bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reconstitution of dune morphologies and palaeowind regimes in the Proto-Namib since the Miocene
Authors: Segalen Loïc , Rognon Pierre , Pickford Martin , Senut Brigitte , Emmanuel Laurent , Renard Maurice , Ward John 
Published: June 2005

Abstract
In the Namib Desert, indurated fossil dunes are found between the active sands. Establishment of a biostratigraphic scale based on associated mammal faunas and ratite eggshells allows the study of palaeowind fluctuations that have controlled these palaeodunes since the Middle Miocene with a temporal resolution of between 1 and 3 Ma. In the southern Namib, the Proto-Namib aeolian systems consist of crescent dunes (barkhan type). In the eastern part of the Namib Desert, the aeolianite cross-bedding corresponds to longitudinal or pyramidal dunes. These aeolian structures are also controlled by local winds, resulting from high relief and the southern trade winds : this regime is identical to that which currently sweeps, through the Namib Desert, and is related to the presence of anticyclonic conditions in the Atlantic Ocean. A regime of seasonal winds from the northeastern sector is also recorded starting in the late Miocene.
Stochastic Modeling of Diffuse Pesticide Losses from a Small Agricultural Catchment
Authors: Lindahl Anna M. L. , Kreuger Jenny , Stenström John , Gärdenäs Annemieke I. , Alavi Ghasem , Roulier Stéphanie , Jarvis Nicholas J. 
Published: June 2005

ABSTRACTThe objective of this study was to identify the main sources of variation in pesticide losses at field and catchment scales using the dual permeability model MACRO. Stochastic simulations of the leaching of the herbicide MCPA (4‐chloro‐2‐methylphenoxyacetic acid) were compared with seven years of measured concentrations in a stream draining a small agricultural catchment and one year of measured concentrations at the outlet of a field located within the catchment. MACRO was parameterized from measured probability distributions accounting for spatial variability of soil properties and local pedotransfer functions derived from information gathered in field‐ and catchment‐scale soil surveys. At the field scale, a single deterministic simulation using the means of the input distributions was also performed. The deterministic run failed to reproduce the summer outflows when most leaching occurred, and greatly underestimated pesticide leaching. In contrast, the stochastic simulations successfully predicted the hydrologic response of the field and catchment and there was a good resemblance between the simulations and measured MCPA concentrations at the field outlet. At the catchment scale, the stochastic approach underestimated the concentrations of MCPA in the stream, probably mostly due to point sources, but perhaps also because the distributions used for the input variables did not accurately reflect conditions in the catchment. Sensitivity analyses showed that the most important factors affecting MACRO modeled diffuse MCPA losses from this catchment were soil properties controlling macropore flow, precipitation following application, and organic carbon content.
Phosphorus Concentrations in Overland Flow from Diverse Locations on a New York Dairy Farm
Authors: Hively W. Dean , Bryant Ray B. , Fahey Timothy J. 
Published: June 2005

ABSTRACTThe National Phosphorus Project rainfall simulator was used to quantify overland flow and P transport from nine sites distributed throughout the watershed of a New York City Watershed Agriculture Program collaborating dairy farm. Observed concentrations of total dissolved phosphorus (TDP) were low (0.007–0.12 mg L−1) in flow from deciduous forest, extensively managed pasture, and hillside seeps; moderate (0.18–0.64 mg L−1) in flow from intensively managed pastures, a hayfield, and a cow path; and extremely high (11.6 mg L−1) in flow from a manured barnyard. Concentrations of TDP from sites without fresh manure were strongly correlated with soil test P (TDP [mg L−1] = 0.0056 + 0.0180 × Morgan's soil test phosphorus [STP, mg kg−1]; R2 = 84%). Observed concentrations of suspended solids were low (16–137 mg L−1) in flow from vegetated sites, but were higher (375–615 mg L−1) in flow from sites with little ground cover (barnyard, cow path, plowed field). Under dry summer conditions the time to observed overland flow was shorter (<18 min) for nonfield areas (seeps, barnyard, cow path) than for field and forest areas (27–93 min), indicating that hydrologically active nonfield areas of minor spatial extent but with high soil P (e.g., cow paths and barnyards) can play a significant role in summertime P loading. When soils started from field capacity (second‐day) time to overland flow was uniformly less than 23 min, indicating that under wet watershed conditions low‐P source areas can dilute overland flow from concentrated sources.
Reciprocal Mutations in TM2/TM3 in a D2 Dopamine Receptor Background Confirms the Importance of this Microdomain as a Selective Determinant of Para‐Halogenated 1,4‐Disubstituted Aromatic Piperazines
Authors: Floresca Christina Z. , Chen Shiuhwei , Kortagere Sandhya , Schetz John A. 
Published: June 2005

