WorldWideScience

Sample records for biological cupric complexes

  1. Leaching of complex sulphide concentrate in acidic cupric chloride solutions

    Institute of Scientific and Technical Information of China (English)

    M. TCHOUMOU; M. ROYNETTE

    2007-01-01

    The chemical analysis of a complex sulphide concentrate by emission spectrometry and X-ray diffraction shows that it contains essentially copper, lead, zinc and iron in the form of chalcopyrite, sphalerite and galena. A small amount of pyrite is also present in the ore but does not be detected with X-ray diffraction. The cupric chloride leaching of the sulphide concentrate at various durations and solid/liquid ratios at 100 ℃ shows that the rate of dissolution of the ore is the fastest in the first several hours, and after 12 h it does not evolve significantly. If oxygen is excluded from the aqueous cupric chloride solution during the leaching experiment at 100 ℃, the pyrite in the ore will not be leached. The determination of principal dissolved metals in the leaching liquor by flame atomic absorption spectrometry, and the chemical analysis of solid residues by emission spectrometry and X-ray diffraction allow to conclude that the rate of dissolution of the minerals contained in the complex sulphide concentrate are in the order of galena>sphalerite>chalcopyrite.

  2. Mechanistic insights into the oxidation of substituted phenols via hydrogen atom abstraction by a cupric-superoxo complex.

    Science.gov (United States)

    Lee, Jung Yoon; Peterson, Ryan L; Ohkubo, Kei; Garcia-Bosch, Isaac; Himes, Richard A; Woertink, Julia; Moore, Cathy D; Solomon, Edward I; Fukuzumi, Shunichi; Karlin, Kenneth D

    2014-07-16

    To obtain mechanistic insights into the inherent reactivity patterns for copper(I)-O2 adducts, a new cupric-superoxo complex [(DMM-tmpa)Cu(II)(O2(•-))](+) (2) [DMM-tmpa = tris((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)amine] has been synthesized and studied in phenol oxidation-oxygenation reactions. Compound 2 is characterized by UV-vis, resonance Raman, and EPR spectroscopies. Its reactions with a series of para-substituted 2,6-di-tert-butylphenols (p-X-DTBPs) afford 2,6-di-tert-butyl-1,4-benzoquinone (DTBQ) in up to 50% yields. Significant deuterium kinetic isotope effects and a positive correlation of second-order rate constants (k2) compared to rate constants for p-X-DTBPs plus cumylperoxyl radical reactions indicate a mechanism that involves rate-limiting hydrogen atom transfer (HAT). A weak correlation of (k(B)T/e) ln k2 versus E(ox) of p-X-DTBP indicates that the HAT reactions proceed via a partial transfer of charge rather than a complete transfer of charge in the electron transfer/proton transfer pathway. Product analyses, (18)O-labeling experiments, and separate reactivity employing the 2,4,6-tri-tert-butylphenoxyl radical provide further mechanistic insights. After initial HAT, a second molar equiv of 2 couples to the phenoxyl radical initially formed, giving a Cu(II)-OO-(ArO') intermediate, which proceeds in the case of p-OR-DTBP substrates via a two-electron oxidation reaction involving hydrolysis steps which liberate H2O2 and the corresponding alcohol. By contrast, four-electron oxygenation (O-O cleavage) mainly occurs for p-R-DTBP which gives (18)O-labeled DTBQ and elimination of the R group.

  3. Information Complexity and Biology

    Science.gov (United States)

    Bagnoli, Franco; Bignone, Franco A.; Cecconi, Fabio; Politi, Antonio

    Kolmogorov contributed directly to Biology in essentially three problems: the analysis of population dynamics (Lotka-Volterra equations), the reaction-diffusion formulation of gene spreading (FKPP equation), and some discussions about Mendel's laws. However, the widely recognized importance of his contribution arises from his work on algorithmic complexity. In fact, the limited direct intervention in Biology reflects the generally slow growth of interest of mathematicians towards biological issues. From the early work of Vito Volterra on species competition, to the slow growth of dynamical systems theory, contributions to the study of matter and the physiology of the nervous system, the first 50-60 years have witnessed important contributions, but as scattered pieces apparently uncorrelated, and in branches often far away from Biology. Up to the 40' it is hard to see the initial loose build up of a convergence, for those theories that will become mainstream research by the end of the century, and connected by the study of biological systems per-se.

  4. Promotion of hexadecyltrimethyleamine bromide to the damage of Alexandrium sp. LC3 by cupric glutamate

    Institute of Scientific and Technical Information of China (English)

    LI Hao; MIAO Jin-lai; CUI Feng-xia; LI Guang-you

    2006-01-01

    The effect of hexadecyltrimethyleamine bromide (HDTMAB) on the removal of A lexandrium sp. LC3 under cupric glutamate stress was investigated. Toxic effect of cupric glutamate on A lexandrium sp. LC3 was significantly promoted in the presence of HDTMAB, especially at 3.0 cmc of HDTMAB. It was found that the sulfhydryl group content of the cell decreased, while the malonaldehyde content and membrane permeability increased when Alexandrium sp. LC3 was treated with HDTMAB and cupric glutamate complex, compared with cupric glutamate alone. The data suggest that HDTMAB might stimulate the damage of A lexandrium sp. LC3 by enhancing the membrane permeability.

  5. Magnetic disorder in cupric oxide

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, S.J.; Borzi, R.A.; Mercader, R.C. [Universidad Nacional de La Plata, C.C. 67, Departamento de Fisica, Facultad de Ciencias Exactas (Argentina)

    1999-11-15

    Investigations of the abnormal magnetic properties of cupric oxide reveal discrepancies between both experimental results and theoretical explanations. Through iron-doping cupric oxide by ball-milling and thermal treatments we have been able to obtain Moessbauer results that are an experimental evidence of semi-disorder. The magnetic hyperfine field of the Cu{sub 0.995}Fe{sub 0.005}O solid solution displays a spin-glass-like thermal dependence that undergoes two transitions, one at about 150 K, that can be assigned to the long-range ordering of the cupric oxide spins, and the second one at some temperature between 4.2 and 15 K, that exposes either the freezing of the Fe{sup 3+} spins into a local canted state or of magnetic clusters in the CuO matrix.

  6. Complexity, Information and Biological Organisation

    Directory of Open Access Journals (Sweden)

    Attila Grandpierre

    2005-12-01

    Full Text Available Regarding the widespread confusion about the concept and nature of complexity, information and biological organization, we look for some coordinated conceptual considerations corresponding to quantitative measures suitable to grasp the main characteristics of biological complexity. Quantitative measures of algorithmic complexity of supercomputers like Blue Gene/L are compared with the complexity of the brain. We show that both the computer and the brain have a more fundamental, dynamic complexity measure corresponding to the number of operations per second. Recent insights suggest that the origin of complexity may go back to simplicity at a deeper level, corresponding to algorithmic complexity. We point out that for physical systems Ashby’s Law, Kahre’s Law and causal closure of the physical exclude the generation of information, and since genetic information corresponds to instructions, we are faced with a controversy telling that the algorithmic complexity of physics is much lower than the instructions’ complexity of the human DNA: I_algorithmic(physics ~ 10^3 bit << I_instructions(DNA ~ 10^9 bit. Analyzing the genetic complexity we obtain that actually the genetic information corresponds to a deeper than algorithmic level of complexity, putting an even greater emphasis to the information paradox. We show that the resolution of the fundamental information paradox may lie either in the chemical evolution of inheritance in abiogenesis, or in the existence of an autonomous biological principle allowing the production of information beyond physics.

  7. Complexes of Nitrocellulose with Cupric Chloride,

    Science.gov (United States)

    1985-11-01

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  8. Understanding biological complexity: lessons from the past.

    Science.gov (United States)

    Weiss, James N; Qu, Zhilin; Garfinkel, Alan

    2003-01-01

    Advances in molecular biology now permit complex biological systems to be tracked at an exquisite level of detail. The information flow is so great, however, that using intuition alone to draw connections is unrealistic. Thus, the need to integrate mathematical biology with experimental biology is greater than ever. To achieve this integration, obstacles that have traditionally prevented effective communication between theoreticians and experimentalists must be overcome, so that experimentalists learn the language of mathematics and dynamical modeling and theorists learn the language of biology. Fifty years ago Alan Hodgkin and Andrew Huxley published their quantitative model of the nerve action potential; in the same year, Alan Turing published his work on pattern formation in activator-inhibitor systems. These classic studies illustrate two ends of the spectrum in mathematical biology: the detailed model approach and the minimal model approach. When combined, they are highly synergistic in analyzing the mechanisms underlying the behavior of complex biological systems. Their effective integration will be essential for unraveling the physical basis of the mysteries of life.

  9. Insights into Biological Complexity from Simple Foundations.

    Science.gov (United States)

    Albergante, L; Liu, D; Palmer, S; Newman, T J

    2016-01-01

    We discuss an overtly "simple approach" to complex biological systems borrowing selectively from theoretical physics. The approach is framed by three maxims, and we show examples of its success in two different applications: investigating cellular robustness at the level of gene regulatory networks and quantifying rare events of DNA replication errors.

