bluuebunny/crossref_metadata_2025 huggingface dataset:
2‐DE proteomic analysis of the model cyanobacterium Anabaena variabilis
Authors: Barrios‐Llerena Martin E. , Reardon Kenneth F. , Wright Phillip C.
Published: April 2007

Cyanobacteria are photosynthetic bacteria capable of producing hydrogen and secondary metabolites with potential pharmaceutical applications. A limited number of cyanobacterial 2‐DE proteomic studies have been published, most of which are based on Synechocystis sp. PCC 6803. Here, we report the use of 2‐DE, ESI‐MS/MS and protein bioinformatics tools to characterize the proteome of Anabaena variabilis ATCC 29413, a heterocystous nitrogen‐fixing cyanobacterium that is a model organism for the study of nitrogen fixation. Using a 2‐DE workflow that included the use of a detergent‐based extraction buffer and 3–10 nonlinear IPG strips resulted in the identification of 254 unique proteins, with significantly better coverage of basic and low‐abundance proteins that has been reported in 2‐DE analyses of Synechocystis sp. A set of protein bioinformatics tools was employed to provide estimates of protein localization, hydrophobicity, abundance and other properties. The characteristics of the A. variabilis proteins identified in this study were compared against the theoretical proteome for this organism, and more generally within the cyanobacteria, to identify opportunities for further development of 2‐DE‐based cyanobacterial proteomics.
Study of injection bias in a simple hydrodynamic injection in microchip CE
Authors: Gong Maojun , Wehmeyer Kenneth R. , Stalcup Apryll M. , Limbach Patrick A. , Heineman William R.
Published: April 2007

The electrokinetically pinched method is the most commonly used mode for sample injection in microchip capillary electrophoresis (μCE) due to its simplicity and well‐defined sample volume. However, the limited injection volume and the electrophoretic bias of the pinched injection may limit its universal usage to specific applications. Several hydrodynamic injection methods in μCE have been reported; however, almost all claimed that their methods are bias‐free without considering the dispensing bias. To investigate the dispensing bias, a simple hydrodynamic injection was developed in single‐T and double‐T glass microchips. The sample flow was produced by hydrostatic pressure generated by the liquid level difference between the sample reservoir and the other reservoirs. The reproducibility of peak area and peak area ratio was improved to a significant extent using large‐surface reservoirs for the buffer reservoir and the sample waste reservoir to reduce the Laplace pressure effect. Without a voltage applied on the sample solution, the voltage‐related sample bias was eliminated. The dispensing bias was analyzed theoretically and studied experimentally. It was demonstrated that the dispensing bias existed and could be reduced significantly by appropriately setting up the voltage configuration and by controlling the appropriate liquid level difference.
Quantification of buserelin in a pharmaceutical product by multiple‐injection CZE
Authors: Lodén Henrik , Amini Ahmad
Published: April 2007

An efficient and rapid separation method based on reversed‐polarity multiple‐injection CZE (MICZE), has been developed for the quantification of buserelin in a pharmaceutical product. The determinations were performed by serially injecting five standard solutions of buserelin (50–300 μg/mL) and one reference analyte into a Polybrene‐coated capillary. All the samples contained goserelin, an analog peptide to buserelin, as internal standard (IS). Immediately after pressure injection, the applied sample plugs were subjected to electrophoresis for 2 min at −25 kV. Consequently, each sample plug became isolated from its neighboring plugs by the BGE, composed of 100 mM phosphate‐triethanolamine buffer at pH 3.0 containing 10% v/v ACN. During separation the individual sample components migrated at similar velocities and as distinct zones through the capillary giving 24 peaks, 12 from the analyte and the IS and 12 from the sample matrix. The buserelin content of the pharmaceutical product was determined to be 0.94 ± 0.05 mg/mL, which is only a slight deviation from the declared concentration (1 mg/mL).
Estimation of inhomogeneous zeta potential using velocity measurements of EOF
Authors: Park Hung Mok , Lee Jun Suk
Published: April 2007

We have developed a method of estimating the zeta potential distribution along the microchannel wall using velocity measurements of the EOF. The relevant inverse problem is solved through the minimization of a performance function utilizing the conjugate gradient method. Employing a set of simulated velocity measurements, which is constructed by adding random noise to the computed exact velocity, the present method is found to estimate the distribution of the zeta potential along the channel wall with reasonable accuracy.
On‐line preconcentration of weak electrolytes by electrokinetic accumulation in CE: Experiment and simulation
Authors: Horáková Jana , Petr Jan , Maier Vítězslav , Tesařová Eva , Veis Libor , Armstrong Daniel W. , Gaš Bohuslav , Ševčík Juraj
Published: April 2007

A new on‐line preconcentration technique was developed that makes possible to determine nanomolar concentrations of weak acidic analytes in CE. The method consists of long‐running electrokinetic sample injection and stacking (electrokinetic immobilization) of the analytes at a boundary of two electrolytes with different pH values (pH 9.5 and 2.5) and consequent mobilization of the stacked uncharged analytes in a micellar system (containing SDS micelles). Several factors including buffer concentration, pH, applied voltage, time of preconcentration, and SDS concentration were tested to optimize the analysis method. An about 4600‐fold increase of the sample concentration (in comparison with the standard CZE) can be achieved during the preconcentration step. Two preservatives applied in food industry – benzoic acid and sorbic acid were used as model samples. The applicability of the proposed method in food analysis was demonstrated by determination of nanomolar concentrations of benzoic acid in sunflower oil. An extended version of the computer program Simul was used for modeling both the preconcentration and mobilization processes taking place in the capillary.
Analysis of fullerene‐based nanomaterial in serum matrix by CE
Authors: Chan King C. , Patri Anil K. , Veenstra Timothy D. , McNeil Scott E. , Issaq Haleem J.
Published: April 2007

