bluuebunny/crossref_metadata_2025_split huggingface dataset:
Crystallographic Analysis of Metal‐Ion Binding to Human Ubiquitin
Authors: Arnesano Fabio , Belviso Benny Danilo , Caliandro Rocco , Falini Giuseppe , Fermani Simona , Natile Giovanni , Siliqi Dritan 
Published: December 2010

AbstractThe metal‐binding ability of human ubiquitin (hUb) towards a selection of biologically relevant metal ions and complexes has been probed. Different techniques have been used to obtain crystals suitable for crystallographic analysis. In the first type of experiments, crystals of hUb have been soaked in solutions containing copper(II) acetate and two metallodrugs, Zeise salt (K[PtCl3(η2‐C2H4)]⋅H2O) and cisplatin (cis‐[PtCl2(NH3)2]). The Zeise salt is used in a test for hepatitis, whereas cisplatin is one of the most powerful anticancer drugs in clinical use. The Zeise salt readily reacts with hUb crystals to afford an adduct with three platinum residues per protein molecule, Pt3–hUb. In contrast, copper(II) acetate and cisplatin were found to be unreactive for contact times up to one hour and to cause degradation of the hUb crystals for longer times. In the second type of experiments, hUb was cocrystallized with a solution of copper(II) or zinc(II) acetate or cisplatin. Zinc(II) acetate gives, at low metal‐to‐protein molar ratios (8:1), crystals containing one metal ion per three molecules of protein, Zn–hUb3 (already reported in previous work), whereas at high metal‐to‐protein ratios (70:1) gives crystals containing three ZnII ions per protein molecule, Zn3–hUb. In contrast, once again, copper(II) acetate and cisplatin, even at low metal‐to‐protein ratios, do not give crystalline material. In the soaking experiment, the Zeise anion leads to simultaneous platination of His68, Met1, and Lys6. Present and previous results of cocrystallization experiments performed with ZnII and other Group 12 metal ions allow a comprehensive understanding of the metal‐ion binding properties of hUb with His68 as the main anchoring site, followed by Met1 and carboxylic groups of Glu16, Glu18, Glu64, Asp21, and Asp32, to be reached. In the case of platinum, Lys6 can also be a binding site. The amount of bound metal ion, with respect to that of the protein, appears to be a relevant parameter influencing crystal packing.
Graphene‐Based Multifunctional Iron Oxide Nanosheets with Tunable Properties
Authors: Koo Hye Young , Lee Ha‐Jin , Go Hye‐Ah , Lee Young Boo , Bae Tae Sung , Kim Jun Kyung , Choi Won San 
Published: December 2010

AbstractWe report the synthesis of graphenes with tunable properties due to the growth of needlelike iron oxide (IO) nanoparticles on their surfaces. The electrical conductivity, flexibility, and magnetic properties of graphene nanosheets (GNSs) could be tuned on demand by fine controlling both the surface coverage and the length of the IO nanoneedles. The degree of coverage of the IO nanoparticles on the surface of the GNSs made it possible to control the resulting properties of the IO/GNSs on demand. As examples of their utility, paperlike materials were generated by simple filtration, and the resulting IO/GNS nanocomposites showed extraordinary removal capacity and fast adsorption rates for AsV and CrVI ions in water. Another possible application is the preparation of multifunctional films equipped with conductivity, flexibility, and magnetic properties. The fabrication process is easy to scale up at a low cost. In addition, both the colloidal solution and film forms of the resulting IO/GNSs were effective for removal of heavy metal ions, meaning this material could be utilized for actual industrial applications.
Designing Structural Motifs for Clickamers: Exploiting the 1,2,3‐Triazole Moiety to Generate Conformationally Restricted Molecular Architectures
Authors: Zornik Denise , Meudtner Robert M. , El Malah Tamer , Thiele Christina M. , Hecht Stefan 
Published: December 2010