  10. Modelling biological complexity: a physical scientist's perspective.

    Science.gov (United States)

    Coveney, Peter V; Fowler, Philip W

    2005-09-22

    We discuss the modern approaches of complexity and self-organization to understanding dynamical systems and how these concepts can inform current interest in systems biology. From the perspective of a physical scientist, it is especially interesting to examine how the differing weights given to philosophies of science in the physical and biological sciences impact the application of the study of complexity. We briefly describe how the dynamics of the heart and circadian rhythms, canonical examples of systems biology, are modelled by sets of nonlinear coupled differential equations, which have to be solved numerically. A major difficulty with this approach is that all the parameters within these equations are not usually known. Coupled models that include biomolecular detail could help solve this problem. Coupling models across large ranges of length- and time-scales is central to describing complex systems and therefore to biology. Such coupling may be performed in at least two different ways, which we refer to as hierarchical and hybrid multiscale modelling. While limited progress has been made in the former case, the latter is only beginning to be addressed systematically. These modelling methods are expected to bring numerous benefits to biology, for example, the properties of a system could be studied over a wider range of length- and time-scales, a key aim of systems biology. Multiscale models couple behaviour at the molecular biological level to that at the cellular level, thereby providing a route for calculating many unknown parameters as well as investigating the effects at, for example, the cellular level, of small changes at the biomolecular level, such as a genetic mutation or the presence of a drug. The modelling and simulation of biomolecular systems is itself very computationally intensive; we describe a recently developed hybrid continuum-molecular model, HybridMD, and its associated molecular insertion algorithm, which point the way towards the

  11. Systems biology: confronting the complexity of cancer.

    Science.gov (United States)

    Gentles, Andrew J; Gallahan, Daniel

    2011-09-15

    The AACR-NCI Conference "Systems Biology: Confronting the Complexity of Cancer" took place from February 27 to March 2, 2011, in San Diego, CA. Several themes resonated during the meeting, notably (i) the need for better methods to distill insights from large-scale networks, (ii) the importance of integrating multiple data types in constructing more realistic models, (iii) challenges in translating insights about tumorigenic mechanisms into therapeutic interventions, and (iv) the role of the tumor microenvironment, at the physical, cellular, and molecular levels. The meeting highlighted concrete applications of systems biology to cancer, and the value of collaboration between interdisciplinary researchers in attacking formidable problems.

  12. Complexity through Recombination: From Chemistry to Biology

    Directory of Open Access Journals (Sweden)

    Carolina Díaz Arenas

    2010-12-01

    Full Text Available Recombination is a common event in nature, with examples in physics, chemistry, and biology. This process is characterized by the spontaneous reorganization of structural units to form new entities. Upon reorganization, the complexity of the overall system can change. In particular the components of the system can now experience a new response to externally applied selection criteria, such that the evolutionary trajectory of the system is altered. In this work we explore the link between chemical and biological forms of recombination. We estimate how the net system complexity changes, through analysis of RNA-RNA recombination and by mathematical modeling. Our results underscore the importance of recombination in the origins of life on the Earth and its subsequent evolutionary divergence.

  13. Stochastic Physics, Complex Systems and Biology

    CERN Document Server

    Qian, Hong

    2012-01-01

    In complex systems, the interplay between nonlinear and stochastic dynamics gives rise to an evolution process in Darwinian sense with punctuated equilibrium, random "mutations" and "adaptations". The emergent discrete states in such a system, i.e., attractors, have natural robustness against both internal and external perturbations. Epigenetic states of a biological cell, a mesoscopic nonlinear stochastic open biochemical system, could be understood through such a framework.

  14. Complex biological and bio-inspired systems

    Energy Technology Data Exchange (ETDEWEB)

    Ecke, Robert E [Los Alamos National Laboratory

    2009-01-01

    The understanding and characterization ofthe fundamental processes of the function of biological systems underpins many of the important challenges facing American society, from the pathology of infectious disease and the efficacy ofvaccines, to the development of materials that mimic biological functionality and deliver exceptional and novel structural and dynamic properties. These problems are fundamentally complex, involving many interacting components and poorly understood bio-chemical kinetics. We use the basic science of statistical physics, kinetic theory, cellular bio-chemistry, soft-matter physics, and information science to develop cell level models and explore the use ofbiomimetic materials. This project seeks to determine how cell level processes, such as response to mechanical stresses, chemical constituents and related gradients, and other cell signaling mechanisms, integrate and combine to create a functioning organism. The research focuses on the basic physical processes that take place at different levels ofthe biological organism: the basic role of molecular and chemical interactions are investigated, the dynamics of the DNA-molecule and its phylogenetic role are examined and the regulatory networks of complex biochemical processes are modeled. These efforts may lead to early warning algorithms ofpathogen outbreaks, new bio-sensors to detect hazards from pathomic viruses to chemical contaminants. Other potential applications include the development of efficient bio-fuel alternative-energy processes and the exploration ofnovel materials for energy usages. Finally, we use the notion of 'coarse-graining,' which is a method for averaging over less important degrees of freedom to develop computational models to predict cell function and systems-level response to disease, chemical stress, or biological pathomic agents. This project supports Energy Security, Threat Reduction, and the missions of the DOE Office of Science through its efforts to

  15. Life: An Introduction to Complex Systems Biology

    CERN Document Server

    Kaneko, Kunihiko

    2006-01-01

    What is life? Has molecular biology given us a satisfactory answer to this question? And if not, why, and how to carry on from there? This book examines life not from the reductionist point of view, but rather asks the question: what are the universal properties of living systems and how can one construct from there a phenomenological theory of life that leads naturally to complex processes such as reproductive cellular systems, evolution and differentiation? The presentation has been deliberately kept fairly non-technical so as to address a broad spectrum of students and researchers from the natural sciences and informatics.

  16. [From the mechanical complexity in biology].

    Science.gov (United States)

    Uribe, Libia Herrero

    2008-03-01

    From the mechanical complexity in biology. Through history, each century has brought new discoveries and beliefs that have resulted in different perspectives to study life organisms. In this essay, 1 define three periods: in the first, organisms were studied in the context of their environment, in the second, on the basis of physical and chemical laws, and on the third, systemically. My analysis starts with primitive humans, continues to Aristoteles and Newton, Lamarck and Darwin, the DNA doble helix discovery, and the beginnings of reduccionism in science. I propose that life is paradigmatical, that it obeys physical and chemical laws but cannot be explained by them I review the systemic theory, autopoiesis, discipative structures and non- linear dynamics. 1 propose that the deterministic, lineal and quantitative paradigm of nature are not the only way to study nature and invite the reader to explore the complexity paradigm.

  17. Free cupric ions in contaminated agricultural soils around a copper mine in eastern Nanjing City, China

    Institute of Scientific and Technical Information of China (English)

    LUO Xiao-san; ZHOU Dong-mei; WANG Yu-jun

    2006-01-01

    To determine the environmental free metal ion activity was a recent hot issue. A method to measure low-level free cupric ion activity in soil solution extracted with 0.01 mol/L KNO3 was developed by using cupric ion-selective electrode (ISE) and calibrating with Cu-buffer solution. Three copper buffers including iminodiacetic acid (IDA), ethylenediamine (EN), and glycine (Gly)were compared for calibrating the Cu-ISE curves in the range of free cupric ions (pCu2+) 7-13. The Cu-EN buffer showed the best electrode response and thus was applied as the calibration buffer. The pCu2+ of 39 contaminated agricultural soils around a copper mine was measured, ranging from 5.03 to 9.20. Most Cu in the soil solutions was found to be complexed with dissolved soil organic matters, averaging 98.1%. The proportion of free Cu2+ ions in the soil solutions decreased with the increasing of solution pH. Soluble Cu and free Cu2+ ions concentrations were analyzed by multiple linear regressions to evaluate the effects of soil properties on metal levels and speciation. The results showed that soil solution pH was the most significant factor influencing pCu2+ (with R2 value of 0.76), while not important for the soluble Cu concentration.

  18. Integrative Systems Biology: Elucidating Complex Traits

    DEFF Research Database (Denmark)

    Pers, Tune Hannes

    product itself. My doctoral studies have been focused on the development of integrative approaches to identify systemic risk-modifying and disease-causing patterns. ey have been rooted in the hypothesis that data integration of complementary data sets may yield additional etiologic insights compared...... traits and disease. e esis is structured as follows. Chapter  presents a few introductory remarks to integrative systems biology, and Chapter  gives a brief description of human genetic variation and GWA analysis. Chapters - present the main topics in the esis (integrative methodologies...... to analyses conducted within a single type of data. e first line of research presented here outlines two integrative methodologies designed to identify etiological pathways and susceptibility genes. In Paper I, my coworkers and I present an integrative approach that interrogates protein complexes...

  19. Conceptual Foundations of Systems Biology Explaining Complex Cardiac Diseases

    Directory of Open Access Journals (Sweden)

    George E. Louridas

    2017-02-01

    Full Text Available Systems biology is an important concept that connects molecular biology and genomics with computing science, mathematics and engineering. An endeavor is made in this paper to associate basic conceptual ideas of systems biology with clinical medicine. Complex cardiac diseases are clinical phenotypes generated by integration of genetic, molecular and environmental factors. Basic concepts of systems biology like network construction, modular thinking, biological constraints (downward biological direction and emergence (upward biological direction could be applied to clinical medicine. Especially, in the field of cardiology, these concepts can be used to explain complex clinical cardiac phenotypes like chronic heart failure and coronary artery disease. Cardiac diseases are biological complex entities which like other biological phenomena can be explained by a systems biology approach. The above powerful biological tools of systems biology can explain robustness growth and stability during disease process from modulation to phenotype. The purpose of the present review paper is to implement systems biology strategy and incorporate some conceptual issues raised by this approach into the clinical field of complex cardiac diseases. Cardiac disease process and progression can be addressed by the holistic realistic approach of systems biology in order to define in better terms earlier diagnosis and more effective therapy.

