bluuebunny/crossref_metadata_2025_split huggingface dataset:
Analysis of five HMG‐CoA reductase inhibitors— atorvastatin, lovastatin, pravastatin, rosuvastatin and simvastatin: pharmacological, pharmacokinetic and analytical overview and development of a new method for use in pharmaceutical formulations analysis and in vitro metabolism studies
Authors: Pasha Md. Khalid , Muzeeb Syed , Basha Shaik Jafar Sadik , Shashikumar Dhanya , Mullangi Ramesh , Srinivas Nuggehally R. 
Published: September 2005

AbstractA specific, accurate, precise and reproducible high‐performance liquid chromatographic (HPLC) method was developed and validated for the simultaneous quantitation of five 3‐hydroxy‐3‐methyglutaryl coenzyme A (HMG‐CoA) reductase inhibitors, viz. atorvastatin, lovastatin, pravastatin, rosuvastatin and simvastatin, in pharmaceutical formulations and extended the application to in vitro metabolism studies of these statins. Ternary gradient elution at a flow rate of 1 mL/min was employed on an Intertisl ODS 3V column (4.6 × 250 mm, 5 µm) at ambient temperature. The mobile phase consisted of 0.01 m ammonium acetate (pH 5.0), acetonitrile and methanol. Theophylline was used as an internal standard (IS). The HMG‐CoA reductase inhibitors and their metabolites were monitored at a wavelength of 237 nm. Drugs were found to be 89.6–105.6% of their label's claim in the pharmaceutical formulations. For in vitro metabolism studies the reaction mixtures were extracted with simple liquid–liquid extraction using ethyl acetate. Baseline separation of statins and their metabolites along with IS free from endogenous interferences was achieved. Nominal retention times of IS, atorvastatin, lovastatin, pravastatin, rosuvastatin and simvastatin were 7.5, 17.2, 21.6, 28.5, 33.5 and 35.5 min, respectively. The proposed method is simple, selective and could be applicable for routine analysis of HMG‐CoA reductase inhibitors in pharmaceutical preparations as well as in vitro metabolism studies. Copyright © 2005 John Wiley & Sons, Ltd.
Antioxidant, pro‐oxidant effect of the thiosemicarbazone derivative Schiff base (4‐(1‐phenylmethylcyclobutane‐3‐yl)‐2‐(2‐hydroxybenzylidenehydrazino) thiazole) and its metal complexes on rats
Authors: Karatepe Mustafa , Karatas Fikret 
Published: September 2005

AbstractAdverse biological activities of thiosemicarbazone (TSC) and Schiff base (SB) derivatives have been widely studied in rats and in other animal species using different doses, times and routes of administration. However, there are few studies describing changes in some biochemical parameters in vivo which are indicative of oxidative stress in biological systems and of morphological changes of tissues. In this study, the rats were injected subcutaneously with a new thiosemicarbazone thiazole ring containing a Schiff base (LH) and its Cu(L)2 and Zn(L)2 complexes (25 mg kg−1 body weight) and then sacrificed after 1, 2, 4, 8, 16, 32 and 64 days. The aim of this study was to determine the effect of the new compounds on the serum antioxidant vitamins (A, E, C), selenium (Se), malondialdehyde (MDA) levels, erythrocyte GSH‐Px enzyme activity and morphological changes in the liver, kidney and adrenal gland tissues. It was observed that erythrocyte GSH‐Px activity, serum MDA and vitamins A, E concentrations were statistically changed (p < 0.02), but serum levels of selenium, and vitamin C were not changed. In conclusion, the parameters measured show that Cu(L)2 caused considerable oxidative stress and Zn(L)2 behaved as an antioxidant. No oxidative stress in LH was observed compared to the control group. Copyright © 2005 John Wiley & Sons, Ltd.
Effects of the blockade of high voltage‐activated calcium channels on in vitro pineal melatonin synthesis
Authors: Afeche Solange C. , Barbosa Roseli , Scialfa Julieta H. , Terra Ilza M. , Cassola Antonio C. , Cipolla‐Neto José 
Published: September 2005