AbstractNoncovalent interactions, especially hydrogen‐bonding interactions as well as electrostatic forces, confined within one macromolecule are the key to designing foldamers that adopt well‐defined conformations in solution. In the context of significant recent activities in the area of triazole‐connected foldamers, so‐called clickamers, we present a fundamental study that compares various model compounds that bear adjacent N‐, O‐, or F‐heteroatom substituents. The interplay of attractive and repulsive interactions leads to rotational constraints around the single bonds attached to both the 1‐ and 4‐positions of the 1,2,3‐triazole moiety and should therefore be able to induce well‐defined conformational preferences in higher oligomers and polymers, that is, foldamers. Various compounds were synthesized and characterized with regard to their preferred conformations in all three aggregation states—that is, in the gas phase, in solution as well as in the solid state—by employing DFT calculations, NMR spectroscopic experiments, and X‐ray crystallography, respectively. On the basis of the thus‐obtained general understanding of the conformational behavior of the individual connection motifs, heterostructures were prepared from different motifs without affecting their distinct folding characteristics. Therefore, this work provides a kind of foldamer construction kit, which should enable the design of various clickamers with specific shape and incorporated functionality.
The Effect of Sulfoxides on the Stereoselective Construction of Tetrahydrofurans: Total Synthesis of (+)‐Goniothalesdiol
Authors: Hernández‐Torres Gloria , Carreño M. Carmen , Urbano Antonio , Colobert Françoise 
Published: December 2010

AbstractGood to excellent stereoselectivities were achieved in the reductive cyclization (with Et3SiH/trimethylsilyl trifluoromethanesulfonate (TMSOTf)) of enantiopure hydroxy sulfinyl ketones en route to 2,5‐cis‐disubstituted tetrahydrofuran skeletons. Electrostatic effects of the exocyclic sulfoxide, which stabilized the reactive intermediate oxocarbenium conformations, were responsible for the observed stereocontrol. A model is proposed to explain the results. The use of this reaction and the asymmetric β‐ketosulfoxide reduction as key steps facilitated the total enantioselective synthesis of the natural β‐C‐aryl glycoside (+)‐goniothalesdiol.
Effects of Statin Treatment on Cardiac Function in Patients With Chronic Heart Failure: A Meta‐Analysis of Randomized Controlled Trials
Authors: Zhang Lei , Zhang Shuning , Jiang Hong , Sun Aijun , Zou Yunzeng , Ge Junbo 
Published: December 2010

AbstractBackgroundWhether additional benefit can be achieved with the use of statin treatment in patients with chronic heart failure (CHF) remains undetermined.HypothesisStatin treatment may be effective in improving cardiac function and ameliorating ventricular remodeling in CHF patients.MethodsThe PubMed, MEDLINE, EMBASE, and EBM Reviews databases were searched for randomized controlled trials comparing statin treatment with nonstatin treatment in patients with CHF. Two reviews independently assessed studies and extracted data. Weighted mean differences (WMD) with 95% confidence intervals (CI) were calculated using random effects models.ResultsEleven trials with 590 patients were included. Pooled analysis showed that statin treatment was associated with a significant increase in left ventricular ejection fraction (WMD: 3.35%, 95% CI: 0.80 to 5.91%, P = 0.01). The beneficial effects of statin treatment were also demonstrated by the reduction of left ventricular end‐diastolic diameter (WMD: −3.77 mm, 95% CI: −6.24 to −1.31 mm, P = 0.003), left ventricular end‐systolic diameter (WMD: −3.57 mm, 95% CI: −6.37 to −0.76 mm, P = 0.01), B‐type natriuretic peptide (WMD: −83.17 pg/mL, 95% CI: −121.29 to −45.05 pg/mL, P < 0.0001), and New York Heart Association functional class (WMD: −0.30, 95% CI: −0.37 to −0.23, P < 0.00001). Meta‐regression showed a statistically significant association between left ventricular ejection fraction improvement and follow‐up duration (P = 0.03).ConclusionsThe current cumulative evidence suggests that use of statin treatment in CHF patients may result in the improvement of cardiac function and clinical symptoms, as well as the amelioration of left ventricular remodeling. Copyright © 2011 Wiley Periodicals, Inc.Lei Zhang, MD, Shuning Zhang, MD, and Hong Jiang, MD, contributed equally to this work. This study was supported by the Key Projects in the National Science and Technology Pillar Program in the Eleventh Five‐year Plan Period (No. 2006BAI01A04), National Natural Science Foundation of China (No. 30871073), National High‐Tech Research and Development Program of China (No. 2006AA02A406), and Outstanding Youth Grant from National Natural Science Foundation of China (No. 30725036). This work was not funded by an industry sponsor. The authors have no other funding, ﬁnancial relationships, or conﬂicts of interest to disclose.Additional Supporting Information may be found in the online version of this article.
Flybrain neuron database: A comprehensive database system of the Drosophila brain neurons
Authors: Shinomiya Kazunori , Matsuda Keiji , Oishi Takao , Otsuna Hideo , Ito Kei 
Published: December 2010

