bluuebunny/crossref_metadata_2025_split huggingface dataset:
Proliferative activity and branching morphogenesis in the human prostate: A closer look at pre‐ and postnatal prostate growth
Authors: Xue Yong , Sonke Gabe , Schoots Coen , Schalken Jack , Verhofstad Albert , Rosette Jean de la , Smedts Frank 
Published: August 2002

AbstractBackgroundTo gain further insight into the molecular cell biologic features of prostate development, we investigated the proliferative activity of prostate epithelial and stromal cells and their topographic relationship with neuroendocrine (NE) cell distribution and regional heterogeneity.MethodsConsecutive sections from 43 prostates taken during autopsy representing fetuses (12–38 weeks of gestation), infants, prepubertal males and adults were double stained for chromogranin A and MIB‐1. MIB‐1 labeling index (LI) was calculated in the budding tips, forming acini, major collecting ducts, adjacent and non‐adjacent stromal compartments. Furthermore, the topographic relationship between proliferating cells and NE cells was evaluated.ResultsIn the first half of gestation, cell proliferation as revealed by MIB‐1 LI was significantly higher in epithelial structures and stroma than in older fetuses and other age groups. MIB‐1 LI was higher in budding tips than in other epithelial regions. MIB‐1 LI in stroma adjacent to budding tips was not higher than that adjacent to other epithelial branching segments. Co‐expression of chromogranin A and MIB‐1 staining was not observed. MIB‐1 LI was lower in cells in the direct vicinity of chromogranin A positive NE cells than at a distance from NE cells.ConclusionsProstate development in the first half of gestation is explosive. Thereafter, the prostate basically is a slow‐growing organ. Budding tips are the major growth foci during early prostate development, while stromal growth is evenly distributed throughout the prostate, probably indicating that stromal‐epithelial interactions do not manifest in enhanced proliferation at their interface. NE cells may have an inhibitory effect on proliferation of exocrine epithelial cells and are probably only associated with differentiation of prostate exocrine cells in the prostate. Prostate 49:132–139, 2001. © 2001 Wiley‐Liss, Inc.
Protein docking using a genetic algorithm
Authors: Gardiner Eleanor J. , Willett Peter , Artymiuk Peter J. 
Published: August 2002

AbstractA genetic algorithm (GA) for protein–protein docking is described, in which the proteins are represented by dot surfaces calculated using the Connolly program. The GA is used to move the surface of one protein relative to the other to locate the area of greatest surface complementarity between the two. Surface dots are deemed complementary if their normals are opposed, their Connolly shape type is complementary, and their hydrogen bonding or hydrophobic potential is fulfilled. Overlap of the protein interiors is penalized. The GA is tested on 34 large protein–protein complexes where one or both proteins has been crystallized separately. Parameters are established for which 30 of the complexes have at least one near‐native solution ranked in the top 100. We have also successfully reassembled a 1,400‐residue heptamer based on the top‐ranking GA solution obtained when docking two bound subunits. Proteins 2001;44:44–56. © 2001 Wiley‐Liss, Inc.
Successful molecular dynamics simulation of two zinc complexes bridged by a hydroxide in phosphotriesterase using the cationic dummy atom method
Authors: Pang Yuan‐Ping 
Published: August 2002

AbstractI report herein two 2.0 ns (1.0 fs time step) MD simulations of two zinc complexes bridged by a hydroxide in phosphotriesterase (PTE) employing the nonbonded method and the cationic dummy atom method that uses virtual atoms to impose orientational requirement for zinc ligands. The cationic dummy atom method was able to simulate the four‐ligand coordination of the two zinc complexes in PTE. The distance (3.39 ± 0.07Å) between two nearby zinc ions in the time‐average structure of PTE derived from the MD simulation using the cationic dummy atoms matched that in the X‐ray structure (3.31 ± 0.001Å). Unequivocally, the time‐average structure of PTE was able to fit into the experimentally determined difference electron density map of the corresponding X‐ray structure. The results demonstrate the practicality of the cationic dummy atom method for MD simulations of zinc proteins bound with multiple zinc ions. In contrast, a 2.0 ns (1.0 fs time step) MD simulation using the nonbonded method revealed a striking difference in the active site between the X‐ray structure and the time‐average structure that was unable to fit into the density map of PTE. The results suggest that caution should be used in the MD simulations using the nonbonded method. Proteins 2001;45:183–189. © 2001 Wiley‐Liss, Inc.
Revisiting the structural flexibility of the complex p21ras‐GTP: The catalytic conformation of the molecular switch II
Authors: Soares T.A. , Miller J.H. , Straatsma T.P. 
Published: August 2002