AbstractThe presence of high voltage‐activated calcium channels in the rat pineal gland is well known. However, their role in pineal metabolism is not completely understood and is even controversial. Better to understand this matter, we investigated the effects of L‐, N‐ or P/Q‐type calcium channel blockers (nifedipine, ω‐conotoxin GVIA, ω‐agatoxin IVA, respectively) on melatonin content and arylalkylamine‐N‐acetyltransferase activity of denervated rat pineal glands kept for 48 h in culture and stimulated with norepinephrine. Melatonin was measured by high performance liquid chromatography with electrochemical detection and arylalkylamine‐N‐acetyltransferase activity was quantified by radiometric assay. Pre‐incubation with any of these high voltage‐activated calcium channel blockers reduced the melatonin production induced by norepinephrine although arylalkylamine‐N‐acetyltransferase activity was reduced only by the N‐type calcium channel antagonist, ω‐conotoxin GVIA. The results indicate that calcium influx through L‐, N‐ or P/Q‐type of high voltage‐activated calcium channels is necessary for the full expression of the metabolic process leading to melatonin synthesis in the rat pineal glands. However, the mechanisms involved in this process are different for the L‐ or P/Q‐ and N‐type calcium channels. Copyright © 2005 John Wiley & Sons, Ltd.
A New Strategy for the Synthesis of Dinucleotides Loaded with Glycosylated Amino Acids—Investigations on in vitro Non‐natural Amino Acid Mutagenesis for Glycoprotein Synthesis
Authors: Röhrig Christoph H. , Retz Oliver A. , Hareng Lars , Hartung Thomas , Schmidt Richard R. 
Published: September 2005

AbstractThe in vitro non‐natural amino acid mutagenesis method provides the opportunity to introduce non‐natural amino acids site‐specifically into proteins. To this end, a chemically synthesised aminoacylated dinucleotide is enzymatically ligated to a truncated suppressor transfer RNA. The loaded suppressor tRNA is then used in translation reactions to read an internal stop codon. Here we report an advanced and general strategy for the synthesis of the aminoacyl dinucleotide. The protecting group pattern developed for the dinucleotide facilitates highly efficient aminoacylation, followed by one‐step global deprotection. The strategy was applied to the synthesis of dinucleotides loaded with 2‐acetamido‐2‐deoxy‐glycosylated amino acids, including N‐ and O‐β‐glycosides and O‐ and C‐α‐glycosides of amino acids, thus enabling the extension of in vitro non‐natural amino acid mutagenesis towards the synthesis of natural glycoproteins of high biological interest. We demonstrate the incorporation of the glycosylamino acids—although with low suppression efficiency—into the human interleukin granulocyte‐colony stimulating factor (hG‐CSF), as verified by the ELISA technique.
A Simple Approach to Well‐Defined Sugar‐Coated Surfaces for Interaction Studies
Authors: Vila‐Perelló Miquel , Gutiérrez Gallego Ricardo , Andreu David 
Published: September 2005

AbstractProtein–carbohydrate interactions play a crucial role in many relevant biological processes, and the development of simple and reliable tools for their study is a well‐recognized need. Surface‐based methods are particularly attractive because they i ) can effectively mimic cell‐surface recognition events, ii ) allow the identification of low‐affinity binders, iii ) are easily adaptable to high‐throughput screening, and iv ) require minimal sample amounts. We describe here the design and synthesis of a peptide module that efficiently captures glycans through its reducing end, by oxime ligation. Immobilization to carboxyl‐functionalized supports was thereby made possible. Chemically well‐defined surfaces coated with selected glycan targets were generated by this approach for surface plasmon resonance (SPR) studies. The usefulness of the method was demonstrated in the analysis of interactions that covered a five‐orders‐of‐magnitude affinity range; namely, the strong binding (KA∼109 M−1) of a well‐known lectin (wheat germ agglutinin) to chitopentose (GlcNAc5), and that of the same sugar with a weak binder (KA∼104 M−1), HEV32—the smallest hevein domain described.
Crushing the circumflex stent arm in a case of proximal peristent restenosis after kissing stent for the distal left main disease
Authors: Kim Jang‐Young , Yoon Junghan , Jung Hyun‐Sook 
Published: September 2005

AbstractWe present a case of proximal peristent restenosis after kissing stenting in the distal left main lesion. The patient was treated by crushing the proximal portion of the circumflex stent after passing through the stent arm in the left anterior descending. Catheter Cardiovasc Interv 2005; © 2005 Wiley‐Liss, Inc.
A Bayesian online inferential model for evaluation of analyzer performance
Authors: Willis A. J. 
Published: September 2005