AbstractThe long history of neuroscience has accumulated information about numerous types of neurons in the brain of various organisms. Because such neurons have been reported in diverse publications without controlled format, it is not easy to keep track of all the known neurons in a particular nervous system. To address this issue we constructed an online database called Flybrain Neuron Database (Flybrain NDB), which serves as a platform to collect and provide information about all the types of neurons published so far in the brain of Drosophila melanogaster. Projection patterns of the identified neurons in diverse areas of the brain were recorded in a unified format, with text‐based descriptions as well as images and movies wherever possible. In some cases projection sites and the distribution of the post‐ and presynaptic sites were determined with greater detail than described in the original publication. Information about the labeling patterns of various antibodies and expression driver strains to visualize identified neurons are provided as a separate sub‐database. We also implemented a novel visualization tool with which users can interactively examine three‐dimensional reconstruction of the confocal serial section images with desired viewing angles and cross sections. Comprehensive collection and versatile search function of the anatomical information reported in diverse publications make it possible to analyze possible connectivity between different brain regions. We analyzed the preferential connectivity among optic lobe layers and the plausible olfactory sensory map in the lateral horn to show the usefulness of such a database. J. Comp. Neurol. 519:807‐833, 2011. © 2010 Wiley‐Liss, Inc.
Differential expression of SNAP‐25 family proteins in the mouse brain
Authors: Yamamori Saori , Itakura Makoto , Sugaya Daichi , Katsumata Osamu , Sakagami Hiroyuki , Takahashi Masami 
Published: December 2010

AbstractSoluble N‐ethylmaleimide‐sensitive factor attachment protein (SNAP)‐25 is a neuronal SNARE protein essential for neurotransmitter release from presynaptic terminals. Three palmitoylated SNAP‐25 family proteins: SNAP‐25a, SNAP‐25b, and SNAP‐23, are expressed in the brain, but little is known about their distributions and functions. In the present study, we generated specific antibodies to distinguish these three homologous proteins. Immunoblot and immunohistochemical analyses revealed that SNAP‐25b was distributed in synapse‐enriched regions throughout almost the entire brain, whereas SNAP‐25a and SNAP‐23 were expressed in relatively specific brain regions with partially complementary expression patterns. SNAP‐25a and SNAP‐25b, but not SNAP‐23, were also present in the axoplasm of nerve fibers. The intracellular localization was also different, and although SNAP‐25b and SNAP‐23 were found primarily in membrane and lipid raft‐enriched fractions of mouse brain homogenates, a substantial amount of SNAP‐25a was recovered in soluble fractions. In PC12 cells, SNAP‐25b was localized to the plasma membrane, but SNAP‐25a and SNAP‐23 were distributed throughout the cytoplasm. The expression and distribution of these three proteins were also differentially regulated in the early postnatal period. These results indicate that the three SNAP‐25 family proteins display a differential distribution in the brain as well as in neuronal cells, and possibly play distinct roles. J. Comp. Neurol. 519:916–932, 2011. © 2010 Wiley‐Liss, Inc.
Patient‐specific computational biomechanics for simulating adolescent scoliosis surgery: Predicted vs clinical correction for a preliminary series of six patients
Authors: Little J. Paige , Adam Clayton 
Published: December 2010

AbstractScoliosis is a spinal deformity that requires surgical correction in progressive cases. In order to optimize surgery outcomes, patient‐specific finite element models are being developed by our group. In this paper, a single rod anterior correction procedure is simulated for a group of six scoliosis patients. For each patient, personalized model geometry was derived from low‐dose CT scans, and clinically measured intra‐operative corrective forces were applied. However, tissue material properties were not patient‐specific, being derived from existing literature. Clinically, the patient group had a mean initial Cobb angle of 47.3 ∘, which was corrected to 17.5 ∘ after surgery. The mean simulated post‐operative Cobb angle for the group was 18.1 ∘. Although this represents good agreement between clinical and simulated corrections, the discrepancy between clinical and simulated Cobb angle for individual patients varied between − 10.3 and + 8.6∘, with only three of the six patients matching the clinical result to within accepted Cobb measurement error of ±5∘. The results of this study suggest that spinal tissue material properties play an important role in governing the correction obtained during surgery, and that patient‐specific modelling approaches must address the question of how to prescribe patient‐specific soft tissue properties for spine surgery simulation. Copyright © 2010 John Wiley & Sons, Ltd.
Quantification of testosterone and metabolites released after alkaline treatment in human urine
Authors: Fabregat Andreu , Pozo Oscar J. , Marcos Josep , Segura Jordi , Ventura Rosa 
Published: December 2010