With the increasing interest in using nanoparticles as vehicles for drug delivery and image contrast agents, there is a need to develop assays for their detection and quantitation in complex matrices to facilitate monitoring their biodistribution. In this study, we developed a CE approach for the analysis of two nanoparticles: carboxyfullerene (C3) and dendrofullerene (DF1) in both standard solutions and a serum matrix. These highly soluble, charged C60 derivatives were characterized by CZE using either a bare or dynamically coated fused‐silica capillaries. The resolution of both nanoparticles was slightly lower with the coated capillary; however, their migration times were faster. While separation of the DF1 nanoparticles using MEKC resulted in a greater number of observable peaks, the peak profile of C3 was basically unchanged regardless of whether SDS micelles were added to the running buffers or not. The MEKC and/or CZE assays were then used to quantitate the C3 and DF1 nanoparticles in spiked human serum samples. The quantitation of the nanoparticles was linear from 0–500 μg/mL with detection limits ranging from 0.5 to 6 μg/mL.
Unscheduled DNA replication origin activation at inserted HPV 18 sequences in a HPV‐18/MYC amplicon
Authors: Conti Chiara , Herrick John , Bensimon Aaron
Published: April 2007

Oncogene amplification is a critical step leading to tumorigenesis, but the underlying mechanisms are still poorly understood. Despite data suggesting that DNA replication is a major source of genomic instability, little is known about replication origin usage and replication fork progression in rearranged regions. Using a single DNA molecule approach, we provide here the first study of replication kinetics on a previously characterized MYC/papillomavirus (HPV18) amplicon in a cervical cancer. Using this amplicon as a model, we investigated the role DNA replication control plays in generating amplifications in human cancers. The data reveal severely perturbed DNA replication kinetics in the amplified region when compared with other regions of the same genome. It was found that DNA replication is initiated from both genomic and viral sequences, resulting in a higher median frequency of origin firings. In addition, it was found that the higher initiation frequency was associated with an equivalent increase in the number of stalled replication forks. These observations raise the intriguing possibility that unscheduled replication origin activation at inserted HPV‐18 viral DNA sequences triggers DNA amplification in this cancer cell line and the subsequent overexpression of the MYC oncogene. This article contains Supplementary Material available at http://www.interscience.wiley.com/jpages/1045‐2257/suppmat. © 2007 Wiley‐Liss, Inc.
Jumping translocations
Authors: Berger Roland , Bernard Olivier A.
Published: April 2007

Jumping translocations (JT) are uncommon constitutional or acquired chromosome rearrangements involving one donor and several recipient chromosomes. They occur in various pathologic conditions and the mechanism of their formation remains elusive. A review of the literature showed that the major localizations of the breakpoints of JTs in human samples are nonrandomly located in pericentromeric and telomeric regions of chromosomes. Interestingly, comparison of the localization of the chromosomal breakpoints and of presence of interstitial DNA repeats showed differences between constitutional and acquired JTs suggesting differences in the mechanisms for the genesis of JTs and their consequences. © 2007 Wiley‐Liss, Inc.
Two Novel Alkaloids from Zanthoxylum nitidum
Authors: Hu Jiang , Zhang Wei‐Dong , Shen Yun‐Heng , Zhang Chuan , Liu Run‐Hui , Xu Xi‐Ke , Wang Bin
Published: April 2007

Two novel alkaloids, 4,5‐dihydroxy‐1‐methyl‐3‐oxo‐2‐(trichloromethyl)‐3H‐indolium chloride (1) and 4‐(2‐methoxyethyl)‐N,N‐dimethylbenzenamine (2), were isolated from the EtOH extract of the roots of Zanthoxylum nitidum. Their structures were identified on the basis of spectroscopic and mass‐spectrometric analyses.
Three New Compounds from Kadsura longipedunculata
Authors: Pu Jian‐Xin , Xiao Wei‐Lie , Li Hong‐Mei , Huang Sheng‐Xiong , Li Sheng‐Hong , Sun Han‐Dong
Published: April 2007

From the leaves and stems of Kadsura longipedunculata Finet et Gagnep (Schisandraceae), a new triterpenoid, schisanlactone E (1), and two new lignans, 9‐(β‐D‐glucopyranosyloxy)‐3′‐methoxy‐3,4‐(methylenedioxy)‐7,9′‐epoxylignan‐4′‐ol (3) and 3‐methoxy‐3′,4′‐(methylenedioxy)‐9,9′‐epoxylignan‐4,7′‐diol (4), together with seven known compounds, were isolated. Their structures were elucidated by analysis of spectroscopic evidence including extensive 2D‐NMR data.
New Lignans from the Roots of Taiwania cryptomerioidesHayata
Authors: Chyu Chiou‐Fung , Kuo Yueh‐Hsiung
Published: April 2007