  20. Conceptual Foundations of Systems Biology Explaining Complex Cardiac Diseases.

    Science.gov (United States)

    Louridas, George E; Lourida, Katerina G

    2017-02-21

    Systems biology is an important concept that connects molecular biology and genomics with computing science, mathematics and engineering. An endeavor is made in this paper to associate basic conceptual ideas of systems biology with clinical medicine. Complex cardiac diseases are clinical phenotypes generated by integration of genetic, molecular and environmental factors. Basic concepts of systems biology like network construction, modular thinking, biological constraints (downward biological direction) and emergence (upward biological direction) could be applied to clinical medicine. Especially, in the field of cardiology, these concepts can be used to explain complex clinical cardiac phenotypes like chronic heart failure and coronary artery disease. Cardiac diseases are biological complex entities which like other biological phenomena can be explained by a systems biology approach. The above powerful biological tools of systems biology can explain robustness growth and stability during disease process from modulation to phenotype. The purpose of the present review paper is to implement systems biology strategy and incorporate some conceptual issues raised by this approach into the clinical field of complex cardiac diseases. Cardiac disease process and progression can be addressed by the holistic realistic approach of systems biology in order to define in better terms earlier diagnosis and more effective therapy.

  1. In-vacuum scattered light reduction with cupric oxide surfaces for sensitive fluorescence detection

    CERN Document Server

    Norrgard, Eric B; Barry, John F; McCarron, Daniel J; Steinecker, Matthew H; DeMille, David

    2016-01-01

    We demonstrate a simple and easy method for producing low-reflectivity surfaces that are ultra-high vacuum compatible, may be baked to high temperatures, and are easily applied even on complex surface geometries. Black cupric oxide (CuO) surfaces are chemically grown in minutes on any copper surface, allowing for low-cost, rapid prototyping and production. The reflective properties are measured to be comparable to commercially available products for creating optically black surfaces. We describe a vacuum apparatus which uses multiple blackened copper surfaces for sensitive, low-background detection of molecules using laser-induced fluorescence.

  2. Network biology concepts in complex disease comorbidities

    DEFF Research Database (Denmark)

    Hu, Jessica Xin; Thomas, Cecilia Engel; Brunak, Søren

    2016-01-01

    The co-occurrence of diseases can inform the underlying network biology of shared and multifunctional genes and pathways. In addition, comorbidities help to elucidate the effects of external exposures, such as diet, lifestyle and patient care. With worldwide health transaction data now often being...

  3. Complexity, Analysis and Control of Singular Biological Systems

    CERN Document Server

    Zhang, Qingling; Zhang, Xue

    2012-01-01

    Complexity, Analysis and Control of Singular Biological Systems follows the control of real-world biological systems at both ecological and phyisological levels concentrating on the application of now-extensively-investigated singular system theory. Much effort has recently been dedicated to the modelling and analysis of developing bioeconomic systems and the text establishes singular examples of these, showing how proper control can help to maintain sustainable economic development of biological resources. The book begins from the essentials of singular systems theory and bifurcations before tackling  the use of various forms of control in singular biological systems using examples including predator-prey relationships and viral vaccination and quarantine control. Researchers and graduate students studying the control of complex biological systems are shown how a variety of methods can be brought to bear and practitioners working with the economics of biological systems and their control will also find the ...

  4. Handling Biological Complexity Using Kron Reduction

    NARCIS (Netherlands)

    Jayawardhana, Bayu; Rao, Shodhan; Sikkema, Ward; Bakker, Barbara; Camlibel, Kanat; Julius, Agung; Pasumarthy, Ramkrishna; Scherpen, Jacquelien

    2015-01-01

    We revisit a model reduction method for detailed-balanced chemical reaction networks based on Kron reduction on the graph of complexes. The resulting reduced model preserves a number of important properties of the original model, such as, the kinetics law and identity of the chemical species. For de

  5. Synthesis and properties of polymer and its cupric complex containing bithiazole rings%联噻唑聚合物及其铜的配合物的合成与性能研究

    Institute of Scientific and Technical Information of China (English)

    王银柱; 熊国宣; 雷亮

    2012-01-01

    合成了一种联噻唑聚合物SPD及其Cu2+配合物。探索了温度和反应时间对SPD产率的影响。利用红外、元素分析、X射线能谱仪对其结构进行了表征。研究显示,在100℃温度下反应6h,产率达最大,为79.5%。热重分析表明聚合物具有较好的热稳定性。常温下测定SPD和SPD-Cu2+的电导率和磁滞回线,结果表明SPD配位Cu2+后电导率下降。SPD是一种反铁磁体;SPD-Cu2+是一种软铁磁体,矫顽力为5.25kA/m,剩余磁场强度为0.00105A·m2/kg,饱和磁化强度为0.029A·m2/kg。%The polymer (SPD) and its complex of Cu2+ were prepared and the effects of the temperature and time of reaction on the yield were investigated. Their structures were characterized via IR, elemental analysis and EDS. The study indicated: discovered on the temperature of 100℃ and reaction 6h later the maximum yield of SPD was 79.5%. The thermogravimetric analysis suggested that the polymer had good thermal stability. The electrical conductivity and hysteresis loop of the polymer and its complex were measured at room temperature. The test result demonstrate: the conductivity of complex was declined when coordinated with Cu2+; SPD was an antiferromagnet while SPD-Cu2+ was a soft ferromagnet, in which the observed coercive field (Hc) was 5.25kA/m, the remnant magnetization (Mr) was 0. 00105A·m2/kg and the saturation magnetization (Mc) 0. 029A · m2/kg.

  6. Mössbauer study of some biological iron complexes

    Indian Academy of Sciences (India)

    Sikander Ali; Alimuddin; V R Reddy

    2005-12-01

    Some biological complexes containing iron are investigated experimentally at room temperature using the Mössbauer resonance. The complexes show quadrupole doublet and Kramer's degeneracy is found to exist. The electric field gradient, difference in -electron densities and quadrupole coupling constant have been calculated in each case. These parameters are used to obtain information on the surroundings of the Mössbauer atom.

  7. Methods of information theory and algorithmic complexity for network biology.

    Science.gov (United States)

    Zenil, Hector; Kiani, Narsis A; Tegnér, Jesper

    2016-03-01

    We survey and introduce concepts and tools located at the intersection of information theory and network biology. We show that Shannon's information entropy, compressibility and algorithmic complexity quantify different local and global aspects of synthetic and biological data. We show examples such as the emergence of giant components in Erdös-Rényi random graphs, and the recovery of topological properties from numerical kinetic properties simulating gene expression data. We provide exact theoretical calculations, numerical approximations and error estimations of entropy, algorithmic probability and Kolmogorov complexity for different types of graphs, characterizing their variant and invariant properties. We introduce formal definitions of complexity for both labeled and unlabeled graphs and prove that the Kolmogorov complexity of a labeled graph is a good approximation of its unlabeled Kolmogorov complexity and thus a robust definition of graph complexity.

  8. Complex fluids in biological systems experiment, theory, and computation

    CERN Document Server

    2015-01-01

    This book serves as an introduction to the continuum mechanics and mathematical modeling of complex fluids in living systems. The form and function of living systems are intimately tied to the nature of surrounding fluid environments, which commonly exhibit nonlinear and history dependent responses to forces and displacements. With ever-increasing capabilities in the visualization and manipulation of biological systems, research on the fundamental phenomena, models, measurements, and analysis of complex fluids has taken a number of exciting directions. In this book, many of the world’s foremost experts explore key topics such as: Macro- and micro-rheological techniques for measuring the material properties of complex biofluids and the subtleties of data interpretation Experimental observations and rheology of complex biological materials, including mucus, cell membranes, the cytoskeleton, and blood The motility of microorganisms in complex fluids and the dynamics of active suspensions Challenges and solut...

  9. Ecological Complexity and the Success of Fungal Biological Control Agents

    Directory of Open Access Journals (Sweden)

    Guy R. Knudsen

    2014-01-01

    Full Text Available Fungal biological control agents against plant pathogens, especially those in soil, operate within physically, biologically, and spatially complex systems by means of a variety of trophic and nontrophic interspecific interactions. However, the biocontrol agents themselves are also subject to the same types of interactions, which may reduce or in some cases enhance their efficacy against target plant pathogens. Characterization of these ecologically complex systems is challenging, but a number of tools are available to help unravel this complexity. Several of these tools are described here, including the use of molecular biology to generate biocontrol agents with useful marker genes and then to quantify these agents in natural systems, epifluorescence and confocal laser scanning microscopy to observe their presence and activity in situ, and spatial statistics and computer simulation modeling to evaluate and predict these activities in heterogeneous soil habitats.

  10. Stimulated low frequency Raman scattering in cupric oxide nanoparticles water suspension

    Science.gov (United States)

    Averyushkin, A. S.; Baranov, A. N.; Bulychev, N. A.; Kazaryan, M. A.; Kudryavtseva, A. D.; Strokov, M. A.; Tcherniega, N. V.; Zemskov, K. I.

    2017-04-01

    Cupric oxide nanoparticles with average size of 213.2 nm, were synthesized in acoustoplasma discharge for investigating their vibrational properties. The low-frequency acoustic mode in cupric oxide (CuO) nanoparticles has been studied by stimulated low-frequency Raman scattering (SLFRS). SLFRS conversion efficiency, threshold and frequency shift of the scattered light are measured.