AbstractA rapid, accurate, and sensitive method based on liquid chromatography‐tandem mass spectrometry (LC‐MS/MS) for the quantification of the testosterone (T) fraction released under basic conditions and its metabolites 1,4‐androstadien‐3,17‐dione (1,4‐AD), 4,6‐androstadien‐3,17‐dione (4,6‐AD) and 4,6‐androstadien‐17β‐ol‐3‐one (6‐T) obtained in the same way has been developed and validated. Urine samples (5 ml) were alkalinized and the released analytes were extracted by liquid‐liquid extraction. The chromatographic separation was performed in 8 min. MS/MS determination was performed under selected reaction monitoring mode using electrospray ionization in positive mode. The method was shown to be linear from 0.05 to 50 ng/ml for 1,4‐AD, 6‐T and T while for 4,6‐AD the linearity from 0.5 to 500 ng/ml was demonstrated (r > 0.99). Limits of detection below 0.05 ng/ml were obtained for all analytes. Intra‐assay precision and accuracies, evaluated at three concentrations levels (0.1, 1 and 20 ng/ml) were below 20%. The applicability of the analytical method was confirmed by analysis of several samples collected from healthy volunteers and samples collected after oral testosterone undecanoate administration. The analytical method was found to be able to quantify the metabolites either at the low concentrations levels present in the urine from untreated volunteers or at the high concentrations found after T administration. Short analysis time, simple sample preparation, and satisfactory quantitative parameters make this method potentially useful for anti‐doping control purposes. Copyright © 2010 John Wiley & Sons, Ltd.
Chemiluminescence and electrochemiluminescence detection of controlled drugs
Authors: Adcock Jacqui L. , Barrow Colin J. , Barnett Neil W. , Conlan Xavier A. , Hogan Conor F. , Francis Paul S. 
Published: December 2010

AbstractWe review the determination of various controlled drugs (opioids, tranquilizers, stimulants, and hallucinogens) using flow‐analysis methodologies (flow injection analysis, high performance liquid chromatography, capillary electrophoresis, and microfluidic devices) with chemiluminescence and electrochemiluminescence reagents such as luminol, diaryloxalates, tris(2,2′‐bipyridine)ruthenium(II), permanganate, manganese(IV), and sulfite, for industrial, clinical, pharmaceutical, and forensic science applications. Copyright © 2010 John Wiley & Sons, Ltd.
Severe anorexia nervosa: Outcomes from a medical stabilization unit
Authors: Gaudiani Jennifer L. , Sabel Allison Lee , Mascolo Margherita , Mehler Philip S. 
Published: December 2010

AbstractObjective:We report data from the medical stabilization and refeeding of patients with severe anorexia nervosa admitted over a 15‐month period.Method:Through chart review and computerized data collection, we evaluated demographic and clinical data from 25 consecutive patients admitted to our medical stabilization unit from October 2008 to January 2010.Results:In this adult‐patient population with a median body mass index (BMI) of 13.1 kg/m2 (interquartile range, 11.0–14.4), 44% developed hypoglycemia, 76% had abnormal liver function, 83% had abnormal bone density, 45% developed refeeding hypophosphatemia, and 92% were hypothermic. Severe liver function abnormality predicted the development of hypoglycemia (p = 0.02, OR 9.78, CI: 1.55–61.65). No clinical features predicted hypophosphatemia, including admission BMI (p = 0.19), serum glucose level (p = 0.21), elevated liver function tests (p = 0.39 for AST), or initial amount of kilocalories consumed (p = 0.06).Discussion:Patients with the most severe cases of anorexia nervosa have a high prevalence of serious medical complications during initial refeeding. © 2010 by Wiley Periodicals, Inc. (Int J Eat Disord 2012)
New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N6‐Substituted Adenines – Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers (Eur. J. Inorg. Chem. 36/2010)
Authors: García‐Raso Angel , Fiol Juan J. , Albertí Francisca M. , Lagos Yolanda , Torres Marta , Barceló‐Oliver Miquel , Prieto María J. , Moreno Virtudes , Mata Ignasi , Molins Elies , Estarellas Carolina , Frontera Antonio , Quiñonero David , Deyà Pere M. 
Published: December 2010