The five new lignans designated 3′,4′‐de‐O‐methylenehinokinin (1), taiwaninolide (2), 8′‐hydroxysavinin (3), isoguamarol (4), and 4′‐O‐methylsalicifolin (5), as well as the new 4‐(3,4‐dimethoxybenzyl)dihydro‐3‐(4‐hydroxybenzyl)furan‐2(3H)‐one (6) were isolated from the roots of Taiwania cryptomerioides, besides the three known compounds hinokinin (8), savinin (9), and 3,4‐de‐O‐methylenehinokinin (7). The structures of the new constituents were elucidated through chemical and spectral studies. A compound previously isolated from the heartwood of Chamaecyparis obtusa var. formosana was assigned structure 1; however, this structure has now been revised to be 3,4‐de‐O‐methylenehinokinin (7).
Two New Tetranortriterpenoids from Cipadessa cinerascens
Authors: Ren Yan‐Li , Tang Qian‐Rui , Di Ying‐Tong , He Hong‐Ping , Zhang Zhen , Li Shun‐Lin , Hao Xiao‐Jiang
Published: April 2007

Two new tetranortriterpenoids, cipadesin D (1) and E (2), were isolated from the stems of Cipadessa cinerascens. Their structures were elucidated by analysis of their spectroscopic data.
Four New Germine Esters from Veratrum dahuricum
Authors: Tang Jian , Li Hui‐Liang , Shen Yun‐Heng , Jin Hui‐Zi , Yan Shi‐Kai , Liu Run‐Hui , Zhang Wei‐Dong
Published: April 2007

Four new alkaloids, compounds 1–4, based on the germine (=4,9‐epoxycevane‐3,4,7,14,15,16,20‐heptol; 5) framework, were isolated from the rhizomes of V. dahuricum, together with germine proper. The X‐ray crystal structure of germine (5) was solved, and all compounds were characterized by circular dichroism, 1D‐ and 2D‐NMR (1H,1H‐COSY, DEPT, HSQC, HMBC), as well as HR‐MS analyses.
Chemical Constituents from Cynoglossum gansuense
Authors: Jin Yuan‐Peng , Wei Xiao‐Ning , Shi Yan‐Ping
Published: April 2007

Two new alkaloids, i.e., (2,3‐dihydro‐1‐oxo‐1H‐pyrrolo[1,2‐a]pyrrol‐7‐yl)methyl (2S*,3S*)‐3‐[(β‐D‐glucopyranosyl)oxy]‐2‐hydroxy‐2‐(1‐methylethyl)butanoate (1) and 1,2‐dihydro‐8‐methoxy‐2‐oxoquinoline‐4‐carboxylic acid (2), were isolated from the alcoholic extract of the whole plant of Cynoglossum gansuense, together with twelve known compounds Their structures were characterized by means of spectroscopic methods, especially by 1H‐, 13C‐, and 2D‐NMR, as well as by HR‐MS experiments and comparison with literature data.
Oligonucleotide Analogues with Integrated Bases and Backbone. Part 14
Authors: Zhang Xiaomin , Bernet Bruno , Vasella Andrea
Published: April 2007

The self‐complementary tetrameric propargyl triols 8, 14, 18, and 21 were synthesized to investigate the duplex formation of self‐complementary, ethynylene‐linked UUAA, AAUU, UAUA, and AUAU analogues with integrated bases and backbone (ONIBs). The linear synthesis is based on repetitive Sonogashira couplings and C‐desilylations (34–72% yield), starting from the monomeric propargyl alcohols 9 and 15 and the iodinated nucleosides 3, 7, 11, and 13. Strongly persistent intramolecular H‐bonds from the propargylic OH groups to N(3) of the adenosine units prevent the gg‐type orientation of the ethynyl groups at C(5′). As such, an orientation is required for the formation of cyclic duplexes, this H‐bond prevents the formation of duplexes connected by all four base pairs. However, the central units of the UAUA and AAUU analogues 18 and 14 associate in CDCl3/(D6)DMSO 10 : 1 to form a cyclic duplex characterized by reverse Hoogsteen base pairing. The UUAA tetramer 8 forms a cyclic UU homoduplex, while the AUAU tetramer 21 forms only linear associates. Duplex formation of the O‐silylated UUAA and AAUU tetramers is no longer prevented. The self‐complementary UUAA tetramer 22 forms Watson–Crick‐ and Hoogsteen‐type base‐paired cyclic duplexes more readily than the sequence‐isomeric AAUU tetramer 23, further illustrating the sequence selectivity of duplex formation.
Bulls, bears and excess volatility: can currency intervention help?
Authors: Corrado Luisa , Miller Marcus , Zhang Lei
Published: April 2007

Asset mis‐pricing may reflect investor psychology; and excess volatility can arise from switches of sentiment. For a floating exchange rate where fundamentals follow a random walk, we show that excess volatility can be generated by the repeated entry and exit of currency ‘bulls’ and ‘bears’ with switches driven by ‘draw‐down’ trading rules. We argue that non‐sterilized intervention—in support of ‘monitoring band’—can reduce excess volatility by coordinating beliefs in line with policy. Strategic complementarity in the foreign exchange market suggests that sterilized intervention may also play a coordinating role. Copyright © 2007 John Wiley & Sons, Ltd.
Nonparametric estimation of a hedonic price function
Authors: Parmeter Christopher F. , Henderson Daniel J. , Kumbhakar Subal C.
Published: April 2007

Rosen's (1974) theory of hedonic prices is implemented econometrically using recently developed nonparametric techniques to examine the influence of qualitative factors on the price of a house. Our ability to smooth categorical variables leads to greater generalization in the valuation process and provides a canvas for interactions between categorical and continuous variables that is difficult to exploit in parametric and semiparametric models. This is illustrated with a replication of a previously used partially linear model specification. Copyright © 2007 John Wiley & Sons, Ltd.
Effect of short‐term treatment with alendronate on ulnar bone adaptation to cyclic fatigue loading in rats
Authors: Barrett Jennifer G. , Sample Susannah J. , McCarthy Jenna , Kalscheur Vicki L. , Muir Peter , Prokuski Laura
Published: April 2007