AbstractThe hydrolysis of GTP in p21ras triggers conformational changes that regulate the ras/ERK signaling pathway. An important active site residue is Gln61, which has been found to be mutated in 30% of human tumors. The dynamics of the active site conformation is studied by using molecular dynamics simulation of two independent structures of the GTP‐bound uncomplexed enzyme. Two distinct conformations of the enzyme are observed, in which the side‐chain residue Gln61 is in different orientations. Essential dynamics analysis is used to describe the essential motions in the transition between the two conformations. Results are compared with earlier simulations of p21ras and its complex with GTPase activating protein p21‐GAP. Proteins 2001;45:297–312. © 2001 Wiley‐Liss, Inc.
Insect growth inhibition, antifeedant and antifungal activity of compounds isolated/derived from Zingiber officinale Roscoe (ginger) rhizomes
Authors: Agarwal Manjree , Walia Suresh , Dhingra Swaran , Khambay Bhupinder P S 
Published: August 2002

AbstractFresh rhizomes of Zingiber officinale (ginger), when subjected to steam distillation, yielded ginger oil in which curcumene was found to be the major constituent. The thermally labile zingiberene‐rich fraction was obtained from its diethyl ether extract. Column chromatography of ginger oleoresin furnished a fraction from which [6]‐gingerol was obtained by preparative TLC. Naturally occurring [6]‐dehydroshogaol was synthesised following condensation of dehydrozingerone with hexanal, whereas zingerone and 3‐hydroxy‐1‐(4‐hydroxy‐3‐methoxyphenyl)butane were obtained by hydrogenation of dehydrozingerone with 10% Pd/C. The structures of the compounds were established by 1H NMR, 13C NMR and mass (EI‐MS and ES‐MS) spectral analysis. The test compounds exhibited moderate insect growth regulatory (IGR) and antifeedant activity against Spilosoma obliqua, and significant antifungal activity against Rhizoctonia solani. Among the various compounds, [6]‐dehydroshogaol exhibited maximum IGR activity (EC50 3.55 mg ml −1) while dehydrozingerone imparted maximum antifungal activity (EC50 86.49 mg litre−1).© 2001 Society of Chemical Industry
Ethyl cellulose polymer microspheres for controlled release of norfluazon
Authors: Pérez‐Martínez Jose I , Morillo Esmeralda , Maqueda Celia , Ginés Juan M 
Published: August 2002

AbstractThe pesticide norfluazon has been microencapsulated using ethyl cellulose to develop controlled‐release formulations that decrease its mobility through the soil and protect it from photodegradation. Ethyl cellulose microspheres loaded with norfluazon were prepared by the solvent‐evaporation method. To obtain the microspheres, certain conditions (pesticide/polymer ratio, percentage of emulsifying agent and solvent) were varied. The shape and size of the microspheres obtained were studied by scanning electron microscopy. Other parameters, such as solids recovery, encapsulation efficiency and pesticide loading, were also studied. The release rate of norfluazon from the different microspheres was slower than that of pure norfluazon. In particular, microspheres obtained with o‐xylene, which provided the largest diameter, retarded the initial release of the pesticide relative to microspheres obtained with chloroform, or to pure norfluazon. Moreover, the studies showed that the pesticide/polymer ratio controlled the release of norfluazon, which was slower when this ratio was low. Release rates conformed to a generalised kinetic equation for a diffusion‐controlled release mechanism, and the time taken for 50% of the active ingredient to be released into water, t50, was calculated.© 2001 Society of Chemical Industry
Chemistry and biology of thiamethoxam: a second generation neonicotinoid
Authors: Maienfisch Peter , Angst Max , Brandl Franz , Fischer Willi , Hofer Dieter , Kayser Hartmut , Kobel Werner , Rindlisbacher Alfred , Senn Robert , Steinemann Adrian , Widmer Hansjürg 
Published: August 2002

