bluuebunny/crossref_metadata_2025_split huggingface dataset:
First-principles investigation of the vibrational properties of 3-tert-butylcyclohexene
Authors: Gaál-Nagy Katalin 
Published: December 2009

Abstract
I present a first-principles investigation of the vibrational properties of the chiral molecule 3-tert-butylcyclohexene. The vibrational density of states (vDOS) of the two existing conformers has been calculated ab initio within the framework of density-functional theory and density-functional perturbation theory, using both the local-density approximation and the generalized-gradient approximation for the exchange-correlation potential. The vDOS of the two conformers are very similar. The vDOS has been investigated with respect to contributions of the cyclohexene ring and the tert-butyl group and also regarding the localization of vibrational modes. Additionally, the eigendisplacements of characteristic modes of 3-tert-butylcyclohexene have been analyzed.
Effect of aronia on thiol levels in plasma of breast cancer patients
Authors: Olas Beata , Kedzierska Magdalena , Wachowicz Barbara , Stochmal Anna , Oleszek Wieslaw , Jeziorski Arkadiusz , Piekarski Janusz , Glowacki Rafal 
Published: December 2009

AbstractThe various specific biomarkers of oxidative stress in plasma from patients with breast cancer, as well as biomarkers (the level of lipid hydroperoxides, conjugated dienes, thiobarbituric acid reactive substances) have been described. The aim of our present study was to evaluate the amount of low-molecular-weight thiols (which are physiological free radical scavengers) and establish the effects of the extract from A. melanocarpa on the amount of these thiols in plasma obtained from patients with invasive breast cancer, patients with benign breast diseases and from healthy volunteers. We observed in patients the higher amounts of homocysteine in plasma from patients in comparison to plasma from the control group; however the total level of glutathione, cysteine, cysteinylglycine, and the amount of thiols in reduced and oxidized forms was changed (e.g., in patients, the decrease of glutathione and cysteine reached about 50% of total values). Moreover, we showed that in the presence of the extract of A. melanocarpa (50 µg/mL, 5 min, 37°C), changes in amount of thiols in plasma from patients with invasive breast cancer and patients with benign breast diseases were significantly reduced in vitro. Considering the data presented in this study, we suggest that the extract from A. melanocarpa has an effect on thiol metabolism and the levels of all tested thiols observed in plasma obtained from breast cancer patients.
Thermochemical characterization of Ca4La6(SiO4)6(OH)2 a synthetic La- and OH-analogous of britholite: implication for monazite and LREE apatites stability
Authors: Janots Emilie , Brunet Fabrice , Goffé Bruno , Poinssot Christophe , Burchard Michael , Cemic Lado 
Published: December 2009

Thermochemical characterization of Ca4La6(SiO4)6(OH)2a synthetic La- and OH-analogous of britholite: implication for monazite and LREE apatites stabilityIn this contribution, monazite (LREEPO4) solubility is addressed in a chemical system involving REE-bearing hydroxylapatite, (Ca, LREE)10(PO4,SiO4)6(OH)2. For this purpose, a synthetic (La)- and (OH)-analogous of britholite, Ca4La6(SiO4)6(OH)2, was synthesised and its thermodynamic properties were measured. Formation enthalpy of -14,618.4±31.0 kJ·mol-1was obtained by high-temperature drop-solution calorimetry using a Tian-calvet twin calorimeter (Bochum, Germany) at 975 K using lead borate as solvent. Heat capacities (Cp) were measured in the 143-323 K and 341-623 K ranges with an automated Perkin-Elmer DSC 7. For calculations of solubility diagrams at 298 K, the GEMS program was used because it takes into account solid solutions. In conditions representative of those expected in nuclear waste disposal, calculations show that La-monazite is stable from pH = 4 to 9 with a minimum of solubility at pH = 7. La-bearing hydroxylapatite precipitates at pH > 7 with a nearly constant composition of 99% hydroxylapatite and 1% La-britholite. Each mineral buffers solution at extremely low lanthanum concentrations (log{La} = 10-10-10-15mol·kg-1for pH = 4 to 13). In terms of chemical durability, both La-monazite and La-rich apatite present low solubility, a requisite property for nuclear-waste forms.
Parametri Hemostaze U Holecistektomiji
Authors: Vodnik Tatjana , Vukosavljević Dragana , Kaljević Goran 
Published: December 2009

