bluuebunny/crossref_metadata_2025_split huggingface dataset:
Biological activity of astilbin from Dimorphandra mollis against Anticarsia gemmatalis and Spodoptera frugiperda
Authors: Batista Pereira Luciane G , Petacci Fernando , Fernandes João B , Corrêa Arlene G , Vieira Paulo C , da Silva M Fátima G F , Malaspina Osmar 
Published: August 2002

AbstractAstilbin was isolated in high yield from Dimorphandra mollis, and its insecticidal and growth inhibiting activity by stomach ingestion were evaluated against Anticarsia gemmatalis and Spodoptera frugiperda. The insecticidal activity of astilbin, the weight reduction of the larval phase and the prolongation of the larval and pupal phases were verified for both species. Astilbin was identified on the base of its NMR, MS and physical data.© 2002 Society of Chemical Industry
Medicines for sea lice
Authors: Grant Andrew N 
Published: August 2002

AbstractSea louse (Family Caligidae: genera Caligus and Lepeophtheirus) infection of farmed salmonids represents a significant threat to animal welfare and undermines profitability. Lice may also act as vectors for the transmission of viral and bacterial pathogens. Pest‐control programmes parallel those deployed in terrestrial livestock farming and include the use of parasiticides. The authorisation process for fish medicines varies widely between salmon farming countries and undue regulatory constraint may place farmers in one country at a competitive disadvantage. In many jurisdictions, fish are a ‘minor’ species and mounting demands for environmental assessment increase registration costs. A successful integrated louse‐management strategy requires free access to a range of effective, chemically unrelated active ingredients deployed according to current best practice. Over‐reliance on a limited number of products will lead, inevitably, to resistance, which is difficult to counter.© 2002 Society of Chemical Industry
A diepitopic sequential oligopeptide carrier (SOCn) as mimic of the Sm autoantigen: synthesis, conformation and biological assays
Authors: Alexopoulos Charalampos , Tsikaris Vassilios , Rizou Catherina , Panou‐Pomonis Eugenia , Sakarellos‐Daitsiotis Maria , Sakarellos Constantinos , Vlachoyiannopoulos Panayiotis G. , Moutsopoulos Haralampos M. 
Published: August 2002

AbstractAnti‐Sm (Sm: U1‐U6 RNA‐protein complex) antibodies are usually considered highly specific for systemic lupus erythematosus (SLE), while anti‐U1RNP (U1RNP: U1RNA‐protein complex) are thought of as diagnostic criteria for the mixed connective tissue disease (MCTD). However, both antibody specificities coexist in SLE and MCTD, in varying percentages. Although the anti‐Sm/anti‐U1RNP immunological cross‐reactivity has been initially attributed to a common motif, PPXY(Z)PP (where X, Y, Z are various amino acids), found in the Sm, U1‐A and U1‐C autoantigens, it appears that the conformational features of the Sm epitopes also play an important role in the immunoreactivity. The PPGMRPP and PPGIRGP main epitopes of the Sm antigen were coupled in duplicate to the tetrameric Ac‐(Lys‐Aib‐Gly)4‐OH, SOC4, carrier to form the [(PPGMRPP)2, (PPGIRGP)2]‐SOC4 construct as a mimic of the native Sm. It was found that: (i) the 310 helical structure of SOC4 allows the epitopes to adopt an exposed orientation, similar to their free forms, that facilitates their recognition from the anti‐Sm antibodies, and (ii) the U1‐RNP cross‐reactivity is minimized. Copyright © 2001 European Peptide Society and John Wiley & Sons, Ltd.
Imidazoline pseudodipeptides as mimics of reverse turn structures
Authors: Jones Raymond C.F. , Dickson James 
Published: August 2002

AbstractThe synthesis of an imidazoline dipeptide mimetic (a 4,5‐dihydroimidazole‐4‐carboxylic acid) is reported that displays an intramolecular hydrogen‐bond consistent with a turn conformation in solution. Copyright © 2001 European Peptide Society and John Wiley & Sons, Ltd.
Study of different coupling agents in the conjugation of a V3‐based synthetic MAP to carrier proteins
Authors: Cruz Luis J. , Iglesias Enrique , Aguilar Julio C. , Quintana Diogenes , Garay Hilda E. , Duarte Carlos , Reyes Osvaldo 
Published: August 2002