  11. Temperature Dependence of Biological Tissues Complex Permitivity at Microwave Frequencies

    Directory of Open Access Journals (Sweden)

    Dagmar Faktorova

    2008-01-01

    Full Text Available In the paper an universal overview of polarizing mechanisms with an emphasis on dipolar materials as the investigated tissues are regarded. Experimental apparatus is presented with giving its specificity as well as the method used at calculation of complex permittivity. The experimental part is aimed at temperature dependence of complex permittivity measurement of pig biological tissues with different properties. Experimental results are presented graphically with the commentary for courses of particular tissues.

  12. Temperature Dependence of Biological Tissues Complex Permitivity at Microwave Frequencies

    OpenAIRE

    Dagmar Faktorova

    2008-01-01

    In the paper an universal overview of polarizing mechanisms with an emphasis on dipolar materials as the investigated tissues are regarded. Experimental apparatus is presented with giving its specificity as well as the method used at calculation of complex permittivity. The experimental part is aimed at temperature dependence of complex permittivity measurement of pig biological tissues with different properties. Experimental results are presented graphically with the commentary for courses o...

  13. Hydrolysis of cupric chloride in aqueous ammoniacal ammonium chloride solutions

    Directory of Open Access Journals (Sweden)

    Limpo, J. L.

    1995-06-01

    Full Text Available Cupric solubility in the CuCl2-NH4Cl-NH3-H2O system for chloride concentrations lower than 4 molal in the temperature range 25-60 °C was studied. The experimental results show that for chloride concentration between 3.0 and 1.0 molal the cupric solubility is determined by the solubility of the cupric hydroxychloride Cu(OH1.5Cl0.5. For a chloride concentration value of 4.0 molal, there are two cupric compounds, the hydroxychloride Cu(OH1.5Cl0.5 or the diammine chloride Cu(NH32Cl2, on which the solubility of Cu(II depends, according to the temperature and the value of the ratio [NH3]Total/[Cu]Total.

    Se estudia la solubilidad del Cu(II en el sistema CuCl2-NH4Cl-NH3-H2O para concentraciones de cloruro inferiores a 4 molal en el intervalo de temperaturas 25-60 °C. Los resultados experimentales muestran que, para concentraciones de cloruros comprendidas entre 3,0 y 1,0 molal, la solubilidad cúprica viene determinada por la solubilidad del hidroxicloruro cúprico, Cu(OH1.5Cl0.5. Para concentraciones de cloruro 4,0 molal, existen dos compuestos cúpricos, el hidroxicloruro, Cu(OH1.5Cl0.5 o el cloruro de diamina, Cu(NH32Cl2, de los que, de acuerdo con la temperatura y con el valor de la relación [NH3]Total/[Cu]Total depende la solubilidad del Cu(II.

  14. A facile approach for cupric ion detection in aqueous media using polyethyleneimine/PMMA core-shell fluorescent nanoparticles

    Science.gov (United States)

    Chen, Jian; Zeng, Fang; Wu, Shuizhu; Su, Junhua; Zhao, Jianqing; Tong, Zhen

    2009-09-01

    A facile approach was developed to produce a dye-doped core-shell nanoparticle chemosensor for detecting Cu2+ in aqueous media. The core-shell nanoparticle sensor was prepared by a one-step emulsifier-free polymerization, followed by the doping of the fluorescent dye Nile red (9-diethylamino- 5H-benzo[alpha] phenoxazine-5-one, NR) into the particles. For the nanoparticles, the hydrophilic polyethyleneimine (PEI) chain segments serve as the shell and the hydrophobic polymethyl methacrylate (PMMA) constitutes the core of the nanoparticles. The non-toxic and biocompatible PEI chain segments on the nanoparticle surface exhibit a high affinity for Cu2+ ions in aqueous media, and the quenching of the NR fluorescence is observed upon binding of Cu2+ ions. This makes the core-shell nanoparticle system a water-dispersible chemosensor for Cu2+ ion detection. The quenching of fluorescence arises through intraparticle energy transfer (FRET) from the dye in the hydrophobic PMMA core to the Cu2+/PEI complexes on the nanoparticle surface. The energy transfer efficiency for PEI/PMMA particles with different diameters was determined, and it is found that the smaller nanoparticle sample exhibits higher quenching efficiency, and the limit for Cu2+ detection is 1 µM for a nanoparticle sample with a diameter of ~30 nm. The response of the fluorescent nanoparticle towards different metal ions was investigated and the nanoparticle chemosensor displays high selectivity and antidisturbance for the Cu2+ ion among the metal ions examined (Na+, K+, Mg2+, Ca2+, Zn2+, Hg2+, Mn2+, Fe2+, Ni2+, Co2+ and Pb2+). This emulsifier-free, biocompatible and sensitive fluorescent nanoparticle sensor may find applications in cupric ion detection in the biological and environmental areas.

  15. Complexity and the reductionism-holism debate in systems biology.

    Science.gov (United States)

    Mazzocchi, Fulvio

    2012-01-01

    Reductionism has largely influenced the development of science, culminating in its application to molecular biology. An increasing number of novel research findings have, however, shattered this view, showing how the molecular-reductionist approach cannot entirely handle the complexity of biological systems. Within this framework, the advent of systems biology as a new and more integrative field of research is described, along with the form which has taken on the debate of reductionism versus holism. Such an issue occupies a central position in systems biology, and nonetheless it is not always clearly delineated. This partly occurs because different dimensions (ontological, epistemological, methodological) are involved, and yet the concerned ones often remain unspecified. Besides, within systems biology different streams can be distinguished depending on the degree of commitment to embrace genuine systemic principles. Some useful insights into the future development of this discipline might be gained from the tradition of complexity and self-organization. This is especially true with regards the idea of self-reference, which incorporated into the organizational scheme is able to generate autonomy as an emergent property of the biological whole.

  16. Mechanistic modeling confronts the complexity of molecular cell biology.

    Science.gov (United States)

    Phair, Robert D

    2014-11-05

    Mechanistic modeling has the potential to transform how cell biologists contend with the inescapable complexity of modern biology. I am a physiologist-electrical engineer-systems biologist who has been working at the level of cell biology for the past 24 years. This perspective aims 1) to convey why we build models, 2) to enumerate the major approaches to modeling and their philosophical differences, 3) to address some recurrent concerns raised by experimentalists, and then 4) to imagine a future in which teams of experimentalists and modelers build-and subject to exhaustive experimental tests-models covering the entire spectrum from molecular cell biology to human pathophysiology. There is, in my view, no technical obstacle to this future, but it will require some plasticity in the biological research mind-set.

  17. Gold complexes with benzimidazole derivatives: synthesis, characterization and biological studies.

    Science.gov (United States)

    Mota, Vinicius Zamprogno; de Carvalho, Gustavo Senra Gonçalves; da Silva, Adilson David; Costa, Luiz Antônio Sodré; de Almeida Machado, Patrícia; Coimbra, Elaine Soares; Ferreira, Carmen Veríssima; Shishido, Silvia Mika; Cuin, Alexandre

    2014-02-01

    Synthesis, characterization, DFT studies and biological assays of new gold(I) and gold(III) complexes of benzimidazole are reported. Molecular and structural characterizations of the compounds were based on elemental (C, H and N) and thermal (TG-DTA) analyses, and FT-IR and UV-Visible spectroscopic measurements. The structures of complexes were proposed based DFT calculations. The benzimidazole compounds (Lig1 and Lig2) and the gold complexes were tested against three Leishmania species related to cutaneous manifestations of leishmaniasis. The free benzimidazole compounds showed no leishmanicidal activity. On the other hand, the gold(I and III) complexes have shown to possess significant activity against Leishmania in both stages of parasite, and the gold(III) complex with Lig2 exhibited expressive leishmanicidal activity with IC50 values below 5.7 μM. Also, the gold complexes showed high leishmania selectivity. The gold(I) complex with Lig1, for example, is almost 50 times more toxic for the parasite than for macrophages. Besides the leishmanicidal activity, all complexes exhibited toxic effect against SK-Mel 103 and Balb/c 3T3, cancer cells.

  18. Finding optimal interaction interface alignments between biological complexes

    KAUST Repository

    Cui, Xuefeng

    2015-06-13

    Motivation: Biological molecules perform their functions through interactions with other molecules. Structure alignment of interaction interfaces between biological complexes is an indispensable step in detecting their structural similarities, which are keys to understanding their evolutionary histories and functions. Although various structure alignment methods have been developed to successfully access the similarities of protein structures or certain types of interaction interfaces, existing alignment tools cannot directly align arbitrary types of interfaces formed by protein, DNA or RNA molecules. Specifically, they require a \\'blackbox preprocessing\\' to standardize interface types and chain identifiers. Yet their performance is limited and sometimes unsatisfactory. Results: Here we introduce a novel method, PROSTA-inter, that automatically determines and aligns interaction interfaces between two arbitrary types of complex structures. Our method uses sequentially remote fragments to search for the optimal superimposition. The optimal residue matching problem is then formulated as a maximum weighted bipartite matching problem to detect the optimal sequence order-independent alignment. Benchmark evaluation on all non-redundant protein-DNA complexes in PDB shows significant performance improvement of our method over TM-align and iAlign (with the \\'blackbox preprocessing\\'). Two case studies where our method discovers, for the first time, structural similarities between two pairs of functionally related protein-DNA complexes are presented. We further demonstrate the power of our method on detecting structural similarities between a protein-protein complex and a protein-RNA complex, which is biologically known as a protein-RNA mimicry case. © The Author 2015. Published by Oxford University Press.