Targeted remodeling of fatigue‐injured bone involves activation of osteoclastic resorption followed by local bone formation by osteoblasts. We studied the effect of parenteral alendronate (ALN) on bone adaptation to cyclic fatigue. The ulnae of 140 rats were cyclically loaded unilaterally until 40% loss of stiffness developed. We used eight treatment groups: (1) baseline control; (2) vehicle (sterile saline) and (3) alendronate before fatigue, no adaptation (Pre‐VEH, Pre‐ALN, respectively); (4) vehicle and (5) alendronate during adaptation to fatigue (Post‐VEH, Post‐ALN, respectively); (6) vehicle before fatigue and during adaptation (Pre‐VEH/Post‐VEH); (7) alendronate before fatigue and vehicle during adaptation (Pre‐ALN/Post‐VEH); (8) alendronate before fatigue and during adaptation (Pre‐ALN/Post‐ALN). Bones from half the rats/group were tested mechanically; remaining bones were examined histologically. The following variables were quantified: volumetric bone mineral density (vBMD); ultimate force (Fu); stiffness (S); work‐to‐failure (U); cortical area (Ct.Ar); new woven bone tissue area (Ne.Wo.B.T.Ar); resorption space density (Rs.N/T.Ar). Microcracking was only seen in fatigue‐loaded ulnae. A significant effect of alendronate on vBMD was not found. Preemptive treatment with alendronate did not protect the ulna from structural degradation during fatigue. After fatigue, recovery of mechanical properties by adaptation occurred; here a significant alendronate effect was not found. An alendronate‐specific effect on adaptive Ne.Wo.B.T.Ar was not found. In the fatigue‐loaded ulna, Rs.N/T.Ar was increased in vehicle‐treated adapted groups, but not alendronate‐treated adapted groups, when compared with baseline control. These data suggest that short‐term alendronate treatment does not protect bone from fatigue in this model. Inhibition of remodeling may reduce microcrack repair over time. © 2007 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 25:1070–1077, 2007
Biomechanical comparison of a novel multilevel hex‐head pedicle screw design with a conventional head design
Authors: Liu Qi , Olson Donald R. , Tiley Frederick W. , Shea Marie , Smits Matt , Hart Robert A.
Published: April 2007

The objective of the study was to determine the biomechanical effect during insertion of multilevel hex‐head design pedicle screws compared to a conventional screw‐head design. Eighteen lumbar vertebrae and thoracic vertebrae from human cadavers were instrumented with a novel, multilevel hexagonal head pedicle screw on one side and a conventional head pedicle screw on the contralateral side. Screws were inserted at a constant rate and insertion and removal torques were recorded. A further 14 lumbar and thoracic vertebrae were used to test alterability of screw direction and operational effort required. Electromagnetic sensors recorded the change in angular direction for both screw and screwdriver. The force applied through the insertion screwdriver required to produce the directional change was also recorded. No significant differences were found between the two screw types for insertion or removal torque in either lumbar or thoracic vertebrae. Multilevel hex‐head screws had significantly greater directional alterability than conventional head screws in both lumbar and thoracic specimens. Multilevel hex‐head screws also required less force applied through the screwdriver than conventional screws to alter direction of screw insertion in both lumbar and thoracic specimens. The multilevel hex‐head design did not affect the insertion or removal torque in comparison to a conventional head design. © 2007 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 25:1115–1120, 2007
On the interaction of NLS‐described modulating pulses with different carrier waves
Authors: Chirilus‐Bruckner Martina , Schneider Guido , Uecker Hannes
Published: April 2007

We give a detailed analysis of the interaction of two modulating pulse solutions of a nonlinear wave equation. These solutions consist of pulse‐like envelopes satisfying approximately a nonlinear Schrödinger equation, advancing in the laboratory frame, and modulating underlying wave trains. We improve the bound for the possible shift of the envelopes caused by the interaction of two well‐prepared pulses from order 𝒪(1) to order 𝒪(ε). Thus, we manifest the statement that there is almost no interaction of pulses with different carrier waves. Copyright © 2007 John Wiley & Sons, Ltd.
ESR imaging investigations of two‐phase systems
Authors: Herrmann Werner , Stößer Reinhard , Borchert Hans‐Hubert
Published: April 2007

The possibilities of electron spin resonance (ESR) and electron spin resonance imaging (ESRI) for investigating the properties of the spin probes TEMPO and TEMPOL in two‐phase systems have been examined in the systems water/n‐octanol, Miglyol/Miglyol, and Precirol/Miglyol. Phases and regions of the phase boundary could be mapped successfully by means of the isotropic hyperfine coupling constants, and, moreover, the quantification of rotational and lateral diffusion of the spin probes was possible. For the quantitative treatment of the micropolarity, a simplified empirical model was established on the basis of the Nernst distribution and the experimentally determined isotropic hyperfine coupling constants. The model does not only describe the summarized micropolarities of coexisting phases, but also the region of the phase boundary, where solvent molecules of different polarities and tendencies to form hydrogen bonds compete to interact with the NO group of the spin probe. Copyright © 2007 John Wiley & Sons, Ltd.
Pharmaceutical marketing: a question of regulation
Authors: Devlin Elinor , Hastings Gerard , Smith Anne , McDermott Laura , Noble Gary
Published: April 2007

In recent years, the marketing practices of the pharmaceutical industry have been subject to scrutiny and criticism. In the UK, prescription‐only (PO) medicines cannot be marketed directly to the public, and marketing to health professionals is self‐regulated by the Association of the British Pharmaceutical Industry's (ABPI) Code of Practice.