AbstractAn iterative Bayesian approach is developed for the inversion of flow instrumentation condition‐monitoring problems. For the case of Gaussian random variables the solution reduces to an iterative weighted least squares approach amenable to online implementation, with a weighting derived from the Bayesian prior. The algorithm is illustrated with reference to a Sulfreen unit in a refinery, where concentrations of H2S and SO2 are measured by a number of input analyzers in parallel, prior to their combination and reaction. This paper discusses approaches to evaluating the performance of each instrument separately by monitoring the inferred bias using output data from the process. Copyright © 2005 John Wiley & Sons, Ltd.
Is BRCA1/BRCA2‐related breast carcinogenesis estrogen dependent?
Authors: Noruzinia Mehadad , Coupier Isabelle , Pujol Pascal 
Published: September 2005

AbstractEstrogen is a well known promoting factor of sporadic breast carcinoma. With regard to hereditary breast carcinoma, such as in BRCA1/BRCA2 syndromes, to date, the effects of estrogens on risk modification are not clear. Several studies have shown that prophylactic oophorectomy may decrease the risk of breast carcinoma in BRCA1/BRCA2 mutation carriers. Moreover, adjuvant tamoxifen therapy for primary breast carcinoma appears to diminish the risk of a second breast malignancy in BRCA1 mutation carriers. Conversely, exogenous estrogens, such as oral contraceptives, may increase the risk of breast carcinoma in familial breast cancer, as suggested by clinical studies. Paradoxically, the majority of BRCA1‐related breast carcinomas are negative for ER. There is some biologic evidence of interactions between estrogens and BRCA proteins. BRCA1 expression could be induced by estradiol in experimental models, whereas recent studies indicate that BRCA1 modifies the regulatory effects of the estrogen receptor (ER) α (ERα). Prospective studies will be required to estimate the potential benefits of estrogen suppression therapies for the prevention and adjuvant treatment of BRCA1/BRCA2‐related breast carcinomas. Cancer 2005. © 2005 American Cancer Society.
Resection of recurrent pulmonary metastases in patients with osteosarcoma
Authors: Briccoli Antonio , Rocca Michele , Salone Mariacristina , Bacci Gaetano , Ferrari Stefano , Balladelli Alba , Mercuri Mario 
Published: September 2005

AbstractBACKGROUNDSurgical resection of lung metastases is widely accepted in osteosarcoma patients. Few data exist on treatment of recurrent pulmonary metastases. The authors of the current study retrospectively analyzed patients with osteosarcoma who received surgery for recurrent lung metastases.METHODSFrom 1980 to 2001, 127 metastasectomies were performed on 94 patients. Criteria of eligibility were no metastases beyond the lung, no local recurrence, possibility of achieving complete resection of metastases without causing respiratory insufficiency, acceptable operative risk. Data were statistically elaborated with survival analysis according to Kaplan–Meier method of univariate analysis, life tables and Gehan statistic model, and multivariate analysis using Cox regression test. Results were considered in terms of time from first (DFI1) and second (DFI2) metastasectomy.RESULTSOf 94 patients operated upon twice, 59 (62.7%) died. Thirty‐five (37.3%) are alive; 31 (32.9%) of these are continuously disease‐free. The 3‐ and 5‐year event‐free actuarial survival curve from first metastasectomy was 45%, and 38%, respectively, whereas from the second metastasectomy, it was 33% and 32%, respectively. According to a Cox regression model, DFI1 has a risk of death of 0.974 times and DFI2 of 0.972 times for every additional month of survival. In multivariate analysis, Cox regression test showed the best predictive model of local recurrence and number of metastases (P = 0.0014).CONCLUSIONSThe authors concluded that patients persistently free of the primary osteosarcoma who developed recurrent resectable metastatic disease of the lung should be considered for reoperation a second, third, or fourth time, as these patients had similar DFI curves after five‐years. Cancer 2005. © 2005 American Cancer Society.
An Isothermal–Isobaric Langevin Thermostat for Simulating Nanoparticles under Pressure: Application to Au Clusters
Authors: Kohanoff Jorge , Caro Alfredo , Finnis Michael W. 
Published: September 2005