  19. From globally coupled maps to complex-systems biology

    Energy Technology Data Exchange (ETDEWEB)

    Kaneko, Kunihiko, E-mail: kaneko@complex.c.u-tokyo.ac.jp [Research Center for Complex Systems Biology, Graduate School of Arts and Sciences, The University of Tokyo 3-8-1 Komaba, Meguro-ku, Tokyo 153-8902 (Japan)

    2015-09-15

    Studies of globally coupled maps, introduced as a network of chaotic dynamics, are briefly reviewed with an emphasis on novel concepts therein, which are universal in high-dimensional dynamical systems. They include clustering of synchronized oscillations, hierarchical clustering, chimera of synchronization and desynchronization, partition complexity, prevalence of Milnor attractors, chaotic itinerancy, and collective chaos. The degrees of freedom necessary for high dimensionality are proposed to equal the number in which the combinatorial exceeds the exponential. Future analysis of high-dimensional dynamical systems with regard to complex-systems biology is briefly discussed.

  20. Cupric ion reducing antioxidant capacity assay for food antioxidants: vitamins, polyphenolics, and flavonoids in food extracts.

    Science.gov (United States)

    Apak, Reşat; Güçlü, Kubilay; Ozyürek, Mustafa; Bektas Oğlu, Burcu; Bener, Mustafa

    2008-01-01

    Antioxidants are health beneficial compounds through their combat with reactive oxygen and nitrogen species and free radicals that may cause tissue damage leading to various diseases. This work reports the development of a simple and widely applicable antioxidant capacity index for dietary polyphenols, vitamins C and E, and plasma antioxidants utilizing the copper(II)-neocuproine (Cu(II)-Nc) reagent as the chromogenic oxidizing agent. This novel method based on an electron-transfer mechanism was named by our research group as 'cupric reducing antioxidant capacity', abbreviated as the CUPRAC method. The method is comprised of mixing the antioxidant solution with aqueous copper(II) chloride, alcoholic neocuproine, and ammonium acetate aqueous buffer at pH 7, and subsequently measuring the developed absorbance at 450 nm after 30 min. Since the color development is fast for compounds like ascorbic acid, gallic acid, and quercetin but slow for naringin and naringenin, the latter compounds are assayed after incubation at 50 degrees C on a water bath for 20 min. The flavonoid glycosides are hydrolyzed to their corresponding aglycones by refluxing in 1.2 M: HCl-containing 50% MeOH so as to exert maximal reducing power towards Cu(II)-Nc. The CUPRAC antioxidant capacities of synthetic mixtures are equal to the sum of individual capacities of antioxidant constituents, indicating lack of chemical deviations from Beer's law. Tests on antioxidant polyphenols demonstrate that the highest CUPRAC capacities are observed for epicatechin gallate, epigallocatechin gallate, quercetin, fisetin, epigallocatechin, catechin, and caffeic acid in this order, in accord with the number and position of the -OH groups as well the conjugation level of the molecule. The parallelism of the linear calibration curves of pure antioxidants in water and in a given complex matrix (plant extract) demonstrates that there are no chemical interactions of interferent nature among the solution constituents

  1. Cupric Hexacyanoferrate Nanoparticle Modified Carbon Ceramic Composite Electrodes

    Institute of Scientific and Technical Information of China (English)

    WANG,Peng(王鹏); ZHU,Guo-Yi(朱果逸)

    2002-01-01

    Graphite powder-supported cupric hexacyanoferrate (CuHCF)nanoparticles were dispersed into methyltrimethoxysilane-based gels to produce a conducting carbon ceramic composite, which was used as electrode material to fabricate surface-renewable CuHCF-modified electrodes. Electrochemical behavior of the CuHCF-modified carbon ceramic composite electrodes was characterized using cyclic and square-wave voitammetry.Cyclic voltammograms at various scan rates indicated that peak currents were surface-confined at low scan rates. In the presence of glutathione, a clear electrocatalytic response was observed at the CuHCF-modified composite electrodes. In addition, the electrodes exhibited a distinct advantage of reproducible surface-renewal by simple mechanical polishing on emery paper, as well as ease of preparation, and good chemical and mechanical stability in a flowing stream.

  2. Cupric Hexacyanoferrate Nanoparticle Modified Carbon Ceramic Composite Electrodes

    Institute of Scientific and Technical Information of China (English)

    WANG,Peng; ZHU,Guo-Yi

    2002-01-01

    Graphite powder-supported cupric hexacyanoferrate(CuHCF) nanoparticles were dispersed into methyltrimethoxysilane-based gels to produce a conducting carbon ceramic composite,which was used as electrode materials to fabricate surface-renewable CuHCF-modified electrodes.Electrochemical behavior of the CuHCF-modified carbon ceramic composite electrodes was characterized using cyclic and square-wave voltammetry. Cyclinc voltammograms at various scan rates indicated that peak currents were suface-confined at low scan rates.In the presence of glutathione,a clear electrocatalytic response was observed at the CuHCF-modified composite electrodes.In addition,the electrodes exhibited a distinct advantage of reproducible surface-renewal by simple mechanical polishing on emery paper,as well as ease of preparation,and good chemical and mechanical stability in a flowing stream.

  3. Kirigami artificial muscles with complex biologically inspired morphologies

    Science.gov (United States)

    Sareh, Sina; Rossiter, Jonathan

    2013-01-01

    In this paper we present bio-inspired smart structures which exploit the actuation of flexible ionic polymer composites and the kirigami design principle. Kirigami design is used to convert planar actuators into active 3D structures capable of large out-of-plane displacement and that replicate biological mechanisms. Here we present the burstbot, a fluid control and propulsion mechanism based on the atrioventricular cuspid valve, and the vortibot, a spiral actuator based on Vorticella campanula, a ciliate protozoa. Models derived from biological counterparts are used as a platform for design optimization and actuator performance measurement. The symmetric and asymmetric fluid interactions of the burstbot are investigated and the effectiveness in fluid transport applications is demonstrated. The vortibot actuator is geometrically optimized as a camera positioner capable of 360° scanning. Experimental results for a one-turn spiral actuator show complex actuation derived from a single degree of freedom control signal.

  4. Ultra-high performance supercritical fluid chromatography of lignin-derived phenols from alkaline cupric oxide oxidation.

    Science.gov (United States)

    Sun, Mingzhe; Lidén, Gunnar; Sandahl, Margareta; Turner, Charlotta

    2016-08-01

    Traditional chromatographic methods for the analysis of lignin-derived phenolic compounds in environmental samples are generally time consuming. In this work, an ultra-high performance supercritical fluid chromatography method with a diode array detector for the analysis of major lignin-derived phenolic compounds produced by alkaline cupric oxide oxidation was developed. In an analysis of a collection of 11 representative monomeric lignin phenolic compounds, all compounds were clearly separated within 6 min with excellent peak shapes, with a limit of detection of 0.5-2.5 μM, a limit of quantification of 2.5-5.0 μM, and a dynamic range of 5.0-2.0 mM (R(2) > 0.997). The new ultra-high performance supercritical fluid chromatography method was also applied for the qualitative and quantitative analysis of lignin-derived phenolic compounds obtained upon alkaline cupric oxide oxidation of a commercial humic acid. Ten out of the previous eleven model compounds could be quantified in the oxidized humic acid sample. The high separation power and short analysis time obtained demonstrate for the first time that supercritical fluid chromatography is a fast and reliable technique for the analysis of lignin-derived phenols in complex environmental samples.

  5. Chapter 5: Network biology approach to complex diseases.

    Directory of Open Access Journals (Sweden)

    Dong-Yeon Cho

    Full Text Available Complex diseases are caused by a combination of genetic and environmental factors. Uncovering the molecular pathways through which genetic factors affect a phenotype is always difficult, but in the case of complex diseases this is further complicated since genetic factors in affected individuals might be different. In recent years, systems biology approaches and, more specifically, network based approaches emerged as powerful tools for studying complex diseases. These approaches are often built on the knowledge of physical or functional interactions between molecules which are usually represented as an interaction network. An interaction network not only reports the binary relationships between individual nodes but also encodes hidden higher level organization of cellular communication. Computational biologists were challenged with the task of uncovering this organization and utilizing it for the understanding of disease complexity, which prompted rich and diverse algorithmic approaches to be proposed. We start this chapter with a description of the general characteristics of complex diseases followed by a brief introduction to physical and functional networks. Next we will show how these networks are used to leverage genotype, gene expression, and other types of data to identify dysregulated pathways, infer the relationships between genotype and phenotype, and explain disease heterogeneity. We group the methods by common underlying principles and first provide a high level description of the principles followed by more specific examples. We hope that this chapter will give readers an appreciation for the wealth of algorithmic techniques that have been developed for the purpose of studying complex diseases as well as insight into their strengths and limitations.

  6. Biological Computation as the Revolution of Complex Engineered Systems

    CERN Document Server

    Gómez-Cruz, Nelson Alfonso

    2011-01-01

    Provided that there is no theoretical frame for complex engineered systems (CES) as yet, this paper claims that bio-inspired engineering can help provide such a frame. Within CES bio-inspired systems play a key role. The disclosure from bio-inspired systems and biological computation has not been sufficiently worked out, however. Biological computation is to be taken as the processing of information by living systems that is carried out in polynomial time, i.e., efficiently; such processing however is grasped by current science and research as an intractable problem (for instance, the protein folding problem). A remark is needed here: P versus NP problems should be well defined and delimited but biological computation problems are not. The shift from conventional engineering to bio-inspired engineering needs bring the subject (or problem) of computability to a new level. Within the frame of computation, so far, the prevailing paradigm is still the Turing-Church thesis. In other words, conventional engineering...