This study uses internal document analyses to examine the effectiveness of this regulatory framework. Specifically, a qualitative analysis was conducted of internal marketing documents from five UK pharmaceutical companies which were obtained by the House of Commons Health Committee. This analysis suggests that major pharmaceutical companies are contravening the ABPI Code in four key areas.

The authors conclude that the current system is not effectively regulating the marketing of PO medicines to the general public or health professionals in the UK and suggest that the Code and indeed the whole regulatory procedure needs a thorough review.

Copyright © 2007 John Wiley & Sons, Ltd.
Synthesis of a random copolymer and its compatibility for thermotropic liquid crystalline polymer/poly(ether ether ketone) blends
Authors: Yang Yanhua , Dai Xiaohui , Zhang Limei , Ma Rongtang , Jiang Zhenhua
Published: April 2007

A random copolymer (RCP) containing poly(ether ether ketone) (PEEK) and thermotropic liquid crystalline polymer (TLCP) segments was synthesized. Its chemical structure and liquid crystalline properties were characterized by FT‐IR, differential scanning calorimetry (DSC) and polar light microscopy (PLM) respectively. A single glass transition temperature (Tg) at 134.0°C, a melting temperature (Tm) at 282.0°C and a temperature of ignition (Ti) at 331.3°C can be observed. Blends of PEEK and TLCP with and without RCP as compatibilizer were prepared by extrusion and the effect of RCP on the thermal properties, dynamic mechanical properties, morphology and static tensile mechanical properties of blends was investigated by means of DSC, dynamic mechanical analysis (DMA), scanning electron microscopy (SEM), etc. Dynamic mechanical measurements indicated that there appeared to be only a single tan δ peak resulting from the glass transition of the PEEK‐rich phase and the Tg value shifted towards higher temperature due to the presence of compatibilizer, as suggested partial compatibility. Morphological investigations showed that the addition of RCP to binary blends reduced the dispersed phase size and improved the interfacial adhesion between the two phases. The ternary compatibilized blends showed enhanced tensile modulus compared to their binary blends without RCP. The strain at break decreased for the ternary blends due to embrittlement of the matrix by the incorporation of some RCP to the matrix phase. Copyright © 2007 John Wiley & Sons, Ltd.
Patterns and prevalence of antidepressant drug use in the German state of Baden‐Wuerttemberg: a prescription‐based analysis
Authors: Ufer M. , Meyer S. A. , Junge O. , Selke G. , Volz H. P. , Hedderich J. , Gleiter C. H.
Published: April 2007

Purpose

Population‐based data about patterns and prevalence of antidepressant drug use is limited in Europe and presently unavailable for Germany. Therefore, we have identified patterns and prevalence of antidepressant use among outpatients on a population‐based scale in the German state of Baden‐Wuerttemberg.

Methods

We conducted a historical cohort study using a computerised prescription database referring to all members of the major German public health insurance company AOK. We assessed the prevalence of antidepressant drug use over a 3‐year period, calculated the number of prescription items purchased per patient and compared first‐line and second‐line treatments.

Results

The 1‐year prevalence of antidepressant drug use among more than 4 000 000 health insurance members was 7.4% (male: 4.3%; female: 10.2%). Importantly, almost 40% of the patients received only a single prescription item from 2000 to 2002. Though the use of serotonin‐reuptake inhibitors (SSRIs) markedly increased by about 65% within the study period, these are primarily used as second‐line drugs and still much less frequently than St. John's wort or tricyclic antidepressants such as amitryptiline or doxepin.

Conclusions

The prevalence of antidepressant drug use is higher than previously reported for other European countries. The preferred use of St. John's wort and tricyclics over SSRIs and other modern‐type antidepressants in Germany is quite unique in Europe and different from the US. The identified drug use pattern leaves a major room for improvement in view of the numerous single prescription items purchased. Copyright © 2007 John Wiley & Sons, Ltd.
The evaluation of two‐step multivariate adaptive regression splines for chromatographic retention prediction of peptides
Authors: Put Raf , Vander Heyden Yvan
Published: April 2007

Both the multivariate adaptive regression splines (MARS) and the two‐step MARS (TMARS) methodologies were applied in a quantitative structure–retention relationship (QSRR) context. For seven RPLC systems, QSRR models were built that describe the retention times of a set of peptides using a large set of molecular descriptors as potential predictor variables. The use of QSRR models for chromatographic retention prediction of peptides may be valuable in proteomic research to improve the number of correct peptide identifications. Always, 70% of the samples was used to derive the QSRR models (calibration set), whereas the remaining 30% of the peptides were treated as an independent external test set. For four systems, the models obtained by TMARS have better predictive abilities than the MARS models. The MARS and TMARS model performance was compared with those of other multivariate modelling techniques. For five out of seven systems it was observed that the uninformative variable elimination by the partial least squares (PLS) approach outperforms all other methods studied. For three systems predictive errors smaller than 30 s were obtained. PLS regression and a multiple linear regression model based on three descriptors led to the best predictivities for the remaining two systems.
Proteome‐wide analysis of the serological response to vaccinia and smallpox
Authors: Davies D. Huw , Molina Douglas M. , Wrammert Jens , Miller Joe , Hirst Siddiqua , Mu Yunxiang , Pablo Jozelyn , Unal Berkay , Nakajima‐Sasaki Rie , Liang Xiaowu , Crotty Shane , Karem Kevin L. , Damon Inger K. , Ahmed Rafi , Villarreal Luis , Felgner Philip L.
Published: April 2007