AbstractThe conjugation of synthetic peptides to carrier proteins is a widely used method for immunological studies. Different coupling agents have been described to form the conjugate with carrier proteins. In this paper, we demonstrate that the antibody response toward V3‐based synthetic MAPs derived from HIV‐1, JY1 isolate, conjugated to two different carrier proteins using either m‐maleimidobenzoyl‐N‐hydroxysuccinimide ester (MBS) or β‐maleimidopropionic acid N‐hydroxysuccinimide ester (MPS), or succinic anhydride (SA) show different behaviors. An excellent anti‐JY1 response without a strong response to the coupling agent is observed in the case of succinic anhydride spacer. In contrast, MBS produces total abrogation of the antibody response with a high response toward the coupling agent. Copyright © 2001 European Peptide Society and John Wiley & Sons, Ltd.
Modulating effect of Liv.100, an ayurvedic formulation on antituberculosis drug‐induced alterations in rat liver microsomes
Authors: Saraswathy S. D. , Shyamala Devi C. S. 
Published: August 2002

AbstractThe influence of Liv.100 on the hepatotoxicity of antituberculosis drugs [isoniazid (INH), rifampicin (RMP) pyrazinamide (PZA)] was studied in male albino rats. INH, RMP, and PZA were proved to be the most hepatotoxic. Rats were treated with antituberculosis drugs daily for a period of 6 weeks by intragastric administration. The combined use of antituberculosis drugs elevated the levels of cytochrome P‐450 and cytochrome‐b5. A significant increase was observed in the levels of NADPH‐cytochrome P‐450 reductase and NADH‐cytochrome‐b5 reductases after antitubercular drug administration. During antitubercular drug treatment a significant decrease was also observed in the activity of glucose‐6‐phosphatase. The extent of NADPH‐induced and ascorbic acid‐induced lipid peroxides were marked in antitubercular drug treatment, when compared with normal control animals. Oral Liv.100 co‐administration, for the same period, modulated the alterations in the xenobiotic metabolizing system and microsomal lipid peroxidation in experimental animals. The results are discussed with reference to drug metabolizing enzymes, lipid peroxidation and the hepatoprotective nature of Liv.100. Copyright © 2001 John Wiley & Sons, Ltd.
Comparative study of two Ginkgo biloba extracts on the phagocytic activity and DTH response of healthy mice
Authors: Martha Villaseñor‐García María , Puebla‐Pérez Ana María , Lozoya Xavier 
Published: August 2002

AbstractThe phagocytic activity and delayed‐type Hypersensitivity (DTH) response to dinitrofluorobenzene (DNFB) of healthy BALB/c mice treated orally (100 mg/kg/day for 7 days) using two Ginkgo biloba extracts were studied. The phytopharmaceuticals Gb 30 (Alban Muller International, France) and EGb 761 (Schwabe, Germany) administered orally stimulated the phagocytic activity of peritoneal and alveolar macrophages. Likewise, the DTH response was found to be increased only with Gb 30 treatment. These results suggest that Ginkgo biloba possesses immunological activity in addition to the biological activity reported. The different chemical concentration of the components of the Ginkgo biloba extracts mentioned above may be responsible for the differences in the observed findings. Copyright © 2002 John Wiley & Sons, Ltd.
Effect of freeze dried extract of Olea europaea on the pituitary–thyroid axis in rats
Authors: Al‐Qarawi A. A. , Al‐Damegh M. A. , ElMougy S. A. 
Published: August 2002

AbstractThe effect of an aqueous extract of olive (Olea europaea) leaf on the thyroid activity was studied. The results suggest a stimulatory action of the extract on the thyroid, unrelated to the pituitary. Copyright © 2002 John Wiley & Sons, Ltd.
Performances of time–temperature indicators in the study of temperature exposure of packaged fresh foods
Authors: Riva Marco , Piergiovanni Luciano , Schiraldi Alberto 
Published: August 2002