  7. Discovering large network motifs from a complex biological network

    Energy Technology Data Exchange (ETDEWEB)

    Terada, Aika; Sese, Jun, E-mail: terada@sel.is.ocha.ac.j, E-mail: sesejun@is.ocha.ac.j [Department of Computer Science, Ochanomizu University, 2-1-1 Ohtsuka, Bunkyo-ku, Tokyo 112-8610 (Japan)

    2009-12-01

    Graph structures representing relationships between entries have been studied in statistical analysis, and the results of these studies have been applied to biological networks, whose nodes and edges represent proteins and the relationships between them, respectively. Most of the studies have focused on only graph structures such as scale-free properties and cliques, but the relationships between nodes are also important features since most of the proteins perform their functions by connecting to other proteins. In order to determine such relationships, the problem of network motif discovery has been addressed; network motifs are frequently appearing graph structures in a given graph. However, the methods for network motif discovery are highly restrictive for the application to biological network because they can only be used to find small network motifs or they do not consider noise and uncertainty in observations. In this study, we introduce a new index to measure network motifs called AR index and develop a novel algorithm called ARIANA for finding large motifs even when the network has noise. Experiments using a synthetic network verify that our method can find better network motifs than an existing algorithm. By applying ARIANA to a real complex biological network, we find network motifs associated with regulations of start time of cell functions and generation of cell energies and discover that the cell cycle proteins can be categorized into two different groups.

  8. The Evolution of Biological Complexity in Digital Organisms

    Science.gov (United States)

    Ofria, Charles

    2013-03-01

    When Darwin first proposed his theory of evolution by natural selection, he realized that it had a problem explaining the origins of traits of ``extreme perfection and complication'' such as the vertebrate eye. Critics of Darwin's theory have latched onto this perceived flaw as a proof that Darwinian evolution is impossible. In anticipation of this issue, Darwin described the perfect data needed to understand this process, but lamented that such data are ``scarcely ever possible'' to obtain. In this talk, I will discuss research where we use populations of digital organisms (self-replicating and evolving computer programs) to elucidate the genetic and evolutionary processes by which new, highly-complex traits arise, drawing inspiration directly from Darwin's wistful thinking and hypotheses. During the process of evolution in these fully-transparent computational environments we can measure the incorporation of new information into the genome, a process akin to a natural Maxwell's Demon, and identify the original source of any such information. We show that, as Darwin predicted, much of the information used to encode a complex trait was already in the genome as part of simpler evolved traits, and that many routes must be possible for a new complex trait to have a high probability of successfully evolving. In even more extreme examples of the evolution of complexity, we are now using these same principles to examine the evolutionary dynamics the drive major transitions in evolution; that is transitions to higher-levels of organization, which are some of the most complex evolutionary events to occur in nature. Finally, I will explore some of the implications of this research to other aspects of evolutionary biology and as well as ways that these evolutionary principles can be applied toward solving computational and engineering problems.

  9. Sporothrix schenckii complex biology: environment and fungal pathogenicity.

    Science.gov (United States)

    Téllez, M D; Batista-Duharte, A; Portuondo, D; Quinello, C; Bonne-Hernández, R; Carlos, I Z

    2014-11-01

    Sporothrix schenckii is a complex of various species of fungus found in soils, plants, decaying vegetables and other outdoor environments. It is the aetiological agent of sporotrichosis in humans and several animals. Humans and animals can acquire the disease through traumatic inoculation of the fungus into subcutaneous tissue. Despite the importance of sporotrichosis, it being currently regarded as an emergent disease in several countries, the factors driving its increasing medical importance are still largely unknown. There have only been a few studies addressing the influence of the environment on the virulence of these pathogens. However, recent studies have demonstrated that adverse conditions in its natural habitats can trigger the expression of different virulence factors that confer survival advantages both in animal hosts and in the environment. In this review, we provide updates on the important advances in the understanding of the biology of Spor. schenckii and the modification of its virulence linked to demonstrated or putative environmental factors.

  10. Bridging Mechanistic and Phenomenological Models of Complex Biological Systems

    Science.gov (United States)

    Transtrum, Mark K.; Qiu, Peng

    2016-01-01

    The inherent complexity of biological systems gives rise to complicated mechanistic models with a large number of parameters. On the other hand, the collective behavior of these systems can often be characterized by a relatively small number of phenomenological parameters. We use the Manifold Boundary Approximation Method (MBAM) as a tool for deriving simple phenomenological models from complicated mechanistic models. The resulting models are not black boxes, but remain expressed in terms of the microscopic parameters. In this way, we explicitly connect the macroscopic and microscopic descriptions, characterize the equivalence class of distinct systems exhibiting the same range of collective behavior, and identify the combinations of components that function as tunable control knobs for the behavior. We demonstrate the procedure for adaptation behavior exhibited by the EGFR pathway. From a 48 parameter mechanistic model, the system can be effectively described by a single adaptation parameter τ characterizing the ratio of time scales for the initial response and recovery time of the system which can in turn be expressed as a combination of microscopic reaction rates, Michaelis-Menten constants, and biochemical concentrations. The situation is not unlike modeling in physics in which microscopically complex processes can often be renormalized into simple phenomenological models with only a few effective parameters. The proposed method additionally provides a mechanistic explanation for non-universal features of the behavior. PMID:27187545

  11. A complex biological system: the fly's visual module.

    Science.gov (United States)

    Baptista, Murilo S; de Almeida, Lirio O B; Slaets, Jan F W; Köberle, Roland; Grebogi, Celso

    2008-02-13

    Is the characterization of biological systems as complex systems in the mathematical sense a fruitful assertion? In this paper we argue in the affirmative, although obviously we do not attempt to confront all the issues raised by this question. We use the fly's visual system as an example and analyse our experimental results of one particular neuron in the fly's visual system from this point of view. We find that the motion-sensitive 'H1' neuron, which converts incoming signals into a sequence of identical pulses or 'spikes', encodes the information contained in the stimulus into an alphabet composed of a few letters. This encoding occurs on multilayered sets, one of the features attributed to complex systems. The conversion of intervals between consecutive occurrences of spikes into an alphabet requires us to construct a generating partition. This entails a one-to-one correspondence between sequences of spike intervals and words written in the alphabet. The alphabet dynamics is multifractal both with and without stimulus, though the multifractality increases with the stimulus entropy. This is in sharp contrast to models generating independent spike intervals, such as models using Poisson statistics, whose dynamics is monofractal. We embed the support of the probability measure, which describes the distribution of words written in this alphabet, in a two-dimensional space, whose topology can be reproduced by an M-shaped map. This map has positive Lyapunov exponents, indicating a chaotic-like encoding.

  12. Approach of Complex-Systems Biology to Reproduction and Evolution

    Science.gov (United States)

    Kaneko, Kunihiko

    Two basic issues in biology - the origin of life and evolution of phenotypes - are discussed on the basis of statistical physics and dynamical systems. In section "A Bridge Between Catalytic Reaction Networks and Reproducing Cells", we survey recent developments in the origin of reproducing cells from an ensemble of catalytic reactions. After surveying several models of catalytic reaction networks briefly, we provide possible answers to the following three questions: (1) How are nonequilibrium states sustained in catalytic reaction dynamics? (2) How is recursive production of a cell maintaining composition of a variety of chemicals possible? (3) How does a specific molecule species carry information for heredity? In section "Evolution", general relationships between plasticity, robustness, and evolvability are presented in terms of phenotypic fluctuations. First, proportionality between evolution speed, phenotypic plasticity, and isogenic phenotypic fluctuation is proposed by extending the fluctuation-response relationship in physics. We then derive a general proportionality relationship between the phenotypic fluctuations of epigenetic and genetic origin: the former is the variance of phenotype due to noise in the developmental process, and the latter due to genetic mutation. The relationship also suggests a link between robustness to noise and to mutation. These relationships are confirmed in models of gene expression dynamics, as well as in laboratory experiments, and then are explained by a theory based on an evolutionary stability hypothesis For both sections "A Bridge Between Catalytic Reaction Networks and Reproducing Cells" and "Evolution", consistency between two levels of hierarchy (i.e., molecular and cellular, or genetic and phenotypic levels) is stressed as a principle for complex-systems biology.

  13. Fluorescence study on the interaction between apoCopC and cupric

    Institute of Scientific and Technical Information of China (English)

    PANG Erguo; ZHAO Yaqin; YANG Binsheng

    2005-01-01

    The interaction between apoCopC and cupric was investigated by fluorescence spectra, in phosphate (20 mmol/L) buffer at pH 6.0. Results suggest that the environment is measured to be hydrophobic completely around tryptophan (83). At the same time, apoCopC fluorescence at 320 nm was significantly quenched with the addition of cupric and the 1:1 stoichiometric ratio of apoCopC to cupric was confirmed by fluorescence. In addition, the conditional binding constants were calculated to be Kcu-Copc = (1.8(0.58)× 1013 mol-1 L on the basis of the results of fluorescence titration curves. The apoCopC has the ability to bind specifically cupricion.

