 from the South China Sea.
Authors: Li Kai‐Kai , Lu Yong‐Jun , Song Xiao‐Hong , She Zhi‐Gang , Wu Xi‐Wei , An Lin‐Kun , Ye Chuang‐Xing , Lin Yong‐Cheng
Published: October 2010

Sonnerlactones (I) may have beneficial therapeutic potential against drug‐resistant tumors.
ChemInform Abstract: New Phenanthrenes and Stilbenes from Dendrobium loddigesii
Authors: Ito Masanobu , Matsuzaki Keiichi , Wang Jue , Daikonya Akihiro , Wang Nai‐Li , Yao Xin‐Sheng , Kitanaka Susumu
Published: October 2010

isolation and structure determination of the new compounds, loddigesiinols A—D and evaluation of their effects against NO production and DPPH radical scavenging
ChemInform Abstract: Discovery of TRPV1 Antagonist ABT‐116.
Authors: Brown Brian S. , et al. et al.
Published: October 2010

The synthesis and SAR of a series of indazole TRPV1 antagonists leads to the discovery of ABT‐116 (I).
ChemInform Abstract: Nanocrystalline Intermetallics and Alloys
Authors: Wang Dingsheng , Peng Qing , Li Yadong
Published: October 2010

Review: 26 refs.
ChemInform Abstract: Coordination Versatility of Pyrazole‐Based Ligands Towards High‐Nuclearity Transition‐Metal and Rare‐Earth Clusters
Authors: Viciano‐Chumillas Marta , Tanase Stefania , de Jongh L. Jos , Reedijk Jan
Published: October 2010

Review: 205 refs.
ChemInform Abstract: Recent Mechanistic and Synthetic Developments in the Chemistry of Transition‐Metal Vinylidene Complexes
Authors: Lynam Jason M.
Published: October 2010

Review: 61 refs.
ChemInform Abstract: Electronic Communication Through Unsaturated Hydrocarbon Bridges in Homobimetallic Organometallic Complexes
Authors: Aguirre‐Etcheverry Paulina , O'Hare Dermot
Published: October 2010

Review: 232 refs.
ChemInform Abstract: From Discovery to Application: 50 Years of the Vinylcyclopropane—Cyclopentene Rearrangement and Its Impact on the Synthesis of Natural Products
Authors: Hudlicky Tomas , Reed Josephine W.
Published: October 2010

Review: 121 refs.
ChemInform Abstract: Glycosylation with Glycosyl N‐Phenyltrifluoroacetimidates (PTFAI) and a Perspective of the Future Development of New Glycosylation Methods
Authors: Yu Biao , Sun Jiansong
Published: October 2010

Review: 23 refs.
ChemInform Abstract: Nucleosides, Nucleotides & Nucleic Acids
Authors: several authors several authors
Published: October 2010

Review: Proceedings of the13th International Symposium on Purine and Pyrimide Metabolism in Man; 43 contributions
ChemInform Abstract: Metal‐Doped Zeolites as Green Catalysts for Organic Synthesis
Authors: Chassaing Stefan , Alix Aurelien , Olmos Andrea , Keller Muriel , Sommer Jean , Pale Patrick
Published: October 2010

Review: ca. 50 refs.
ChemInform Abstract: 2‐Isoxazolinium Salts and 3‐Isoxazolines: Exploratory Chemistry and Uses for the Synthesis of Branched Amino Polyols and Amino Acids
Authors: Jaeger Volker , Frey Wolfgang , Bathich Yaser , Shiva Sunitha , Ibrahim Mohammad , Henneboehle Marco , LeRoy Pierre‐Yves , Imerhasan Mukhtar
Published: October 2010

Review: 46 refs.
ChemInform Abstract: Heterocycle‐Forming Reactions of 1,2‐Benzoquinones
Authors: Ramsden Christopher A.
Published: October 2010

Review: ca. 250 refs.
ChemInform Abstract: The Chemistry of the [1,2,3]Triazolo[1,5‐a]pyridines: An Update
Authors: Jones Gurnos , Abarca Belen
Published: October 2010

Review: ca. 100 refs.
ChemInform Abstract: Click Polymerization
Authors: Qin Anjun , Lam Jacky W. Y. , Tang Ben Zhong
Published: October 2010

Review: 145 refs.
ChemInform Abstract: Organic Thin‐Film Transistors
Authors: Klauk Hagen
Published: October 2010

Review: 200 refs.
ChemInform Abstract: Fascination with Natural Glycosides
Authors: Ikeda Tsuyoshi , Miyashita Hiroyuki , Nakano Daisuke , Nohara Toshihiro
Published: October 2010