Parametri Hemostaze U HolecistektomijiPoznata je činjenica da se nakon operativnog zahvata razvija hiperkoagulabilno stanje. U ovom radu su prikazane vrednosti pojedinih parametara hemostaze kod pacijenata sa hroničnom upalom žKučne kese lečenih hirurškim putem. Operativni zahvat pri ovoj dijagnozi podrazumeva klasičnu OC metodu (tzv. open cholecystectomy) i laparoskopsku tj. LC metodu. To je bio i kriterijum za podelu u dve grupe od 20 pacijenata. Pacijenti s akutnom upalom žKučne kese su isključeni iz istražKivanja. Pored osnovnih rutinskih testova, PT i aPTT-a, koji nisu pokazali veće razlike određivani su i nivoi fibrinogena, antitrombina III, proteina C, plazminogena i D-dimera i to preoperativno, kao i 1, 2, 3, 5 i 7 dana nakon oparacije. Parametri su određivani na automatskom koagulometru firme Dade Behring, Behring Coagulation System, BCS, komercijalnim testovima istog proizvođača. Preoperativne vrednosti su bile kod svih ispitivanih pacijenata u granicama referentnih vrednosti. Plazma nivoi fibrinogena i D-dimera značajno su bili povećani u grupi OC dok su nivoi antitrombina III, proteina C i plazminogena snižKeni u obe grupe. Pacijenti su preventivno bili na terapiji fraksarinom. Rezultati istražKivanja su pokazali normalizaciju parametara hemostaze tri dana nakon operacije u grupi LC odnosno sedam dana u grupi OC. Prednost LC metode u odnosu na OC metodu ogleda se ne samo u smislu smanjene hirurške traume nego i manjim akutno faznim odgovorom iskazanim parametrima hemostaze i smanjenim rizikom od tromboembolijskih komplikacija.
The Importance of Holotranscobalamin Measurement
Authors: Čabarkapa Velibor , Stošić Zoran , Žeravica Radmila , Ilinčić Branislava , Filipović Ana 
Published: December 2009

The Importance of Holotranscobalamin MeasurementClinically significant vitamin B12deficiency can occur even with total vitamin B12levels apparently within normal range. There is an indeterminate zone between approximately 154 and 300 pmol/L of vitamin B12where there is likely misclassification of B12status if relying on total serum B12. The aim of the present study was to assess the usefulness of holotranscobalamin in diagnosis of B12deficiency. Blood samples were collected and subjected to assays for vitamin B12and holotranscobalamin. We examined the levels of holotranscobalamin in 32 subjects (n=32, f=18, m=14) with vitamin B12values within interval 154-300 pmol/L. These subjects were compared with control group with vitamin B12>300 pmol/L (n=31, f=17, m=14). 25% of subjects with vitamin B12of 154 to 300 pmol/L had low levels of holotranscobalamin. Holotranscobalamin levels of patients with vitamin B12of 154 to 300 pmol/L were significantly lower than those of control subjects (38.55 ± 23.0 vs. 61.35 ± 31.81 pmol/L, p<0.01). The obtained results also show a positive significant relationship between levels of holotranscobalamin and vitamin B12(r=0.53, p<0.01). In conclusion, holotranscobalamin is a better indicator of early vitamin B12deficiency than total serum cobalamins and it is a useful tool in the diagnosis of vitamin B12deficiency.
The Investigation of Cytokines and Oxidative Stress in Patients with Systemic Lupus Erythematosus
Authors: Zvezdanović Lilika , Đorđević Vidosava , Ćosić Vladan , Cvetković Tatjana , Kundalić Slavica , Stanković Aleksandra 
Published: December 2009

The Investigation of Cytokines and Oxidative Stress in Patients with Systemic Lupus ErythematosusNumerous factors can influence the onset of SLE and development of some clinical disease manifestations with various organ involvements and occurrence of characteristic symptoms and disease signs. This paper studies the balance between proinflammatory and antiinflammatory cytokines, investigates the presence of oxidative stress measuring certain prooxidative factors and determines the activation of antioxidative protection pathways aiming to establish possible correlations between the studied parameters. ELISA, enzymatic spectrophotometry and colorimetric methods were used to determine the above-mentioned parameters. The results obtained indicate that disturbed pro/antioxidative status is associated with the change of antioxidative factors, with the fall od SOD activity and increase of GPx and CAT activity in the erythrocytes of all studied groups of patients. At the same time, the cytokine production was altered, not only compared to the healthy control samples, but also in various clinical disease manifestations. Altered relationships of pro and antiinflammatory cytokines and the consequential disorders of other studied systems provide us with useful strategic targets for diagnostic monitoring and possible therapeutic interventions in SLE patients.
FV-100: The Most Potent and Selective Anti-Varicella Zoster Virus Agent Reported to Date
Authors: Migliore Marco 
Published: December 2009