AbstractWe recently demonstrated that in the D4 dopamine receptor the aromatic microdomain that spans the interface of the second and third transmembrane (TM) domains influences the high affinity interactions of extremely D4‐selective ligands possessing a 1,4‐disubstituted aromatic piperazine/piperidine (1,4‐DAP) structure. On the basis of their substructural features and patterns of sensitivity to mutations constructed in a D4 receptor background, the D4‐selective 1,4‐DAPs were categorized as having two distinct modes of binding that we named mode‐1 and mode‐3 [1]. Here we extend these findings of the ligand‐receptor structure‐affinity relationships for some of these highly D4‐selective 1,4‐DAPs by measuring the effect of the corresponding reciprocal TM2/TM3 mutations constructed in a D2 dopamine receptor background on the binding affinity of the para‐halogenated mode‐1 ligands L750,667 and FAUC213. The results indicate that the D2‐V2.61F+FV3.28‐3.29LM mutant binds L750,667 and FAUC213 with significantly increased affinity, i.e., its binding profile becomes more D4‐like. These findings further support the assignment of the TM2/TM3 aromatic microdomain encompassing positions 2.61 and 3.28‐3.29 as a 1,4‐DAP D4‐selectivity microdomain and highlights the importance of the precise emplacement of aromatics in this microdomain as key to the selective molecular recognition of L750,667 and FAUC213.
Chirospecific and Subtype Selective Dopamine Receptor Binding of Heterocyclic Methoxynaphthamide Analogs
Authors: Bettinetti Laura , Hübner Harald , Gmeiner Peter 
Published: June 2005

AbstractEmploying the D3 and D4 selective methoxynaphthalines nafadotride and FAUC 182, respectively, as lead compounds, the pyrazolo[1,5‐a]pyridine‐3‐carboxamides of type 1a and 2a as well as their 2‐substituted regioisomers 1b and 2b were synthesized when following an ex‐chiral pool approach. Dopamine receptor binding studies involving the target compounds (1a,b, 2a,b) and the respective optical antipodes ent‐1a,b and ent‐2a,b revealed the heterocyclic carboxamide 2a as a strong and selective D4 ligand (Ki = 8.6 nM). According to a mitogenesis assay, 2a shows D4 partial agonist effects (29%, EC50 = 6.7 nM) and, thus, might be of interest for the treatment of sexual dysfunction.
Delineation of Receptor‐Ligand Interactions at the Human Histamine H1 Receptor by a Combined Approach of Site‐Directed Mutagenesis and Computational Techniques – or – How to Bind the H1 Receptor
Authors: Jongejan Aldo , Leurs Rob 
Published: June 2005

AbstractHistamine H1 antagonists or “antihistamines” are one of the most prescribed drug families in Western countries. They exert their effect by binding to the histamine H1 receptor, a receptor belonging to the class of rhodopsin‐like G protein‐coupled receptors (GPCRs). In this review, the binding of ligands to the human histamine H1 receptor with respect to site‐directed mutagenesis studies and molecular modeling techniques is described. The ligands described include agonists (histamine and histapro difens), a stereoselective partial agonist (lisuride), and selected inverse agonists (mepyramine, acrivastine and triprolidine).
Postnatal development of rat pups after maternal exposure to diethanolamine
Authors: Price Catherine J. , Marr Melissa C. , Myers Christina B. , Jahnke Gloria D. 
Published: June 2005