The eradication of smallpox by vaccination with vaccinia virus was probably one of the greatest achievements of vaccinology. However, the immunological basis of this protection is not fully understood. To this end, we have used protein microarrays of the vaccinia (Western Reserve, WR) proteome to profile antibody reactivities after primary infection or boosting with the licensed smallpox vaccine, Dryvax®, and with archival convalescent smallpox sera. Some 25 antigens were consistently recognized by Dryvax® sera, of which half were envelope proteins (notably, H3, A13, B5, and D8). The remainder consisted mainly of core proteins (e.g. A10, L4, and I1), proteins involved in intracellular morphogenesis (A11, D13), and the A‐type inclusion protein, WR148. Convalescent smallpox sera also detected vaccinia antigens on the array, consistent with the notion that there is serological cross‐reactivity between these two orthopox species that underlies protection. Moreover, the profiles of immunodominant antigens recognized by variola‐infected individuals and Dryvax® vaccinees were indistinguishable. This is the first description of antibody‐specificity profiles induced after smallpox infection. The array data indicate that a significant component of the antibody response is not involved in virus neutralization, although these antigens should be considered alongside the envelope proteins as potential candidates for diagnostic and vaccine applications.
Systematic investigation of lycopene effects in LNCaP cells by use of novel large‐scale proteomic analysis software
Authors: Goo Young Ah , Li Zheng , Pajkovic Natasa , Shaffer Scott , Taylor Greg , Chen Jinzhi , Campbell David , Arnstein Larry , Goodlett David R. , van Breemen Richard B.
Published: April 2007

Lycopene, the red pigment of tomatoes, is a carotenoid with potent antioxidant properties. Although lycopene may function as a prostate cancer chemoprevention agent, little is known about its effects at the cellular level. To define general changes induced by treatment of cells with lycopene, and to gain insights into the possible chemoprevention properties of lycopene, we investigated changes in protein expression after lycopene treatment in human LNCaP cells. The high throughput proteomics data were then visualized and analyzed by novel biological protein pathway modeling software. Differentially expressed proteins were identified, and the data were analyzed by protein pathway simulation software, without the need for specialized programming, by importing pathway models from a number of sources or by creating our own. One notable outcome was the identification of a group of upregulated proteins involved in detoxification of reactive oxygen species. This finding suggests that a possible mechanism of lycopene chemoprevention is the stimulation of detoxification enzymes associated with the antioxidant response element. Novel biological pathway modeling software enhances analysis of large proteomics data. When applied to the analysis of proteins differentially expressed in prostate cancer cells upon treatment with lycopene, the up‐regulation of detoxification enzymes was identified.
Identification of gene products present in Triton X‐100 soluble and insoluble fractions of human spermatozoa lysates using LC‐MS/MS analysis
Authors: Baker Mark A. , Reeves Gabi , Hetherington Louise , Müller Jörg , Baur Inke , Aitken R. John
Published: April 2007

A comprehensive analysis of the proteins found in human spermatozoa is essential for understanding the events leading up to, and including, fertilization and development. Proteomics offers a platform for investigating this process, provided that the dynamic range is relatively low. In this report, spermatozoa from a number of human sperm ejaculates were isolated in a pure state using discontinuous Percoll gradient centrifugation. Triton X‐100 soluble and insoluble proteins were recovered and separated by SDS‐PAGE. The separation lanes were dissected into 96 fractions and analyzed individually by LC‐MSn. A comprehensive protocol, involving LC‐MS/MS analysis eventually down to the ninth most intense peak found in the MS‐survey scan, was performed. Analysis of purified human sperm populations resulted in the identification of 1056 gene products, of which approximately 8% have not previously been characterized. The data were supported by the large number of proteins represented by expressed sequence tags in the testis. Bioinformatic analysis demonstrated that 437 of the gene products were involved in various metabolic pathways including glycolysis and oxidative phosphorylation. The inventory of proteins present in the human sperm proteome includes a number of notable discoveries including the first description of a nicotinamide adenine dinucleotide phosphate oxidase, dual‐oxidase 2, finally laying to rest any doubts about the presence of such enzymes in spermatozoa. Furthermore, a number of different classes of receptor have also been detected in these cells and are potential regulators of sperm function. This list includes at least six seven‐pass transmembrane receptors, six tyrosine kinase receptors, a tyrosine phosphatase receptor, glutamate‐gated ion channel receptors, transient receptor potential cation channels, and a non‐genomic progesterone receptor. This is the first published list of identified proteins in human spermatozoa using LC‐MS/MS analysis.
Structure‐based protein engineering for α‐amylase inhibitory activity of plant defensin
Authors: Lin Ku‐Feng , Lee Tian‐Ren , Tsai Ping‐Hsing , Hsu Ming‐Pin , Chen Ching‐San , Lyu Ping‐Chiang
Published: April 2007