Bicyclic aryl furano pyrimidines represent the most potent anti-varicella zoster virus (VZV) agents reported to date. Lead compounds have 50% effective concentration (EC50) values in vitro that are in the subnanomolar range and selectivity index values that exceed 1 million. They have an absolute requirement for VZV thymidine kinase and most likely act as their phosphate forms. Some structural modification (such as aryl substitution in the base moiety) is tolerated, whereas little sugar modification is acceptable. The Cf1743 compound has proved to be significantly more potent than all reference anti-VZV compounds, as measured either by inhibition of infectious virus particles and/or viral DNA production; however, the high lipophilicity and very low water solubility of this compound gives poor oral bioavailability (<14%). Use of the modified cyclodextrin captisol and the synthesis of the 5′-monophosphate prodrug of Cf1743 has significantly improved water solubility, but does not give any enhancement in oral bioavailability. By contrast, the synthesis of the ether series does not give any further improvement in terms of solubility. The most promising prodrug to emerge to date is the hydrochloric salt of the 5′-valyl-ester, designated as FV-100. Its uptake into cells has been studied using fluorescent microscopy and biological assays, which have indicated that the compound is efficiently taken up by the cells after a short period of incubation.
Acrolein and Derivatives
Authors: Etzkorn William G. 
Published: December 2009

AbstractApproximately 350 kt of acrolein are produced annually, worldwide. Most demand for acrolein is in the preparation of methionine. Much larger quantities of crude acrolein are produced as an intermediate in the production of acrylic acid. Most of the acrylic acid produced worldwide is by the captive oxidation of acrolein. Of a wide variety of other derivatives, only a few (glutaraldehyde, pyrans) are made in 1000 ton per year or larger quantities, although the potential exists for many others. The narrow commercial markets and acrolein's extreme reactivity and toxicity have limited producers to only a few. Acrolein's toxicity, which has limited the development of derivative products and processes, provides its major direct use, as a biocide and sulfur scavenger in the petroleum industry, and as a herbicide in irrigation systems.Acrolein is produced by the vapor‐phase oxidation of propylene, and the catalyst developments which are responsible for today's processes have been driven primarily by the acrylic acid manufacturers.The chemical technology for manufacturing acrolein along with the pertinent analytical methods and health, safety, and environment issues surrounding acrolein manufacture and storage are discussed. The chemistry to produce major acrolein derivative products as well as a variety of potentially useful acrolein derivatives is summarized.
Bioremediation
Authors: Prince Roger C. 
Published: December 2009

AbstractBioremediation is the process of judiciously exploiting biological processes to minimize an unwanted environmental impact; usually the aim is the removal of a contaminant from the biosphere. Like most definitions in biology, that of bioremediation is the subject of some debate. A narrow definition might focus on the conversion of contaminating organic molecules to CO2, water, and inorganic ions, and the oxidation or reduction of contaminating inorganic ions such as nitrate or ammonia to harmless forms, in this case nitrogen gas. A broader definition would include biological processes for ameliorating extremes of pH, concentrating contaminants so that they can be more easily removed by physical techniques, converting toxic species to less toxic or less bioavailable forms that pose less of a threat to the environment, and restoring functional ecosystems to contaminated or disturbed sites when the contaminants or disturbance cannot be removed.
Coated Fabrics
Authors: Barden Bruce 
Published: December 2009