AbstractThiamethoxam is the first commercial neonicotinoid insecticide from the thianicotinyl subclass. It was discovered in the course of our optimisation program on neonicotinoids started in 1985. Novel variations of the nitroimino‐heterocycle of imidacloprid led to 4‐nitroimino‐1,3,5‐oxadiazinanes exhibiting high insecticidal activity. Among these, thiamethoxam (CGA 293433) was identified as the best compound and selected for worldwide development. The compound can be synthesised in only a few steps and high yield from easily accessible starting materials. Thiamethoxam acts by binding to nicotinic acetylcholine receptors. It exhibits exceptional systemic characteristics and provides excellent control of a broad range of commercially important pests, such as aphids, jassids, whiteflies, thrips, rice hoppers, Colorado potato beetle, flea beetles and wireworms, as well as some lepidopteran species. In addition, a strong preventative effect on some virus transmissions has been demonstrated. Thiamethoxam is developed both for foliar/soil applications and as a seed treatment for use in most agricultural crops all over the world. Low use rates, flexible application methods, excellent efficacy, long‐lasting residual activity and favourable safety profile make this new insecticide well‐suited for modern integrated pest management programmes in many cropping systems.© 2001 Society of Chemical Industry
Sex‐related response to organophosphorus and carbamate insecticides in adult Oriental fruit moth, Grapholita molesta
Authors: Shearer Peter W , Usmani Khawja A 
Published: August 2002

AbstractDuring the development of a resistance‐monitoring bioassay that uses males as the life‐stage tested, the relationship of adult female and male susceptibility of Grapholita molesta to different classes of insecticides was investigated. Preliminary results indicated that more males survived diagnostic doses of azinphos‐methyl than females. Additional research revealed that, although the body mass of adult male G molesta was only 69% of that of female moths (5.67 and 8.20 mg, respectively), their LC50 values were 2.6, 4.1 and 10.3 times higher than those of females for azinphos‐methyl, malathion and parathion‐methyl, respectively. However, female G molesta moths were more tolerant to methomyl than were male moths. There was no indication that this sex‐related response occurred in G molesta larvae. The results presented here raise concerns regarding the use of pheromone traps for determining whether insecticide treatments are required and as part of resistance monitoring programs.© 2001 Society of Chemical Industry
A field tracer study of attenuation of atrazine, hexazinone and procymidone in a pumice sand aquifer
Authors: Pang Liping , Close Murray E 
Published: August 2002

AbstractA field tracer experiment, simulating point source contamination, was conducted to investigate attenuation and transport of atrazine, hexazinone and procymidone in a volcanic pumice sand aquifer. Preliminary laboratory incubation tests were also carried out to determine degradation rates. Field transport of the pesticides was observed to be significant under non‐equilibrium conditions. Therefore, a two‐region/two‐site non‐equilibrium transport model, N3DADE, was used for analysis of the field data. A lump reduction rate constant was used in this paper to encompass all the irreversible reduction processes (eg degradation, irreversible adsorption, complexation and filtration for the pesticides adsorbed into particles and colloids) which are assumed to follow a first‐order rate law. Results from the field experiment suggest that (a) hexazinone was the most mobile (retardation factor R  = 1.4) and underwent least mass reduction; (b) procymidone was the least mobile (R  = 9.26) and underwent the greatest mass reduction; (c) the mobility of atrazine (R  = 4.45) was similar to that of rhodamine WT (R  = 4.10). Hence, rhodamine WT can be used to delimit the appearance of atrazine in pumice sand groundwater. Results from the incubation tests suggest that (a) hexazinone was degraded only in the mixture of groundwater and aquifer material (degradation rate constant = 4.36 × 10−3 day−1); (b) procymidone was degraded not only in the mixture of groundwater and aquifer material (rate constant = 1.12 × 10−2 day−1) but also in the groundwater alone (rate constant = 2.79 × 10−2 day−1); (c) atrazine was not degraded over 57 days incubation in either the mixture of aquifer material and groundwater or the groundwater alone. Degradation rates measured in the batch tests were much lower than the total reduction rates. This suggests that not only degradation but also other irreversible processes are important in attenuating pesticides under field conditions. Hence, the use of laboratory‐determined degradation rates could underestimate reduction of pesticides in field conditions.© 2001 Society of Chemical Industry
Effect of surface material on electrostatic charging of houseflies (Musca domestica L)
Authors: McGonigle Daniel F , Jackson Chris W 
Published: August 2002