AbstractThe diffusion of time–temperature indicators (TTIs), attached as labels onto the packages of perishable food and non‐food products (intelligent packaging), is growing more and more. Aside from checking product shelf‐life, TTI devices can be used to monitor the distribution chain in real conditions. In this respect, the performances of some very common TTIs (A 12 Fresh Check, Lifelines Technologies) were extensively investigated in this work. The aim was to establish a procedure for an accurate, objective and reproducible estimate of the darkening progress of the sensitive area of the indicators and to discover a reliable data treatment to estimate the ‘effective temperature’, Teff, namely a fictitious average temperature that can replace the overall temperature fluctuations experienced by a packaged fresh food. The image analysis approach was found very useful for an accurate and sensitive definition of the information provided by the indicators, leading to the evidence of a very slow darkening of the sensitive region, even at −22°C. The kinetic parameterization of TTI responses was implemented in an EXCEL worksheet so as to directly evaluate Teff on the basis of a set of label brightness values acquired by image analysis. Comparing the calculated ‘effective temperature’ with the average temperature recorded with conventional devices, the reliability of the TTI tags and the accuracy of this procedure was demonstrated. Taking into account the low cost of the TTI tags, their wide usage can be suggested to monitor the various steps of the real distribution chain of a given product, namely, transport, bench and home storage. Copyright © 2001 John Wiley & Sons, Ltd.
5‐fluorouracil dimers in aqueous solution: molecular dynamics in water and continuum solvation*
Authors: Alagona Giuliano , Ghio Caterina , Monti Susanna 
Published: August 2002

AbstractThe interactions established in aqueous solution by a variety of 5‐fluorouracil (FU) dimers in water were examined to elucidate the strength of drug–solvent interactions. Molecular dynamics simulations for clusters made up of the FU dimer alone or embedded in 4, 12, and 100 waters at high temperature, followed by simulated annealing, allowed comparing the dimer structures in the different environments, the solute–solvent radial distribution functions and the cluster energetics. The statistics were consistent with those obtained from a 10 ns MD simulation in the NPT ensemble in 385 waters. Interestingly, the F atom was never preferred to O as H‐bond acceptor either in the dimer or in water. The interactions within the dimers turned out to be remarkably affected by the presence of the solvent: stacked structures, unfavorable in the gas phase, prevailed even in the presence of four water molecules. The presence of real water molecules is thus of paramount importance to stabilize the system, using molecular dynamics or, alternatively, if affordable, the MP2 level. Geometry optimizations of the clusters at the B3LYP/6‐31G* or HF/6‐31G* level, in fact, though starting from a stacked hydrated arrangement of the FU dimer, produced almost exactly the same seashell structure. The polarizable continuum model is convenient to compute the solvation free energy of the dimers and clusters at the HF or MP2 level. Also, the partial charge distribution of the clusters can profitably be used to evaluate the solvent effect in the continuum framework. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem 88: 133–146, 2002
Ligand effects and dimer formation in dicoordinated copper(I) complexes
Authors: Carvajal Angels , Liu Xiang‐Yang , Alemany Pere , Novoa Juan J. , Alvarez Santiago 
Published: August 2002

AbstractThe dimers of dicoordinated Cu(I) complexes of the type [CuXL], where X− = Cl−, Br−, I−, or CN− and L is a neutral ligand such as NH3, PH3, or CNCH3, have been studied by means of ab initio and density functional calculations. The performance of density functional calculations using the hybrid B3LYP method has been compared with MP2 results. Ligand and conformational effects are analyzed for two types of dimers, notably those in which the monomers retain their linear conformation and associate through Cu–Cu contacts and those in which the X ligands act as bridges resulting in tricoordination of each Cu atom and a rhombic Cu2X2 core. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Molecular surface electrostatic potentials in relation to noncovalent interactions in biological systems
Authors: Politzer Peter , Murray Jane S. , Peralta‐Inga Zenaida 
Published: August 2002

AbstractNoncovalent interactions are predominantly electrostatic in nature. It follows that an effective tool for their investigation and elucidation is the electrostatic potential on the molecular surface. We have shown that a variety of condensed phase macroscopic properties can be expressed quantitatively in terms of certain site‐specific and global statistical quantities that characterize the overall pattern of the surface potential. We are now extending this approach to interactions in biological systems. Several applications will be discussed, including initial qualitative studies of dioxins, a series of anticonvulsants and some tetracyclines, the nucleotide bases, and a recent quantitative treatment of the anti‐HIV activities of three groups of reverse transcriptase inhibitors. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
Software (MSPECTRA) for automatic interpretation of triacylglycerol molecular mass distribution spectra and collision induced dissociation product ion spectra obtained by ammonia negative ion chemical ionization mass spectrometry
Authors: Kurvinen J.‐P. , Rua P. , Sjövall O. , Kallio H. 
Published: August 2002