AbstractWe present a method for simulating clusters or molecules subjected to an external pressure, which is exerted by a pressure‐transmitting medium. It is based on the canonical Langevin thermostat, but extended in such a way that the Brownian forces are allowed to operate only from the region exterior to the cluster. We show that the frictional force of the Langevin thermostat is linked to the pressure of the reservoir in a unique way, and that this property manifests itself when the particle it acts upon is not pointlike but has finite dimensions. By choosing appropriately the strength of the random forces and the friction coefficient, both temperature and pressure can be controlled independently. We illustrate the capabilities of this new method by calculating the compressibility of small gold clusters under pressure.
Computer Simulation of Quantum Melting in Hydrogen Clusters
Authors: Baroni Stefano , Moroni Saverio 
Published: September 2005

AbstractWe introduce a new criterion, based on multipole dynamical correlations calculated within reptation quantum Monte Carlo, to discriminate between a melting versus freezing behavior in quantum clusters. This criterion is applied to small clusters of para‐hydrogen molecules (both pristine and doped with a CO chromophore), for cluster sizes of around twelve molecules. This is a magic size at which para‐hydrogen clusters display an icosahedral structure and a large stability. Despite the similar geometric structure of CO@(pH2)12 and (pH2)13, the first system has a rigid, crystalline, behavior; the second behaves more like a superfluid (or, possibly, a supersolid).
Blue Moon Sampling, Vectorial Reaction Coordinates, and Unbiased Constrained Dynamics
Authors: Ciccotti Giovanni , Kapral Raymond , Vanden‐Eijnden Eric 
Published: September 2005

AbstractWe give a new formula expressing the components of the mean force in terms of a conditional expectation which can be computed by Blue Moon sampling. This generalizes to the vectorial case a formula first derived by Ruiz‐Montero et al. [Mol. Phys. 1997, 90, 925] for a scalar reaction coordinate. We also discuss how to compute this conditional average by means of constrained stochastic dynamics which, unlike the usual constrained molecular dynamics, introduces no bias. Finally, we give a new perspective on bias removal by using constrained molecular dynamics.
Disproving a Silicon Analog of an Alkyne with the Aid of Topological Analyses of the Electronic Structure and Ab Initio Molecular Dynamics Calculations
Authors: Pignedoli Carlo A. , Curioni Alessandro , Andreoni Wanda 
Published: September 2005

AbstractA silicon compound has recently been synthesized that was claimed to exhibit the first realization of a silicon–silicon triple bond. We debate this classification on the basis of a thorough investigation of the nature of the chemical bond, using the rigorous topological analysis of the electron density as developed in Bader’s atoms‐in‐molecules theory, that of the electron localization function and the related orbital‐independent definitions of the bond order. Our results refer both to the ground‐state geometry and to nonequilibrium configurations, which are accessed by the system in a room‐temperature ab initio molecular dynamics simulation. We also use the reciprocal compliance force constant as an independent chemical descriptor. All the above procedures are in agreement and do not support the classification of the silicon–silicon central bond as triple. The characterization which consistently emerges from the present study is one in which two electron pairs participate in the bonding and the other pair belongs mainly to nonbonding regions.
Muffin‐Tin Orbital Wannier‐Like Functions for Insulators and Metals
Authors: Zurek Eva , Jepsen Ove , Andersen Ole Krogh 
Published: September 2005

AbstractHerein, we outline a method that is able to generate truly minimal basis sets that accurately describe either a group of bands, a band, or even just the occupied part of a band. These basis sets are the so‐called NMTOs, muffin‐tin orbitals of order N. For an isolated set of bands, symmetrical orthonormalization of the NMTOs yields a set of Wannier functions that are atom‐centered and localized by construction. They are not necessarily maximally localized, but may be transformed into those Wannier functions. For bands that overlap others, Wannier‐like functions can be generated. It is shown that NMTOs give a chemical understanding of an extended system. In particular, orbitals for the π and σ bands in an insulator, boron nitride, and a semimetal, graphite, will be considered. In addition, we illustrate that it is possible to obtain Wannier‐like functions for only the occupied states in a metallic system by generating NMTOs for cesium. Finally, we visualize the pressure‐induced s→d transition.
The psychological impact of screening for type 2 diabetes
Authors: Adriaanse Marcel C. , Snoek Frank J. 
Published: September 2005