AbstractThe cover picture shows two IrIII complexes with adenine derivatives that have been synthesized and characterized by spectroscopic techniques and by single‐crystal X‐ray diffraction studies. The interaction of IrIII‐adenine complexes and plasmidic DNA pBR322 has been analyzed. In all cases, iridium shows an octahedral geometry and is coordinated to four chlorido ligands, dimethyl sulfoxide (DMSO‐κS) and an adenine derivative. Two different coordination modes for adenine are observed, one through the N7 (kinetic product, right side of the picture) and the other one through the N9 atom (thermodynamic product, left side of the picture). Both mechanisms, which yield the different coordination products, have been studied by means of theoretical DFT calculations. Details are discussed in the article by A. García‐Raso, A. Frontera et al. on p. 5617 ff. The Christmas tree, which symbolizes the activation energy, is decorated with the crystal structure of an IrIII‐adenine complex, where the iridium atoms represent the Christmas ball ornaments.
Highly sensitive detection of melamine and its derivatives by capillary electrophoresis coupled with online preconcentration techniques
Authors: Jin Yue , Meng Lingchen , Li Meixian , Zhu Zhiwei 
Published: December 2010

AbstractTwo kinds of online preconcentration techniques including large‐volume sample stacking‐sweeping and selective‐exhaustive injection‐sweeping (SEI‐S) were employed in CE to develop a rapid, simple and sensitive method for determination of melamine (MM) and its derivatives such as ammeline (AMN), ammelide (AMD) and cyanuric acid (CA) in liquid milk products. Though the sensitivity of large‐volume sample stacking‐sweeping is not particularly high, it can be used to detect all the four compounds simultaneously. However, it is very difficult to improve the sensitivity of these four compounds by using single SEI‐S method directly, owing to their completely different extents of protonation or deprotonation. Grouping can solve this problem perfectly. After the four compounds are divided into two groups (MM/AMN and AMD/CA), cation‐SEI‐S or anion‐SEI‐S can be applied for their online stacking. In cation‐SEI‐S, the detection limits for MM and AMN were both 0.01 ng/mL based on the signal‐to‐noise ratio of 3. In anion‐SEI‐S, the detection limits were 0.05 and 0.02 ng/mL for CA and AMD, respectively. Results of this study show a great potential for the SEI‐S method to be a useful tool for the rapid and sensitive determination of MM and its derivatives in liquid milk products.
CZE separation of amitrol and triazine herbicides in environmental water samples with acid‐assisted on‐column preconcentration
Authors: Arribas Alberto Sánchez , Moreno Mónica , Bermejo Esperanza , Zapardiel Antonio , Chicharro Manuel 
Published: December 2010

AbstractA simple analytical scheme for the detection and quantification of amitrol and triazine herbicides (atrazine, ametryn and atraton) and degradation product (2‐hydroxyatrazine) in environmental water samples by CZE is reported. On‐column preconcentration of analytes from untreated water samples (mineral, spring, tap and river water) is accomplished by introducing an acid plug (200 mM citrate of pH 2.0) after the sample and then proceeding with the CZE separation, using 100 mM formiate buffer of pH 3.5 as running buffer and 25.0 KV as separation voltage. UV detection at 200 nm provides LODs from 50 to 300 nM in untreated samples and they were lowered tenfold by sample preconcentration by evaporation. Calculated recoveries were typically higher than 90%. Minimal detectable concentration of the electroactive amitrol could be decreased about 20‐fold when electrochemical detection was employed by monitoring the amperometric signal at +800 mV using a carbon paste electrode (LOD of 9.6 nM, 0.81 μg/L, versus 170 nM, 14.3 μg/L, using amperometric and UV detection, respectively) in untreated water samples.