AbstractRapid analysis of molecular mass distributions of triacylglycerol (TAG) mixtures and regioisomeric structures of selected molecular mass species is possible using ammonia negative ion chemical ionization mass spectrometry utilizing sample introduction by direct exposure probe. However, interpretation of spectra and calculation of results is time consuming, thus lengthening the total analysis time. To facilitate result calculation a software package (MSPECTRA 1.3) was developed and applied to automatic processing of triacylglycerol molecular mass distribution spectra and collision induced dissociation (CID) product ion spectra. The program is capable of identifying triacylglycerol molecular mass species possessing different ACN:DB (acyl carbon number:number of double bonds) ratios on the basis of m/z values of [M − H]− ions. In addition to such identification the program also corrects spectra for abundances of naturally occurring 13C isotopes and calculates relative proportions of triacylglycerol molecular species in the analyzed samples. If several replicate spectra are processed simultaneously the program automatically calculates an average and standard deviation of relative proportions of molecular species. In the case of CID spectra the program identifies fatty acid fragment ions [RCO2]− and the corresponding [M − H − RCO2H − 100]− ions, and calculates the relative proportions of ions in both groups. These proportions are then used automatically to calculate the fatty acid combinations comprising the parent triacylglycerol molecule and the regiospecific positions of fatty acids. Processing of several replicate product ion spectra simultaneously produces averaged proportions of regioisomers comprising the parent triacylglycerol molecular species and the standard deviation of the analysis. The performance of the program was tested by analyzing triacylglycerol samples of human milk, human milk substitutes, human chylomicron and cocoa butter, and by comparing results obtained by automated processing of the data with manually calculated results. Copyright © 2001 John Wiley & Sons, Ltd.
Selective analysis of phosphopeptides within a protein mixture by chemical modification, reversible biotinylation and mass spectrometry
Authors: Adamczyk Maceij , Gebler John C. , Wu Jiang 
Published: August 2002

AbstractA new method combining chemical modification and affinity purification is described for the characterization of serine and threonine phosphopeptides in proteins. The method is based on the conversion of phosphoserine and phosphothreonine residues to S‐(2‐mercaptoethyl)cysteinyl or β‐methyl‐S‐(2‐mercaptoethyl)cysteinyl residues by β‐elimination/1,2‐ethanedithiol addition, followed by reversible biotinylation of the modified proteins. After trypsin digestion, the biotinylated peptides were affinity‐isolated and enriched, and subsequently subjected to structural characterization by liquid chromatography/tandem mass spectrometry (LC/MS/MS). Database searching allowed for automated identification of modified residues that were originally phosphorylated. The applicability of the method is demonstrated by the identification of all known phosphorylation sites in a mixture of α‐casein, β‐casein, and ovalbumin. The technique has potential for adaptations to proteome‐wide analysis of protein phosphorylation. Copyright © 2001 John Wiley & Sons, Ltd.
Structural characterisation of flavonoids and flavonoid‐O‐glycosides extracted from Genista tenera by fast‐atom bombardment tandem mass spectrometry
Authors: Borges C. , Martinho P. , Martins A. , Rauter A. P. , Ferreira M. A. Almoster 
Published: August 2002

AbstractGenista tenera is a plant native to the Madeira Island (Portugal). From the ethanol extract of its powdered aerial parts, two flavones, three isoflavones and one 7‐O‐glucosyl isoflavone were isolated. A mass spectrometric study of these compounds was performed using liquid secondary ion mass spectrometry (LSIMS) in combination with high‐energy collision‐induced dissociation (CID) and tandem mass spectrometry (MS/MS). Characteristic fragmentation patterns were observed in all the investigated compounds; the loss of small neutral species from the protonated molecules was useful for identifying the presence of specific functional groups in the A‐ and B‐rings. In order to help to establish the proposed structures, NMR and UV studies were also performed. Copyright © 2001 John Wiley & Sons, Ltd.
External interface for trap‐and‐release membrane introduction mass spectrometry applied to the detection of inorganic chloramines and chlorobenzenes in water
Authors: Riter Leah S. , Charles Laurence , Turowski Maciej , Cooks R. Graham 
Published: August 2002