The structure of a novel plant defensin isolated from the seeds of the mung bean, Vigna radiate, has been determined by 1H nuclear magnetic resonance spectroscopy. The three‐dimensional structure of VrD2, the V. radiate plant defensin 2 protein, comprises an α‐helix and one triple‐stranded anti‐parallel β‐sheet stabilized by four disulfide bonds. This protein exhibits neither insecticidal activity nor α‐amylase inhibitory activity in spite of showing a similar global fold to that of VrD1, an insecticidal plant defensin that has been suggested to function by inhibiting insect α‐amylase. Our previous study proposed that loop L3 of plant defensins is important for this inhibition. Structural analyses and surface charge comparisons of VrD1 and VrD2 revealed that the charged residues of L3 correlate with the observed difference in inhibitory activities of these proteins. A VrD2 chimera that was produced by transferring the proposed functional loop of VrD1 onto the structurally equivalent loop of VrD2 supported this hypothesis. The VrD2 chimera, which differs by only five residues compared with VrD2, showed obvious activity against Tenebrio molitor α‐amylase. These results clarify the mode of α‐amylase inhibition of plant defensins and also represent a possible approach for engineering novel α‐amylase inhibitors. Plant defensins are important constituents of the innate immune system of plants, and thus the application of protein engineering to this protein family may provide an efficient method for protecting against crop losses. Proteins 2007. © 2007 Wiley‐Liss, Inc.
Protein docking using surface matching and supervised machine learning
Authors: Bordner Andrew J. , Gorin Andrey A.
Published: April 2007

Computational prediction of protein complex structures through docking offers a means to gain a mechanistic understanding of protein interactions that mediate biological processes. This is particularly important as the number of experimentally determined structures of isolated proteins exceeds the number of structures of complexes. A comprehensive docking procedure is described in which efficient sampling of conformations is achieved by matching surface normal vectors, fast filtering for shape complementarity, clustering by RMSD, and scoring the docked conformations using a supervised machine learning approach. Contacting residue pair frequencies, residue propensities, evolutionary conservation, and shape complementarity score for each docking conformation are used as input data to a Random Forest classifier. The performance of the Random Forest approach for selecting correctly docked conformations was assessed by cross‐validation using a nonredundant benchmark set of X‐ray structures for 93 heterodimer and 733 homodimer complexes. The single highest rank docking solution was the correct (near‐native) structure for slightly more than one third of the complexes. Furthermore, the fraction of highly ranked correct structures was significantly higher than the overall fraction of correct structures, for almost all complexes. A detailed analysis of the difficult to predict complexes revealed that the majority of the homodimer cases were explained by incorrect oligomeric state annotation. Evolutionary conservation and shape complementarity score as well as both underrepresented and overrepresented residue types and residue pairs were found to make the largest contributions to the overall prediction accuracy. Finally, the method was also applied to docking unbound subunit structures from a previously published benchmark set. Proteins 2007. © 2007 Wiley‐Liss, Inc.
pyDock: Electrostatics and desolvation for effective scoring of rigid‐body protein–protein docking
Authors: Cheng Tammy Man‐Kuang , Blundell Tom L. , Fernandez‐Recio Juan
Published: April 2007

The accurate scoring of rigid‐body docking orientations represents one of the major difficulties in protein–protein docking prediction. Other challenges are the development of faster and more efficient sampling methods and the introduction of receptor and ligand flexibility during simulations. Overall, good discrimination of near‐native docking poses from the very early stages of rigid‐body protein docking is essential step before applying more costly interface refinement to the correct docking solutions. Here we explore a simple approach to scoring of rigid‐body docking poses, which has been implemented in a program called pyDock. The scheme is based on Coulombic electrostatics with distance dependent dielectric constant, and implicit desolvation energy with atomic solvation parameters previously adjusted for rigid‐body protein–protein docking. This scoring function is not highly dependent on specific geometry of the docking poses and therefore can be used in rigid‐body docking sets generated by a variety of methods. We have tested the procedure in a large benchmark set of 80 unbound docking cases. The method is able to detect a near‐native solution from 12,000 docking poses and place it within the 100 lowest‐energy docking solutions in 56% of the cases, in a completely unrestricted manner and without any other additional information. More specifically, a near‐native solution will lie within the top 20 solutions in 37% of the cases. The simplicity of the approach allows for a better understanding of the physical principles behind protein–protein association, and provides a fast tool for the evaluation of large sets of rigid‐body docking poses in search of the near‐native orientation. Proteins 2007. © 2007 Wiley‐Liss, Inc.
Kaifeng Daoist temples in the Southern Song Dynasty Hangzhou: Research in actual examples of religious cultural changes
Authors: Yuming DUAN
Published: April 2007

The central government of the empire moved south from Kaifeng to Hangzhou after the collapse of the Northern Song Dynasty, resulting in some of the Daoist temples that were originally in Kaifeng to be re-established in Hangzhou. These reestablished temples were, for the most part, intimately related to the imperial politics. They were a manifestation of the continuation and legitimacy of the imperial regime and were a psychological confirmation of the safety of the regime and the imperial household. From this we can see, in the midst of religious cultural changes, how the basic cultural factors were interrelated with particular believers.
Research on the issue of “evil” in Wang Yangming’s thought
Authors: Lisheng CHEN
Published: April 2007

Wang Yangming’s discussions concerning evil mainly appear in two sets of texts, i.e., Chuanxilu 传习录 (Instructions for Practical Living) and gongyi 公移 (documents transferred to vertically unrelated departments). The former addresses evil in metaphysical terms, and the latter in social terms. These subtly different approaches show the nuance between self-cultivation and governance of others.
Justice as a virtue: An analysis of Aristotle’s virtue of justice
Authors: Xianzhong HUANG
Published: April 2007