AbstractBACKGROUND: Diethanolamine (DEA), a widely used surfactant, was administered to pregnant mice at the oral LD10 resulting in failure of pups to grow and thrive through postnatal day (PND) 3 [National Toxicology Program, 1987; York et al., Teratology 37:503–504, 1988]. The toxicity profile for DEA differs among rodent species. This study investigated DEA‐induced postnatal toxicity in a second species. METHODS: Timed‐mated Sprague‐Dawley rats were dosed (0, 50, 125, 200, 250, or 300 mg DEA/kg/day, p.o.) on gestational days (GD) 6–19. Dams and pups were monitored for body weight, feed/water intake, clinical signs, litter size, and sex ratio. At necropsy (PND 21), maternal liver and kidney weights and number of uterine implantation sites were recorded. RESULTS: The high‐dose group was terminated early due to excessive toxicity. The estimated maternal LD10 was 218 mg/kg/day. Maternal effects included decreased body weight and relative feed intake (≥200 mg/kg/day), transiently reduced relative water intake (125 and 250 mg/kg/day), and increased absolute kidney weight (≥125 mg/kg/day). Postimplantation loss (PND 0) and pup mortality (PND 0–4) were increased (≥200 and ≥125 mg/kg/day, respectively). Pup body weight was reduced (≥200 mg/kg/day) as late as PND 21. CONCLUSIONS: This study demonstrates reduced postnatal growth and survival in a second species after gestational exposure to DEA, persistence of toxic effects through the end of lactation, possibly due to long elimination half‐life, and maternal and developmental toxicity no‐observed‐adverse‐effect level (NOAELs) (50 mg/kg/day) and lowest‐observed‐adverse‐effect level (LOAELs) (125 mg/kg/day) for oral DEA exposure during embryo/fetal development in the rat. Birth Defects Res B 74:243–254, 2005. © 2005 Wiley‐Liss, Inc.
Prior exposure to indole‐3‐carbinol decreases the incidence of specific cyclophosphamide‐induced developmental defects in mice
Authors: Bailey Melissa M. , Sawyer Robert D. , Behling Jeremy E. , Boohaker Jonathan G. , Hicks Justin G. , O'Donnell Molly A. , Stringer Kelli R. , Rasco Jane F. , Hood Ronald D. 
Published: June 2005

AbstractBACKGROUND: Indole‐3‐carbinol (I3C) is a product of the hydrolysis of glucobrassicin that is found in cruciferous vegetables. I3C can intervene in toxic processes that are mediated by oxidative mechanisms because it possesses the chemical and pharmacokinetic properties necessary to provide a free radical trap. Cyclophosphamide (CP) is a bifunctional alkylating agent known to produce DNA damage and to cause developmental toxicity, including malformations, in laboratory animals. METHODS: Pregnant CD‐1 mice were given a 100 mg/kg dose of I3C 24 or 48 hr before administration of 20 mg/kg CP on gestation day 10 (GD 10). Controls were given the vehicle (DMSO), I3C, or CP. This regimen was carried out to determine if I3C could protect against the developmental toxicity of alkylating agents, such as CP. Dams were sacrificed on GD 17 and their litters were examined for adverse effects. RESULTS: Treatment with I3C 48 hr before CP administration was associated with decreased fetal limb and tail malformations. Limb malformation incidences were reduced from 42% litters affected in the CP control to 16% in the I3C/CP 48‐hr treatment group, and tail malformations were reduced from 45% in the CP control to 16% in the I3C/CP 48‐hr treatment group, indicating a protective effect of prior exposure to I3C. I3C given 24 hr before CP had no significant protective effect, while having an apparently adverse consequence with regard to the incidence of talipes. CONCLUSIONS: Exposure of a developing mammal to indole‐3‐carbinol before exposure to cyclophosphamide during organogenesis can influence the teratogenicity of cyclophosphamide. Birth Defects Res B. 74:261–267, 2005. © 2005 Wiley‐Liss, Inc.
Effects of hyperthermia and boric acid on skeletal development in rat embryos
Authors: Harrouk Wafa A. , Wheeler Kellylynn E. , Kimmel Gary L. , Hogan Karen A. , Kimmel Carole A. 
Published: June 2005

AbstractBACKGROUND: The individual effects of boric acid (BA) and hyperthermia on the development of the axial skeleton have been reported previously. Both cause an increased incidence of axial skeletal defects including a decrease in the total number of ribs and vertebrae. Because of the similarity in the effects of the two agents, we examined their interaction when given in combination to pregnant rats on gestational day (GD) 10. METHODS: Dams were treated on GD 10 with BA (0, 250, or 500 mg/kg) and hyperthermia (37, 41, or 42°C) and allowed to deliver their pups. Doses of BA were based on results from a dose‐finding study. Litters were evaluated on postnatal days (PND) 1 and 3 for number, gender, and weight of pups. On PND3, pups were examined externally and viscerally, and double‐stained for skeletal evaluation. RESULTS: A dose‐dependent, statistically significant increase in fetal skeletal defects was seen on PND 3 with BA or hyperthermia alone with even greater effects when given in combination. Defects included rib and vertebral fusions, split vertebral centra in the thoracic and lumbar areas, and a decrease in the total number of ribs and vertebrae. CONCLUSIONS: The increased incidence of skeletal defects resulting from combined exposure to hyperthermia and BA was additive for segmentation defects and synergistic for the reduction in numbers of vertebrae. Birth Defects Res B 74:268–276, 2005. Published 2005 Wiley‐Liss, Inc.
Cartilage formation in growth plate and arteries: from physiology to pathology
Authors: Magne D. , Julien M. , Vinatier C. , Merhi‐Soussi F. , Weiss P. , Guicheux J. 
Published: June 2005