AbstractConstruction and evaluation of an external configuration trap‐and‐release membrane introduction system for mass spectrometry is described. This novel interface allows independent control of the temperature of the membrane and eliminates the dependence of membrane heating efficiency on its position in the ion source. The external trap‐and‐release MIMS configuration is successfully applied to detection of inorganic chloramines and chlorobenzenes. The method is shown to give temporal resolution of volatile vs. semi‐volatile compounds, which increases its sensitivity for semi‐volatiles in the presence of volatiles and provides an additional selectivity parameter. Further selectivity is provided by tandem mass spectrometry. Copyright © 2001 John Wiley & Sons, Ltd.
In‐Situ and Ex‐Situ Bioremediation Options for Treating Perchlorate in Groundwater
Authors: Hatzinger Paul B. , Whittier M. Casey , Arkins Martha D. , Bryan Chris W. , Guarini William J. 
Published: August 2002

AbstractPerchlorate has been identified as a water contaminant in 14 states, including California, Nevada, New Mexico,
Arizona, Utah, and Texas, and current estimates suggest that the compound may affect the drinking water of as many
as 15 million people. Biological treatment represents the most‐favorable technology for the effective and
economical removal of perchlorate from water. Biological fluidized bed reactors (FBRs) have been tested
successfully at the pilot scale for perchlorate treatment at several sites, and two full‐scale FBR systems
are currently treating perchlorate‐contaminated groundwater in California and Texas. A third
full‐scale treatment system is scheduled for start‐up in early 2002. The in‐situ treatment of
perchlorate through addition of specific electron donors to groundwater also appears to hold promise as a
bioremediation technology. Recent studies suggest that perchlorate‐reducing bacteria are widely occurring in
nature, including in groundwater aquifers, and that these organisms can be stimulated to degrade perchlorate to
below the current analytical reporting limit (< 4 μg/l) in many instances. In this article,
in‐situ and ex‐situ options for biological treatment of perchlorate‐contaminated groundwater
are discussed and results from laboratory and field experiments are presented. © 2002 Wiley Periodicals,
Inc.
A Study of the Use of Alfalfa (Medicago sativa L.) for the Phytoremediation of Organic Contaminants in Soil
Authors: Chekol Tesema , Vough Lester R. 
Published: August 2002

AbstractThis article presents the results of a study that was conducted to determine the effectiveness of using
alfalfa (Medicago sativa L.) to enhance the phytoremediation of three different types
of chemical contaminants. The chemicals studied were trinitrotoluene (TNT), the polycyclic aromatic
hydrocarbon (PAH) pyrene, and the polychlorinated biphenyl (PCB) Aroclor 1248. Experiments
were conducted using soils that contained high and low organic matter content. The results indicated that
recoveries of pyrene and TNT from soil were highly dependent on the soil organic matter content, while the
recovery of PCB was not. Significantly low levels of pyrene and TNT were recovered from all treatments in the
soil with 6.3 percent organic matter content compared to recovery levels found in soil with 2.6 percent organic
matter. The presence of alfalfa plants had a significant effect on the transformation of TNT and PCB in the low
organic matter content soil only and had no effect on the fate of pyrene. In the low organic matter soil, only
15 percent and 17 percent of the initial TNT and PCB levels, respectively, were transformed in the unplanted
control soils compared to 66 percent and 77 percent in the alfalfa planted pots. In both soil types, pyrene
dissipation could not be attributed to the presence of alfalfa plants. Overall, it was concluded that under high
soil organic matter conditions, adsorption and covalent binding to the soil organic matter appeared to be the
dominant force of pyrene and TNT removal. The effectiveness of using alfalfa to enhance PCB and TNT
transformations was more significant in the lower organic matter soil; thus phytoremediation had a greater
effect in soils with lower organic matter content. © 2001 John Wiley & Sons, Inc.
Prophylaxis for CMV should not now replace pre‐emptive therapy in solid organ transplantation
Authors: Emery Vincent C. 
Published: August 2002

AbstractPre‐emptive therapy (PET) initiated on the basis of HCMV positivity in the blood using sensitive methods such as PCR, nucleic acid sequence based amplification or antigenaemia offers several advantages for the management of HCMV infection. These include the ability to target antiviral drug therapy to those most at risk of future disease, minimising drug exposure and maximising cost‐benefit. In addition, allowing limited replication to occur also provides immune stimulation which will be important for future control of HCMV replication. In contrast, prophylaxis is a high‐cost strategy which exposes all patients to potentially toxic drugs, does not facilitate immune priming and leads to the development of late HCMV infection and disease in high‐risk patients. Copyright © 2001 John Wiley & Sons, Ltd.