Review: 12 refs.
ChemInform Abstract: Methods for Vinyl Ether Synthesis
Authors: Winternheimer David J. , Shade Ryan E. , Merlic Craig A.
Published: October 2010

Review: ca. 100 refs.
ChemInform Abstract: The Potential of Natural Products in the Discovery of Pharma Leads: A Case for Reassessment
Authors: Danishefsky Samuel
Published: October 2010

Review: 5 refs.
ChemInform Abstract: Current Challenges of Modeling Diiron Enzyme Active Sites for Dioxygen Activation by Biomimetic Synthetic Complexes
Authors: Friedle Simone , Reisner Erwin , Lippard Stephen J.
Published: October 2010

Review: 72 refs.
ChemInform Abstract: Heterogeneous Multiphase Reactions
Authors: Kashid Madhvanand N. , Agar David W. , Renken Albert , Kiwi‐Minsker Lioubov
Published: October 2010

Review: 102 refs.
ChemInform Abstract: Fluid—Fluid and Fluid—Solid Mass Transfer
Authors: Kreutzer Michiel T. , Gunther Axel
Published: October 2010

Review: 54 refs.
ChemInform Abstract: Industrially Relevant: Hydrogenation Catalysts
Authors: Saikia P. , Reddy B. M.
Published: October 2010

Review: 52 refs.
ChemInform Abstract: Designer Self‐Assembling Peptide Nanofiber Biological Materials
Authors: Hauser Charlotte A. E. , Zhang Shuguang
Published: October 2010

Review: 42 refs.
ChemInform Abstract: Mechanistic Insight into Organic and Catalytic Reactions by Joint Studies Using Mass Spectrometry and NMR Spectroscopy
Authors: Belyakov Pavel A. , Kadentsev Valentine I. , Chizhov Alexander O. , Kolotyrkina Natal'ya G. , Shashkov Alexander S. , Ananikov Valentine P.
Published: October 2010

Review: 47 refs.
ChemInform Abstract: Solvation of Carbohydrates in 1,3‐Dialkylimidazolium Ionic Liquids: Insights from Multinuclear NMR Spectroscopy and Molecular Dynamics Simulations
Authors: Petrik Igor D. , Remsing Richard C. , Liu Zhiwei , O'Brien Brendan B. , Moyna Guillermo
Published: October 2010

Review: 38 refs.
Artificial Neural Network Prediction of Tropospheric Ozone Concentrations in Istanbul, Turkey
Authors: Inal Fikret
Published: October 2010

Tropospheric (ground‐level) ozone has adverse effects on human health and environment. In this study, next day's maximum 1‐h average ozone concentrations in Istanbul were predicted using multi‐layer perceptron (MLP) type artificial neural networks (ANNs). Nine meteorological parameters and nine air pollutant concentrations were utilized as inputs. The total 578 datasets were divided into three groups: training, cross‐validation, and testing. When all the 18 inputs were used, the best performance was obtained with a network containing one hidden layer with 24 neurons. The transfer function was hyperbolic tangent. The correlation coefficient (R), mean absolute error (MAE), root mean squared error (RMSE), and index of agreement or Willmott's Index (d2) for the testing data were 0.90, 8.78 µg/m3, 11.15 µg/m3, and 0.95, respectively. Sensitivity analysis has indicated that the persistence information (current day's maximum and average ozone concentrations), NO concentration, average temperature, PM10, maximum temperature, sunshine time, wind direction, and solar radiation were the most important input parameters. The values of R, MAE, RMSE, and d2 did not change considerably for the MLP model using only these nine inputs. The performances of the MLP models were compared with those of regression models (i.e., multiple linear regression and multiple non‐linear regression). It has been found that there was no significant difference between the ANN and regression modeling techniques for the forecasting of ozone concentrations in Istanbul.
Extending Service Life of Household Water Filters by Mixing Metallic Iron with Sand
Authors: Noubactep Chicgoua , Caré Sabine , Togue‐Kamga Fulbert , Schöner Angelika , Woafo Paul
Published: October 2010

The use of metallic iron filters (Fe0 filters) has been discussed as a promising low‐cost option for safe drinking water production at household level. Filter clogging due to the volumetric expansive nature of iron corrosion has been identified as the major problem of Fe0 filters. Mixing Fe0 and sand (yielding Fe0/sand filters) has been proposed as a tool to extent filter service life. However, no systematic discussion rationalizing Fe0/sand mixtures is yet available. This communication theoretically discussed suitable Fe0/sand proportions for efficient filters. Results suggested that Fe0/sand filters should not contain more that 50 vol% Fe0 (25 wt% when Fe0 is mixed with quartz). The actual Fe0 percentage in a filter will depend on its intrinsic reactivity.