AbstractVascular calcifications are the consequence of several pathological conditions such as atherosclerosis, diabetes, hypercholesterolemia and chronic renal insufficiency. They are associated with risks of amputation, ischemic heart disease, stroke and increased mortality. A growing body of evidence indicates that vascular smooth muscle cells (VSMCs) undergo chondrogenic commitment eventually leading to vascular calcification, by mechanisms similar to those governing ossification in the cartilage growth plate. Our knowledge of the formation of cartilage growth plate can therefore help us to understand why and how arteries calcify and, consequently, develop new therapeutic strategies. Reciprocally, thorough consideration of the events leading to ectopic chondrocyte differentiation appears crucial to further increase our understanding of growth plate formation. In this context, we will review the effects of known or suspected factors that promote chondrogenic differentiation in growth plate and arteries. BioEssays 27:708–716, 2005. © 2005 Wiley Periodicals, Inc.
Chromosome chains and platypus sex: kinky connections
Authors: Ashley Terry 
Published: June 2005

AbstractMammal sex determination depends on an XY chromosome system, a gene for testis development and a means of activating the X chromosome. The duckbill platypus challenges these dogmas.1,2 Gutzner et al.1 find no recognizable SRY sequence and question whether the mammalian X was even the original sex chromosome in the platypus. Instead they suggest that the original platypus sex chromosomes were derived from the ZW chromosome system of birds and reptiles. Unraveling the puzzles of sex determination and dosage compensation in the platypus has been complicated by the fact that it has a surplus of sex chromosomes. Rather than a single X and Y chromosome, the male platypus has five Xs and five Ys. BioEssays 27:681–684, 2005. © 2005 Wiley Periodicals, Inc.
Does a delay in external beam radiation therapy after tissue diagnosis affect outcome for men with prostate carcinoma?
Authors: Andrews Stephen F. , Horwitz Eric M. , Feigenberg Steven J. , Eisenberg Debra F. , Hanlon Alexandra L. , Uzzo Robert G. , Pollack Alan 
Published: June 2005

AbstractBACKGROUNDPhysicians involved in the care of men diagnosed with prostate carcinoma must assess the urgency of treatment. For those men who choose external beam radiation therapy (EBRT), the delay from the time of biopsy to treatment may be stressful. There are limited data on the consequences of radiation treatment delay. The purpose of the current study was to evaluate the effect of time to treatment (TTT) on outcomes.METHODSThe authors of the current study analyzed 1322 patients who were treated with EBRT alone. Overall survival (OS), cause specific survival (CSS), distant metastasis (DM), and freedom from biochemical failure (FFBF) were calculated. TTT was first analyzed at 4 intervals: < 3, 3–6, 6–9 and > 9 months, and at the median TTT. Cox multivariate analysis (MVA) was then performed with 2002 American Joint Commission on Cancer T‐stage, Gleason score, prostate specific antigen (PSA), radiation dose, and TTT as covariates.RESULTSThere were no statistical differences in OS, CSS, DM, or FFBF among men whose EBRT began < 3, 3–6, 6–9, or > 9 months after diagnosis. This was also true at the median TTT of 3.1 months. A subgroup analysis was performed in which patients were stratified into low‐, intermediate‐ and high‐risk groups based on pretreatment PSA, Gleason score and AJCC T‐stage. FFBF, and DM were calculated above and below the median TTT of 3.1 months. In this analysis, there was no statistically significant difference in FFBF or DM within the risk groups.CONCLUSIONSWithin the limits of the current study, data indicate that a treatment delay, even in high‐risk patients, has little effect on clinical or biochemical outcome. Cancer 2005. © 2005 American Cancer Society.
Investigation of Ethylene Dimerization over Faujasite Zeolite by the ONIOM Method
Authors: Namuangruk Supawadee , Pantu Piboon , Limtrakul Jumras 
Published: June 2005