AbstractHouseflies (Musca domestica L) accumulated electrostatic charges when walking over clean, uncharged dielectric surfaces. The charges elicited on a walking housefly by a range of materials were quantified, allowing a triboelectric series to be determined relative to M domestica. This ranged from surfaces that charged individuals positively, eg Correx (corrugated polypropylene) [+54.1 (±4.2)pC], to those that applied a negative charge, eg clear cast acrylic [−14.9 (±2.9)pC]. Maximum positive and negative charges accumulated by individual M domestica were +73 and −27 pC. Replicate measurements on the same fly and surface showed little variation. Variation between individuals was not related to sex and was not consistent between surfaces. Different materials charged M domestica significantly differently and individual flies had significantly different charging properties. Variation in temperature between 21.3 °C and 24.7 °C and humidity between 24% and 41% RH significantly affected charge accumulated by M domestica on some surfaces, although further experimentation is needed to confirm this. The implications of this work are discussed in relation to insect trap design and pollination biology.© 2002 Society of Chemical Industry
The effects of charge and lipophilicity on the antibacterial activity of undecapeptides derived from bovine lactoferricin
Authors: Strøm Morten B. , Rekdal Øystein , Svendsen John S. 
Published: August 2002

AbstractWe have investigated the effects of charge and lipophilicity on the antibacterial activity of an undecapeptide (FKCRRWQWRMK) derived from the sequence of bovine lactoferricin. We prepared ten analogues that were modified by the incorporation of Ala, Tyr, Trp, Met and Arg residues, which are amino acids known to be important for the antibacterial activity of longer derivatives of lactoferricins. All undecapeptides contained the native Trp residues in positions 6 and 8, and the Arg residues in positions 5 and 9. Generally, the Gram‐positive bacterium Staphylococcus aureus was more susceptible to these undecapeptides than the Gram‐negative bacteria, and a higher antibacterial activity was observed against Escherichia coli than against Pseudomonas aeruginosa. The only exception was the peptide Undeca 9 (RRWYRWAWRMR‐NH2), which was almost equally active against all three test strains, displaying minimal inhibitory concentrations of 10 µg/ml (5.8 µM), 7.5 µg/ml (4.4 µM) and 5 µg/ml (2.9 µM) against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus, respectively. The peptides Undeca 6 (YRAWRWAWRWR‐NH2) and Undeca 7 (YRMWRWAWRWR‐NH2) were the two most active undecapeptides against Staphylococcus aureus, both displaying a minimal inhibitory concentration of 2.5 µg/ml (1.5 µM). The study showed that a level was reached in which undecapeptides having a net charge above +4 and containing three or four Trp residues all displayed a high antibacterial activity. All undecapeptides prepared were essentially non‐haemolytic, but undecapeptides containing more than three Trp residues displayed 50% haemolysis of human red blood cells at concentrations above 400 µg/ml (>230 µM). Copyright © 2002 European Peptide Society and John Wiley & Sons, Ltd.
Antiinflammatory activity of the antirheumatic herbal drug, gravel root (Eupatorium purpureum): further biological activities and constituents
Authors: Habtemariam Solomon 
Published: August 2002

AbstractPrevious reports from this laboratory revealed that cistifolin from the antirheumatic herbal drug, gravel root (rhizome of Eupatorium purpureum), showed activity both in in vitro and in vivo models of inflammation. Data are now presented to show that, in addition to the LFA‐1 and other integrin‐mediated leucocyte adhesions, cistifolin inhibits the Mac‐1 (CD11b/CD18)‐dependent monocyte adhesion to fibrinogen in a concentration‐dependent manner. Further phytochemical analysis of the crude extract also led to the isolation of three known benzofurans, euparin, euparone, 6‐hydroxy‐3β‐methoxytrematone and a new benzofuran, 5‐acetyl‐6‐hydroxy‐2‐(1‐oxo‐2‐acetoxy‐ethyl)‐benzofuran. None of these compounds were active in suppressing integrin‐mediated monocytic U937 cell adhesions in vitro. Copyright © 2001 John Wiley & Sons, Ltd.
Efficacy and tolerance of Harpagophytum extract LI 174 in patients with chronic non‐radicular back pain
Authors: Laudahn Dirk , Walper Andreas 
Published: August 2002