Abstract
A coated fabric is an engineered product derived by a combination of textile and polymer coating technology. The textile substrate is chosen based on a knowledge of the strength and dimensional control requirements of the finished product. The coating is is chosen for its specific properties such as abrasion resistance, oil resistance, resistance to leaching, etc. For many years, the textile component has been wool or cotton. Polyesters and nylon are now the most common of the fibers used. Rubber and synthetic elastomers, polyurethane, and poly(vinyl chloride) are the main polymeric coating components. Coated fabrics can be prepared by lamination, direct calendering, direct coating, or transfer coating. Protective clothing for the military and first responders and use in the motor vehicle industry (air bags, upholstery, etc) use the largest amount of coated fabrics. The manufacture of coated fabrics is subject to OSHA standards.
Fluorescent Pigments (Daylight)
Authors: Streitel Steven G. 
Published: December 2009

AbstractDaylight fluorescent pigments are luminescent materials that require no artificially generated energy to reflect colored light and give off fluorescent light. Fluorescent pigments are composed of dyed organic polymers that are formulated to be solvents for the fluorescent dyestuff. In contrast to ordinary colors, light emitted from fluorescent color add to the light returned by simple reflection to give the glow characteristic of daylight‐fluorescent materials. This article gives history and the theory behind fluorescent dyes. Most dyes are manufactured by bulk pigment polymerization. Many dyes are based on formaldehyde, but non‐formaldehyde dyes have been developed in response to environmental concerns. Daylight fluorescent dyes are considered nontoxic. Their uses are many because of their extremely high visibility and ability to attract attention. Among the many uses are in advertising, road safety, protective clothing, optical sensing in coding and tracing of documents, inks, biomedical applications, and consumer products such as toys, paints, pens, and bottles.
Inorganic High Polymers
Authors: Roy Aroop K. 
Published: December 2009

Abstract
Inorganic polymers embrace a very large number of elements and compounds that are constructed of units bonded together in some type of repetitive fashion with the requirement that the element carbon be excluded from the backbone of these repeating units. Some of the most common examples are the metals, as well as naturally occurring silicate minerals and silica. This article covers linear, mainly covalent macromolecules where the skeletal repeat unit is composed of primarily noncarbon elements. Inorganic polymer development has not kept pace with organic polymer development. However, preparation of inorganic polymers produce materials whose special properties are unlikely to be obtained from carbon‐based polymers. Polyphosphazenes and polysilanes have been studied extensively and are discussed here. Discussions of polyalkyl/aryloxothiazenes, polygermanes, and polystannes are included. Some applications include in the following fields: biomedical, optical materials, elastomers, flame retardants, photoinitiation, and light emitting materials.
Laminated Materials, Plastic
Authors: Keeling Ronald J. 
Published: December 2009

AbstractLaminates are plastic forms made by stacking and pressing layers of sheets of plastic, which are pressed together to form a multilayered structure. Most common laminates are pressed and cured layers of resin‐soaked sheets of paper, fiber, or fabric known as reinforcing agents or reinforcements. The fibers or fabrics used are most commonly glass or certain polymeric fibers or fabrics. The usual resins are thermosets such as melamines, phenolics, polyesters, and epoxies. Reinforced plastics, particularly laminates, are anisotropic, ie, their properties differ depending on the direction of measurement. Aesthetic properties are of greatest concern in decorative laminates. Physical properties are more important for industrial laminates. Important uses for decorative laminates are as wall systems, panels, furniture, flooring, and counter tops. Industrial laminates are used in electrical panels and boards, tags, gears, bearings, and rollers to name a few. Grades for both types of laminates are given. Laminates are considered inert and safe to use.
Structure and properties of cross‐linked polyurethane copolymers
Authors: Oprea S. 
Published: December 2009

AbstractPolyurethane elastomers based on polyester diols and aromatic or aliphatic diisocyanates can be used as vibration dampers and isolation materials. Two series of cross‐linked polyurethanes with various hard segment structures and different amounts were prepared and thermomechanical properties of these materials were studied. Cross‐linked polyurethane copolymers composed of poly(ethylene adipate)diol as soft segment and 4,4′‐methylenebis(phenylisocyanate), 1,6‐hexamethylene diisocyanate, and diols glycerin, 1,4‐butanediol, and 1,6‐hexanediol as hard segments were synthesized by a two‐step process. The networks have been prepared by end‐linking a mixture of the bifunctional precursor chains with trifunctional cross‐linkers at off‐stoichiometric ratios. The results show that the cross‐link and the polyurethane hard segment interaction play a special role in the interconnected chain density and its magnitude is revealed by the mechanical properties. Of most importance, maximum stress, tensile modulus, and elongation at break increased significantly at the 22 wt % composition of hard segment content. Interchain cross‐linking improves thermal stability, which was measured by thermogravimetric analysis and differential scanning calorimetry. Cross‐linked polyurethane behaves as an elastomer and is useful for shock, noise, and vibration control. © 2009 Wiley Periodicals, Inc. Adv Polym Techn 28:165–172, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/adv.20155
Frustrated Lewis Pairs: Metal‐free Hydrogen Activation and More
Authors: Stephan Douglas W. , Erker Gerhard 
Published: December 2009