AbstractEthylene dimerization was investigated by using an 84T cluster of faujasite zeolite modeled by the ONIOM3(MP2/6‐311++G(d,p):HF/6‐31G(d):UFF) method. Concerted and stepwise mechanisms were evaluated. In the stepwise mechanism, the reaction proceeds by protonation of ethylene to form the surface ethoxide and then CC bond formation between the ethoxide and the second ethylene molecule to give the butoxide product. The first step is rate‐determining and has an activation barrier of 30.06 kcal mol−1. The ethoxide intermediate is rather reactive and readily reacts with another ethylene molecule with a smaller activation energy of 28.87 kcal mol−1. In the concerted mechanism, the reaction occurs in one step of simultaneous protonation and CC bond formation. The activation barrier is calculated to be 38.08 kcal mol−1. Therefore, the stepwise mechanism should dominate in ethylene dimerization.
A New, Expeditious Entry to the Benzophenanthrofuran Framework by a Pd‐Catalyzed C‐ and O‐Arylation/PIFA‐Mediated Oxidative Coupling Sequence
Authors: Churruca Fátima , SanMartin Raul , Tellitu Imanol , Domínguez Esther 
Published: June 2005

AbstractThe synthesis of a series of 2,3‐diarylbenzo[b]furans starting from 1,2‐diarylethanones and 1,2‐dibromoarenes proceeds by means of both homogeneous and polymer‐anchored palladium catalysts. This tandem process can be effectively halted at the C‐arylation step, thus providing key o‐bromoarylated deoxybenzoin intermediates in good yields. The efficient oxidative coupling leading to benzo[b]phenanthro[9,10‐d]furans is carried out using the safer hypervalent iodine reagent PIFA. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
The Formation of Silylated β‐Lactams from Silylketenes through Lewis Acid Promoted [2+2] Cycloaddition: A Combined Theoretical and Experimental Study
Authors: Pelotier Béatrice , Rajzmann Michel , Pons Jean‐Marc , Campomanes Pablo , López Ramón , Sordo Tomás L. 
Published: June 2005

AbstractThe stereoselective formation of silylated cis‐β‐lactams from (trimethylsilyl)ketene and an α‐imino ester by Lewis acid catalysis is described. Theoretical results suggest that the reaction between (trimethylsilyl)ketene and trans‐(methoxycarbonyl)‐N‐methylformaldimine would proceed most favourably with the BF3 catalyst coordinated to the ketene. Moreover, the calculated energy barriers account for the cis:trans ratio found experimentally. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Monatin, Its Stereoisomers and Derivatives: Modeling the Sweet Taste Chemoreception Mechanism
Authors: Bassoli Angela , Borgonovo Gigliola , Busnelli Gilberto , Morini Gabriella , Merlini Lucio 
Published: June 2005

AbstractThe sweet natural compound monatin 1 has two stereogenic centers, and the 2S,4S absolute configuration has been attributed previously to the natural isomer. Among the four stereoisomers of monatin, three of them, particularly the 2R,4R isomer, tastes intensely sweet. The conformations of the four compounds have been studied by means of molecular modelling techniques. Both the diastereoisomeric forms show strong intramolecular hydrogen bonds which involve different functional groups and give rise to two different minimum energy conformations. The tertiary alcohol group in monatin seems to be indirectly involved in the generation of the taste, acting as an important contraint in generating the active conformation. The most important glucophores have been identified in the terminal –NH3+ and –COO– groups and in the indole ring by comparison with known topological models of sweet compounds and through the synthesis of appropriate derivatives in which some of these groups are lacking or modified. The relative affinity of each stereoisomer for its putative sweet taste receptor has been estimated semiquantitatively with the pseudoreceptor modelling technique. The predicted activity calculated with this technique is in good agreement with the experimental data and explains why the 2R,4R isomer (and not the natural 2S,4S isomer) is the sweetest of the series. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Dihydroaromatic Boronic Esters as Building Blocks for the Synthesis of Phenanthrenes and Phenanthridines
Authors: Hilt Gerhard , Hess Wilfried , Schmidt Frank 
Published: June 2005

AbstractAlkenyl‐substituted dihydroaromatic boronic esters, generated by neutral cobalt(I)‐catalysed Diels–Alder reactions, reacted under palladium catalysis conditions with diiodobenzene, bromoiodobenzene and iodoaniline derivatives for the synthesis of regioselectively substituted phenanthrene and phenanthridine derivatives. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Solid‐Phase Synthesis of a Cyclic NGR‐Functionalized GdIIIDTPA Complex
Authors: Langereis Sander , Dirksen Anouk , De Waal Bas F. M. , Van Genderen Marcel H. P. , De Lussanet Quido G. , Hackeng Tilman M. , Meijer E. W. 
Published: June 2005

AbstractA convenient methodology has been developed for the solid‐phase synthesis of a cyclic NGR‐functionalized GdIIIDTPA complex employing an isocyanate‐functionalized DTPA pentaester. This methodology is an alternative strategy for the tagging of oligopeptides with GdIIIDTPA as an MRI label on the solid phase. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)