  14. From structure of the complex to understanding of the biology

    Energy Technology Data Exchange (ETDEWEB)

    Rossmann, Michael G., E-mail: mr@purdue.edu [Department of Biological Sciences, Purdue University, 915 West State Street, West Lafayette, IN 47907-2054 (United States); Arisaka, Fumio [Graduate School and School of Bioscience and Biotechnology, Tokyo Institute of Technology, 5249 Nagatsuta-cho, Yokohama 226-8501-B39 (Japan); Battisti, Anthony J.; Bowman, Valorie D.; Chipman, Paul R.; Fokine, Andrei; Hafenstein, Susan [Department of Biological Sciences, Purdue University, 915 West State Street, West Lafayette, IN 47907-2054 (United States); Kanamaru, Shuji [Department of Biological Sciences, Purdue University, 915 West State Street, West Lafayette, IN 47907-2054 (United States); Graduate School and School of Bioscience and Biotechnology, Tokyo Institute of Technology, 5249 Nagatsuta-cho, Yokohama 226-8501-B39 (Japan); Kostyuchenko, Victor A. [Department of Biological Sciences, Purdue University, 915 West State Street, West Lafayette, IN 47907-2054 (United States); Mesyanzhinov, Vadim V.; Shneider, Mikhail M. [Laboratory of Molecular Bioengineering, Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, 16/10 Miklukho-Maklaya Street, Moscow, 117997 (Russian Federation); Morais, Marc C.; Leiman, Petr G. [Department of Biological Sciences, Purdue University, 915 West State Street, West Lafayette, IN 47907-2054 (United States); Palermo, Laura M.; Parrish, Colin R. [James A. Baker Institute, College of Veterinary Medicine, Cornell University, Ithaca, NY 14853 (United States); Xiao, Chuan [Department of Biological Sciences, Purdue University, 915 West State Street, West Lafayette, IN 47907-2054 (United States)

    2007-01-01

    The most extensive structural information on viruses relates to apparently icosahedral virions and is based on X-ray crystallography and on cryo-electron microscopy single-particle reconstructions. This paper concerns itself with the study of the macromolecular complexes that constitute viruses, using structural hybrid techniques. The most extensive structural information on viruses relates to apparently icosahedral virions and is based on X-ray crystallography and on cryo-electron microscopy (cryo-EM) single-particle reconstructions. Both techniques lean heavily on imposing icosahedral symmetry, thereby obscuring any deviation from the assumed symmetry. However, tailed bacteriophages have icosahedral or prolate icosahedral heads that have one obvious unique vertex where the genome can enter for DNA packaging and exit when infecting a host cell. The presence of the tail allows cryo-EM reconstructions in which the special vertex is used to orient the head in a unique manner. Some very large dsDNA icosahedral viruses also develop special vertices thought to be required for infecting host cells. Similarly, preliminary cryo-EM data for the small ssDNA canine parvovirus complexed with receptor suggests that these viruses, previously considered to be accurately icosahedral, might have some asymmetric properties that generate one preferred receptor-binding site on the viral surface. Comparisons are made between rhinoviruses that bind receptor molecules uniformly to all 60 equivalent binding sites, canine parvovirus, which appears to have a preferred receptor-binding site, and bacteriophage T4, which gains major biological advantages on account of its unique vertex and tail organelle.

  15. The complex jujube genome provides insights into fruit tree biology.

    Science.gov (United States)

    Liu, Meng-Jun; Zhao, Jin; Cai, Qing-Le; Liu, Guo-Cheng; Wang, Jiu-Rui; Zhao, Zhi-Hui; Liu, Ping; Dai, Li; Yan, Guijun; Wang, Wen-Jiang; Li, Xian-Song; Chen, Yan; Sun, Yu-Dong; Liu, Zhi-Guo; Lin, Min-Juan; Xiao, Jing; Chen, Ying-Ying; Li, Xiao-Feng; Wu, Bin; Ma, Yong; Jian, Jian-Bo; Yang, Wei; Yuan, Zan; Sun, Xue-Chao; Wei, Yan-Li; Yu, Li-Li; Zhang, Chi; Liao, Sheng-Guang; He, Rong-Jun; Guang, Xuan-Min; Wang, Zhuo; Zhang, Yue-Yang; Luo, Long-Hai

    2014-10-28

    The jujube (Ziziphus jujuba Mill.), a member of family Rhamnaceae, is a major dry fruit and a traditional herbal medicine for more than one billion people. Here we present a high-quality sequence for the complex jujube genome, the first genome sequence of Rhamnaceae, using an integrated strategy. The final assembly spans 437.65 Mb (98.6% of the estimated) with 321.45 Mb anchored to the 12 pseudo-chromosomes and contains 32,808 genes. The jujube genome has undergone frequent inter-chromosome fusions and segmental duplications, but no recent whole-genome duplication. Further analyses of the jujube-specific genes and transcriptome data from 15 tissues reveal the molecular mechanisms underlying some specific properties of the jujube. Its high vitamin C content can be attributed to a unique high level expression of genes involved in both biosynthesis and regeneration. Our study provides insights into jujube-specific biology and valuable genomic resources for the improvement of Rhamnaceae plants and other fruit trees.

  16. A microfluidic dialysis device for complex biological mixture SERS analysis

    KAUST Repository

    Perozziello, Gerardo

    2015-08-01

    In this paper, we present a microfluidic device fabricated with a simple and inexpensive process allowing rapid filtering of peptides from a complex mixture. The polymer microfluidic device can be used for sample preparation in biological applications. The device is fabricated by micromilling and solvent assisted bonding, in which a microdialysis membrane (cut-off of 12-14 kDa) is sandwiched in between an upper and a bottom microfluidic chamber. An external frame connects the microfluidic device to external tubes, microvalves and syringe pumps. Bonding strength and interface sealing are pneumatically tested. Microfluidic protocols are also described by using the presented device to filter a sample composed of specific peptides (MW 1553.73 Da, at a concentration of 1.0 ng/μl) derived from the BRCA1 protein, a tumor-suppressor molecule which plays a pivotal role in the development of breast cancer, and albumin (MW 66.5 kDa, at a concentration of 35 μg/μl), the most represented protein in human plasma. The filtered samples coming out from the microfluidic device were subsequently deposited on a SERS (surface enhanced Raman scattering) substrate for further analysis by Raman spectroscopy. By using this approach, we were able to sort the small peptides from the bigger and highly concentrated protein albumin and to detect them by using a label-free technique at a resolution down to 1.0 ng/μl.

  17. Multimode lasers as analogs of complex biological systems (a survey)

    Science.gov (United States)

    Danilov, O. B.; Rosanov, N. N.; Solov'ev, N. A.; Soms, L. N.

    2016-04-01

    Simulating the activity of complex biological systems, in particular, the human brain, is a topical problem the solution of which is necessary both for understanding their functioning and for developing new classes of computational system based on operating principles of the brain. Some features and analogies that can be found in the operation of laser systems and brain and used for developing new generation computational systems are discussed. The appropriateness of such analogies is justified by the fact that both laser systems and the brain are open (interacting with the environment) dissipative spatially distributed nonlinear systems. Therefore, laser optical systems and, in particular, systems with dissipative optical solitons offer an opportunity to experimentally and theoretically model some important cognitive brain functions. One of particularities of the brain operation is the ability to manipulate images. Proceeding from this, in this work, problems related to generation and amplification with laser of spatial structures (images), as well as to amplification of signals coming to it from outside are discussed.

  18. PREFACE: Complex Networks: from Biology to Information Technology

    Science.gov (United States)

    Barrat, A.; Boccaletti, S.; Caldarelli, G.; Chessa, A.; Latora, V.; Motter, A. E.

    2008-06-01

    The field of complex networks is one of the most active areas in contemporary statistical physics. Ten years after seminal work initiated the modern study of networks, interest in the field is in fact still growing, as indicated by the ever increasing number of publications in network science. The reason for such a resounding success is most likely the simplicity and broad significance of the approach that, through graph theory, allows researchers to address a variety of different complex systems within a common framework. This special issue comprises a selection of contributions presented at the workshop 'Complex Networks: from Biology to Information Technology' held in July 2007 in Pula (Cagliari), Italy as a satellite of the general conference STATPHYS23. The contributions cover a wide range of problems that are currently among the most important questions in the area of complex networks and that are likely to stimulate future research. The issue is organised into four sections. The first two sections describe 'methods' to study the structure and the dynamics of complex networks, respectively. After this methodological part, the issue proceeds with a section on applications to biological systems. The issue closes with a section concentrating on applications to the study of social and technological networks. The first section, entitled Methods: The Structure, consists of six contributions focused on the characterisation and analysis of structural properties of complex networks: The paper Motif-based communities in complex networks by Arenas et al is a study of the occurrence of characteristic small subgraphs in complex networks. These subgraphs, known as motifs, are used to define general classes of nodes and their communities by extending the mathematical expression of the Newman-Girvan modularity. The same line of research, aimed at characterising network structure through the analysis of particular subgraphs, is explored by Bianconi and Gulbahce in Algorithm

  19. Waters of Hydration of Cupric Hydrates: A Comparison between Heating and Absorbance Methods

    Science.gov (United States)

    Barlag, Rebecca; Nyasulu, Frazier

    2011-01-01

    The empirical formulas of four cupric hydrates are determined by measuring the absorbance in aqueous solution. The Beer-Lambert Law is verified by constructing a calibration curve of absorbance versus known Cu[superscript 2+](aq) concentration. A solution of the unknown hydrate is prepared by using 0.2-0.3 g of hydrate, and water is added such…

  20. Network Analyses in Systems Biology: New Strategies for Dealing with Biological Complexity

    DEFF Research Database (Denmark)

    Green, Sara; Serban, Maria; Scholl, Raphael;

    2017-01-01

    The increasing application of network models to interpret biological systems raises a number of important methodological and epistemological questions. What novel insights can network analysis provide in biology? Are network approaches an extension of or in conflict with mechanistic research...