AbstractUntil recently, there was little empirical data regarding the psychological impact of screening for type 2 diabetes. There is now some progress in this area, as evidenced by emerging population based studies reporting on the effects of screening for type 2 diabetes on perceived health status and well‐being.Recent studies from our own and other groups show that the diagnosis type 2 diabetes has no substantial adverse or positive effect on the participants' perceived health status and well‐being after notification of the test result. Importantly, screening‐detected type 2 diabetes patients beforehand perceive their risk for type 2 diabetes to be low, despite the presence of risk factors, such as obesity, hypertension and a family history, and overall report low levels of diabetes‐related symptom distress. Yet, screening‐detected type 2 diabetes patients were bothered more by symptoms of hyperglycaemia and fatigue in the first year following diagnosis type 2 diabetes than non‐diabetics.On the basis of research to date, we conclude that screening for type 2 diabetes in the general population has no serious psychological side effects. Whether lack of emotional response to screening, is because of unawareness or indifference, needs further investigation. Future studies should be aiming towards a better understanding of how to raise the awareness and understanding of type 2 diabetes and its risk factors in high‐risk individuals, while avoiding or minimizing negative effects, such as emotional distress and denial. The growing number of younger people developing type 2 diabetes warrants further research into labeling effects of an early diagnosis. Copyright © 2005 John Wiley & Sons, Ltd.
High variability in complementarity‐determining regions compensates for a low number of V gene families in the λ light chain locus of the platypus
Authors: Johansson Jeannette , Salazar Janice N. , Aveskogh Maria , Munday Barry , Miller Robert D. , Hellman Lars 
Published: September 2005

AbstractBased on the analysis of a panel of variable (V) region sequences from the Australian duck‐billed platypus and the Australian short beaked echidna, the monotremes were found to express a highly diversified Vλ repertoire. High variability was observed both in sequence and in length of all three CDR regions. However, all monotreme sequences were found to form a separate branch on a distance tree, and the monotremes appear to express only two Vλ gene families. The appearance of all Vλ gene segments in one branch on the distance tree gives further support for the notion that deletions of entire V region clans or families, followed by successive rounds of gene duplications may be a relatively common phenomenon during vertebrate evolution. Four different constant region sequences were also identified and a preferential use of certain J segments to each constant region was observed. A more detailed picture of the locus was obtained by analysis of genomic DNA by Southern blot and PCR. The organization of the lambda locus involves multiple V and several constant region genes with one or several joining segments positioned upstream of each constant region, similar to the organization in mouse and man. An mRNA frequency analysis shows that the λ light chain accounts for more than 90% of the light chain transcripts in the spleen. The abundance and the high variability indicate that light chain diversity at the λ locus contributes significantly to the antigen‐binding repertoire in monotremes. A high λ to κ light chain ratio also indicates that variability in the CDR regions is more important for the repertoire size than the total number of V gene families.
Eosinophilic differentiation is promoted by blockage of Notch signaling with a gamma‐secretase inhibitor
Authors: Kang Jin Hyun , Lee Da Hye , Lee Jong Soo , Kim Hai Joong , Shin Jin Woo , Lee Young Han , Lee Young Seek , Park Choon‐Sik , Chung Il Yup 
Published: September 2005

AbstractAlthough increasing evidence supports the inhibitory role of Notch in granulocyte differentiation, the direct effects of Notch on the differentiation and maturation of eosinophils, one type of granulocyte, have not yet been studied. We investigated whether a blockage of Notch signaling promoted the differentiation of eosinophils from umbilical cord blood (UCB) cells. Freshly isolated UCB cells were cultured with IL‐3, IL‐5 and GM‐CSF in the presence or absence of a γ‐secretase inhibitor L‐685,458, and examined for the expression of major basic protein (MBP). Freshly isolated UCB cells expressed mRNA and proteins for Notch 1, Notch 2, Delta 1, and Jagged 1. MBP expression in cultures with the inhibitor was significantly increased, as compared with the cultures in the absence of the inhibitor. Treatment with the inhibitor was accompanied by a decrease in Hes 1 mRNA expression, indicative of Notch‐mediated signaling for the inhibitor effect. UCB cells cultured with the inhibitor for 28 days displayed similar levels of CCR3, a late marker of eosinophil development, as compared with the cells cultured without the inhibitor, but almost completely lost chemotaxis response to eotaxin. Our data suggest that Notch signaling may modulate eosinophil migration at the mature stage as well as inhibit eosinophil differentiation.