People currently regard justice as the main principle of institutions and society, while in ancient Greek people took it as the virtue of citizens. This article analyzes Aristotle’s virtue of justice in his method of virtue ethics, discussing the nature of virtue, how justice is the virtue of citizens, what kind of virtue the justice of citizens is, and the prospect of the virtue of justice against a background of institutional justice. Since virtue can be said to be a specific individual character, Aristotle also defines the virtue of justice as the character of justice, with which citizens act justly and desire to do what is just. The virtue of justice is also an individual ethical virtue, differing from others for it is at the same time a social ethic. We can call the virtue of justice a “non-individual individual ethical virtue.” It has been explained as between pure altruism and egoism, which is a wrong explanation. John Rawls regards justice as the first virtue of social institutions, challenging Aristotle’s virtue of justice, an assertion which also needs further deliberation.
Investigating the Location of Propyl Gallate at Surfaces and Its Chemical Microenvironment by 1H NMR
Authors: Heins Anja , Sokolowski Tobias , Stöckmann Heiko , Schwarz Karin
Published: April 2007

The location and the resulting chemical microenvironment of the antioxidant propyl gallate (PG) was studied in micellar solutions using the cationic emulsifier cetyl trimethyl ammonium bromide (CTAB), the anionic emulsifier sodium dodecyl sulphate (SDS) and the non‐ionic emulsifier Brij 58 (polyoxyethylene‐20‐cetyl ester). T1 relaxation time of the aromatic protons of PG was investigated in micellar solutions and compared with that in aqueous solution in the absence of emulsifier. The relaxation time of the PG portion that is solubilized in the micelle (T1,eff) was calculated from the partition behavior of PG in micellar solution. From the 1D‐1H spectrum, the alteration in the electron density of the aromatic protons and the alteration in the peak shape of the emulsifier headgroup and alkyl chain proton signals were indicative of the location of propyl gallate in the different micelles. Nuclear Overhauser effects (NOE) made it possible to deduce the exact location of PG by calculation of the relative NOEs. Marked differences were found for the location of PG in CTAB, SDS and Brij 58 micelles. PG was found to be located in the palisade layer of CTAB micelles, in the region of the polyoxyethylene chain of Brij micelles and in the Stern layer of SDS micelles. For careful study of the location of antioxidants and therefore to be able to characterize the chemical microenvironment of the antioxidants is crucial for understanding differences in antioxidant activities as a function of lipid surfaces. The application of spectroscopic methods may help to optimize the antioxidant activity to inhibit lipid oxidation at surfaces that are formed in a wide range of foods (emulsions), cosmetics, pharmaceuticals (emulsions and carrier systems) and of biological membranes (LDL‐particles).
Effect of formaldehyde and resveratrol on the viability of Vero, HepG2 and MCF‐7 cells
Authors: Marcsek Z.L. , Kocsis Zs. , Szende B. , Tompa A.
Published: April 2007

A non‐transformed (Vero) and two tumor cell lines (HepG2 and MCF‐7) were treated with 10 nM to 100 μM formaldehyde. Lower doses (10 nM to 10 μM) enhanced the viability of the cultured cells, measured by MTT assay. Higher doses (75–100 μM) decreased viability of the cells by 50% or more. The 100 μM concentration of HCHO has been chosen for combination treatment of the three cell lines with a series of concentrations (0.2–100 μM) of resveratrol, a phytoestrogen occurring in various fruits. Resveratrol decreased the cytotoxicity of formaldehyde depending on cell line and point of time, especially in case of MCF‐7 cells at 24 and 72 h, Vero cells at 24 h and HepG2 cells at 48 h after treatment. Possible modes of interactions are discussed, considering the role of resveratrol in formaldehyde metabolism and also the estrogen receptor positivity of MCF‐7 cells.
Transporters for uptake and allocation of organic nitrogen compounds in plants
Authors: Rentsch Doris , Schmidt Susanne , Tegeder Mechthild
Published: April 2007

Nitrogen is an essential macronutrient for plant growth. Following uptake from the soil or assimilation within the plant, organic nitrogen compounds are transported between organelles, from cell to cell and over long distances in support of plant metabolism and development. These translocation processes require the function of integral membrane transporters. The review summarizes our current understanding of the molecular mechanisms of organic nitrogen transport processes, with a focus on amino acid, ureide and peptide transporters.
Extensive selection for the enrichment of G4 DNA motifs in transcriptional regulatory regions of warm blooded animals
Authors: Zhao Yiqiang , Du Zhuo , Li Ning
Published: April 2007

A comprehensive analysis of potential G4 DNA motifs (G4Ms) in genomic regions flanking transcription start sites (TSS) was performed across 13 animal species. We found that G4Ms are significantly enriched in the transcriptional regulatory regions (TRRs) of warm‐blooded animals. Further analysis of human genes in different temporal groups reveals that the enrichment is not specific to genes found only in warm‐blooded species but instead exist in a wide range of genes. Our findings therefore suggest that the high prevalence of G4Ms in TRRs is extensively selected in warm‐blooded animals, supporting the hypothesis that G4Ms are involved in the regulation of gene transcription.
Somatostatin induces rapid contraction of neuroendocrine cells
Authors: Saras Jan , Grönberg Malin , Stridsberg Mats , Öberg Kjell E. , Janson Eva T.
Published: April 2007

The peptide hormone somatostatin, as well as the somatostatin analog octreotide, induces rapid morphological changes in neuroendocrine cells. The effect can be detected in less than 2 min: retraction fibers are formed, cells round up and cell–cell contacts are broken. Somatostatin‐dependent cell contraction is inhibited by Y‐27632, indicating that this effect is dependent on Rho kinase. In BON1 cells, the somatostatin‐induced inhibition of forskolin‐induced secretion of chromogranin A is not blocked by Y‐27632. It is therefore concluded that the inhibitory effect of somatostatin in forskolin‐stimulated cells is not dependent on cell contraction.