AbstractThe aim of this open, multicentre study was to evaluate the clinical effectiveness and tolerance of the Devil's Claw extract LI 174 in patients suffering from non‐radicular back pain over a period of at least 6 months. A total of 130 patients were treated twice a day with tablets containing 480 mg LI 174. The treatment lasted for 8 weeks. The effectiveness was judged according to the Multidimensional Pain Scale (MPS), Arhus back pain index and to parameters evaluating the mobility of the lumbar spine (finger–floor distance, Schober's sign). Data from 117 patients were evaluated for efficacy. The results showed a significant improvement of pain symptoms and mobility of the affected sections of the patient's spine in the course of treatment. No serious side effects were observed. In view of the excellent compliance and tolerability the investigated extract appears to be an effective plant alternative for the treatment of chronic back pain. However, further studies will be needed to clarify the therapeutic value of this plant remedy. Copyright © 2001 John Wiley & Sons, Ltd.
Influence of Active Packaging on the Shelf‐life­ of Minimally Processed Fish Products in a Modified Atmosphere
Authors: Franzetti Laura , Martinoli Stefano , Piergiovanni Luciano , Galli Antonietta 
Published: August 2002

AbstractThe effectiveness of an innovative foam plastic tray, provided with absorbers for volatile amines and liquids, on the shelf‐life of different fish products packed under a modified atmosphere (40%CO2:60%N2), was evaluated in comparison with a standard tray. Fillets of sole (Solea solea), steaks of cod (Merluccius merluccius) and whole cuttlefish (Sepia fillouxi), placed in the two different kinds of trays, were kept at 3°C. Microbiological (TBC‐, Gram‐negative‐, H2S‐producing bacteria and lactic acid bacteria) and chemical (surface pH, TMA headspace) analyses were carried out after 3, 7 and 10 days of storage. The new packaging, associated with a rigorous control of storage temperature, increased the shelf‐life up to 10 days. In fact, the innovative tray sequestrated the greater part of trimethylamine from the headspace and led to delayed microbial growth, especially of Gram‐negative and H2S‐producing bacteria, and in addition it favoured the growth of bacterial strains such as Moraxella phenylpiruvica, which are not involved in off‐flavouring production (especially H2S), because of their lypolitic activity. Copyright © 2001 John Wiley & Sons, Ltd.
A CCC‐r chart for high‐yield processes
Authors: Ohta Hiroshi , Kusukawa Etsuko , Rahim Abdur 
Published: August 2002

AbstractThe cumulative count of a conforming (CCC) chart is used to monitor high‐quality processes and is based on the number of items inspected until observing r non‐conforming ones. This charting technique is known as a CCC‐r chart. The function of the CCC‐r chart is the sensitive detection of an upward shift in the fraction defectives of the process, p. As r gets larger, the CCC‐r chart becomes more sensitive to small changes of upward shift in p. However, since many observations are required to obtain a plotting point on the chart, the cost is fairly high. For this trade‐off problem it is necessary to determine the optimal number of non‐conforming items observed before a point is plotted, the sampling (inspection) interval, and the lower control limit for the chart. In this paper a simplified optimal design method is proposed. For illustrative purposes, some numerical results for the optimal design parameter values are provided. The expected profits per cycle obtained using the proposed optimal design method are compared with those obtained using other misspecified parameter values. The effects of changing these parameters on the profit function are shown graphically. Copyright © 2001 John Wiley & Sons, Ltd.
Efficient method to perform CAP/CI calculations for temporary anions
Authors: Sommerfeld Thomas , Santra Robin 
Published: August 2002

AbstractElectronically metastable states can efficiently be investigted using ℒ︁2 techniques, such as the complex absorbing potential (CAP) or the stabilization method; but, the study of autodetaching systems is nonetheless far more expensive than the investigation of comparable bound states. The costly step of the ℒ︁2 methods for resonances involves the repeated diagonalization of a parameterized Hamilton operator, and in this communication we investigate representations of the needed operators in very small basis set consisting of a few eigenstates of the physical Hamiltonian. It is shown that CAP calculations can indeed be performed using a very small eigenstate basis set, whereas basis sets of comparable size are unsuitable for stabilization calculations. Our results allow us to study the frequently employed energy selection procedure in the context of Siegert energies. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 82: 218–226, 2001