AbstractSterically encumbered Lewis acid and Lewis base combinations do not undergo the ubiquitous neutralization reaction to form “classical” Lewis acid/Lewis base adducts. Rather, both the unquenched Lewis acidity and basicity of such sterically “frustrated Lewis pairs (FLPs)” is available to carry out unusual reactions. Typical examples of frustrated Lewis pairs are inter‐ or intramolecular combinations of bulky phosphines or amines with strongly electrophilic RB(C6F5)2 components. Many examples of such frustrated Lewis pairs are able to cleave dihydrogen heterolytically. The resulting H+/H− pairs (stabilized for example, in the form of the respective phosphonium cation/hydridoborate anion salts) serve as active metal‐free catalysts for the hydrogenation of, for example, bulky imines, enamines, or enol ethers. Frustrated Lewis pairs also react with alkenes, aldehydes, and a variety of other small molecules, including carbon dioxide, in cooperative three‐component reactions, offering new strategies for synthetic chemistry.
Controlled release of theophylline from interpenetrating blend microspheres of poly(vinyl alcohol) and methyl cellulose
Authors: Sullad Anita G. , Manjeshwar Lata S. , Aminabhavi Tejraj M. 
Published: December 2009

AbstractInterpenetrating polymer network (IPN) microspheres of poly(vinyl alcohol) (PVA) and methylcellulose (MC) prepared by a water‐in‐oil emulsion method were crosslinked by glutaraldehyde and loaded with theophylline (THP), an antiasthmatic drug, with various ratios of PVA to MC. Microspheres were characterized with X‐ray diffraction to determine the crystalline nature of the drug after encapsulation. Fourier transform infrared spectroscopy was used to assess the formation of the IPN structure and to confirm the absence of chemical interactions between the drug, polymer, and crosslinking agent. Differential scanning calorimetry confirmed the molecular‐level distribution of THP in the polymer matrix, whereas scanning electron microscopy suggested the formation of clustered spherical particles. Zetasizer indicated that the particle sizes ranged from 4 to 57 μm. A THP encapsulation efficiency of up to 84% was achieved, as confirmed by ultraviolet spectrophotometry. Dynamic/equilibrium swelling experiments performed in pH 7.4 buffer media provided important information on drug diffusion characteristics. In vitro release studies performed in pH 1.2 and 7.4 buffer media indicated that the drug release depended on the extent of crosslinking as well as the amount of MC in the microspheres. Drug release was extended up to 3 h, and the results, as analyzed with an empirical equation, indicated non‐Fickian transport for the release of THP. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Embryo‐fetal developmental toxicity study design for pharmaceuticals
Authors: Wise L. David , Buschmann Jochen , Feuston Maureen H. , Fisher J. Edward , Hew Kok Wah , Hoberman Alan M. , Lerman Steven A. , Ooshima Yojiro , Stump Donald G. 
Published: December 2009

AbstractAssessment of potential developmental and reproductive toxicity of human pharmaceuticals is currently guided by the International Conference on Harmonization (ICH) S5(R2) document (available at http://www.ich.org). The studies that assess developmental hazard are generally conducted in rodents and rabbits. Based on the authors' collective experience, adequate designs (including range‐finding studies) and the presentation of data for these studies are described in detail. In addition, the suggested initiation and then total duration of these studies in relation to clinical studies that enroll women of childbearing potential are described. Optional parameters that may be included in the studies are discussed, as are study designs that combine assessments of fertility and developmental toxicity. New methods that may replace or enhance current procedures are outlined. The details described herein will assist all laboratories performing these studies, individuals who need to plan for the studies, and regulatory agencies that ultimately review these studies. Birth Defects Res (Part B) 86:418–428, 2009. © 2009 Wiley‐Liss, Inc.