  1. Study of the structure and dynamics of complex biological networks

    Science.gov (United States)

    Samal, Areejit

    2008-12-01

    In this thesis, we have studied the large scale structure and system level dynamics of certain biological networks using tools from graph theory, computational biology and dynamical systems. We study the structure and dynamics of large scale metabolic networks inside three organisms, Escherichia coli, Saccharomyces cerevisiae and Staphylococcus aureus. We also study the dynamics of the large scale genetic network controlling E. coli metabolism. We have tried to explain the observed system level dynamical properties of these networks in terms of their underlying structure. Our studies of the system level dynamics of these large scale biological networks provide a different perspective on their functioning compared to that obtained from purely structural studies. Our study also leads to some new insights on features such as robustness, fragility and modularity of these large scale biological networks. We also shed light on how different networks inside the cell such as metabolic networks and genetic networks are interrelated to each other.

  2. In situ characterization of nanoparticle biomolecular interactions in complex biological media by flow cytometry

    Science.gov (United States)

    Lo Giudice, Maria Cristina; Herda, Luciana M.; Polo, Ester; Dawson, Kenneth A.

    2016-11-01

    Nanoparticles interacting with, or derived from, living organisms are almost invariably coated in a variety of biomolecules presented in complex biological milieu, which produce a bio-interface or `biomolecular corona' conferring a biological identity to the particle. Biomolecules at the surface of the nanoparticle-biomolecule complex present molecular fragments that may be recognized by receptors of cells or biological barriers, potentially engaging with different biological pathways. Here we demonstrate that using intense fluorescent reporter binders, in this case antibodies bound to quantum dots, we can map out the availability of such recognition fragments, allowing for a rapid and meaningful biological characterization. The application in microfluidic flow, in small detection volumes, with appropriate thresholding of the detection allows the study of even complex nanoparticles in realistic biological milieu, with the emerging prospect of making direct connection to conditions of cell level and in vivo experiments.

  3. Methylene Diphosphonate Chemical and Biological control of MDP complex

    CERN Document Server

    Aungurarat, A

    2000-01-01

    Technetium-9 sup 9 sup m MDP easy prepared from MDP kits which different sources such as OAP (In house), SIGMA. The resulting Tc 9 sup 9 sup m -MDP preparations were controlled in chemical and biological tests to compare the different results in these cases: radiochemical purity, the quantity of starting material and biodistribution result.

  4. How do precision medicine and system biology response to human body's complex adaptability?

    Science.gov (United States)

    Yuan, Bing

    2016-12-01

    In the field of life sciences, although system biology and "precision medicine" introduce some complex scientifific methods and techniques, it is still based on the "analysis-reconstruction" of reductionist theory as a whole. Adaptability of complex system increase system behaviour uncertainty as well as the difficulties of precise identifification and control. It also put systems biology research into trouble. To grasp the behaviour and characteristics of organism fundamentally, systems biology has to abandon the "analysis-reconstruction" concept. In accordance with the guidelines of complexity science, systems biology should build organism model from holistic level, just like the Chinese medicine did in dealing with human body and disease. When we study the living body from the holistic level, we will fifind the adaptability of complex system is not the obstacle that increases the diffificulty of problem solving. It is the "exceptional", "right-hand man" that helping us to deal with the complexity of life more effectively.

  5. Experimental and Theoretical Studies on Biologically Active Lanthanide (III) Complexes

    Science.gov (United States)

    Kostova, I.; Trendafilova, N.; Georgieva, I.; Rastogi, V. K.; Kiefer, W.

    2008-11-01

    The complexation ability and the binding mode of the ligand coumarin-3-carboxylic acid (HCCA) to La(III), Ce(III), Nd(III), Sm(III), Gd(III) and Dy(III) lanthanide ions (Ln(III)) are elucidated at experimental and theoretical level. The complexes were characterized using elemental analysis, DTA and TGA data as well as 1H NMR and 13C NMR spectra. FTIR and Raman spectroscopic techniques as well as DFT quantum chemical calculations were used for characterization of the binding mode and the structures of lanthanide(III) complexes of HCCA. The metal—ligand binding mode is predicted through molecular modeling and energy estimation of different Ln—CCA structures using B3LYP/6-31G(d) method combined with a large quasi-relativistic effective core potential for lanthanide ion. The energies obtained predict bidentate coordination of CCA- to Ln(III) ions through the carbonylic oxygen and the carboxylic oxygen. Detailed vibrational analysis of HCCA, CCA- and Ln(III) complexes based on both calculated and experimental frequencies confirms the suggested metal—ligand binding mode. The natural bonding analysis predicts strongly ionic character of the Ln(III)-CCA bonding in the- complexes studied. With the relatively resistant tumor cell line K-562 we obtained very interesting in-vitro results which are in accordance with our previously published data concerning the activity of lanthanide(III) complexes with other coumarin derivatives.

  6. Biological Properties Of Benzopyran-Based Platinum (Ii Complexes

    Directory of Open Access Journals (Sweden)

    Malinowska Katarzyna

    2014-04-01

    Full Text Available The aim of the study was to analyze the physicochemical synthesized complex 3 [(1,3- thiazol -2- ylimino methyl]-4H- chromene -4 -one with tetrachloroplatinate(II dipotassium and determination peroxidase activity and glutathione (GPX in red blood cells of cancer patients and healthy subjects. Materials and methods. Tests were carried out with the approval of the Bioethics Committee No. RNN/260/08/KB. Blood was collected into tubes with anticoagulant (heparin lithium. Determination of glutathione peroxidase activity was performed by methods of Little and O’Brien in 20 person groups hospitalized at the Department of General and Colorectal Surgery Veterans General Hospital in Łódź. Results. The study was an increase of activity in the control without the compound and after the introduction of the complex relative to the treatment groups. In healthy subjects, without the use of glutathione peroxidase complex averaged 73.25 ± 23.88 U / g Hb after application of the compound corresponds to the reference group 81.01 ± 25.94 U / g Hb. In contrast, in patients without the use of the complex activity amounted to 42.85 ± 27.49 U / g Hb. In the study group, which uses synthesized complex GPX activity corresponds to 67.72 ± 13.44 U / g Hb. Conclusions. The obtained results underline that the introduction of significant blood antioxidant complex research has a significant impact on the results of the determinations. Statistically significant (p < 0.05 difference occurred in both test and no relation to the administration of the complex in relation to the control of 1. 2.

  7. Analysis of complex networks from biology to linguistics

    CERN Document Server

    Dehmer, Matthias

    2009-01-01

    Mathematical problems such as graph theory problems are of increasing importance for the analysis of modelling data in biomedical research such as in systems biology, neuronal network modelling etc. This book follows a new approach of including graph theory from a mathematical perspective with specific applications of graph theory in biomedical and computational sciences. The book is written by renowned experts in the field and offers valuable background information for a wide audience.

  8. Rapid searches for complex patterns in biological molecules.

    OpenAIRE

    Abarbanel, R M; Wieneke, P R; Mansfield, E; Jaffe, D A; Brutlag, D L

    1984-01-01

    The intrinsic redundancy of genetic information makes searching for patterns in biological sequences a difficult task. We have designed an interactive self-documenting computer program called QUEST that allows rapid searching of large DNA and protein data banks for highly redundant consensus sequences or character patterns. QUEST uses a concise language for specifying character patterns containing several levels of ambiguity and pattern arrangement. Examples of the use of this program for seq...

  9. Study of complex molecules of biological interest with synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Prince, K.C. [Elettra-Sincrotrone Trieste, Strada Statale 14–km 163,5 in AREA Science Park, I-34149 Trieste (Italy); Istituto Officina dei Materiali, Consiglio Nazionale delle Ricerche, in Area Science Park, I-34149 Trieste (Italy); Molecular Model Discovery Laboratory, Faculty of Science, Engineering and Technology, Swinburne University of Technology, Hawthorn, Melbourne, Victoria, 3122 (Australia); Bolognesi, P., E-mail: paola.bolognesi@cnr.it [CNR-ISM, Area della Ricerca di Roma 1, Via Salaria Km. 29,300, Monterotondo (Roma) (Italy); Feyer, V. [Elettra-Sincrotrone Trieste, Strada Statale 14–km 163,5 in AREA Science Park, I-34149 Trieste (Italy); Research Center Jülich, Peter Grünberg Institute (PGI-6), 52425 Jülich (Germany); Plekan, O. [Elettra-Sincrotrone Trieste, Strada Statale 14–km 163,5 in AREA Science Park, I-34149 Trieste (Italy); Avaldi, L. [CNR-ISM, Area della Ricerca di Roma 1, Via Salaria Km. 29,300, Monterotondo (Roma) (Italy)

    2015-10-15

    Synchrotron radiation and synchrotron based spectroscopic techniques have found important applications in the study of isolated molecular species of biological interest. In this paper, some examples of spectroscopic and dynamic studies of amino acids and small peptides, nucleobases and pharmaceuticals are reviewed. Opportunities offered by the advent of new radiation sources combined with novel methods for the production of beams of these molecules are also discussed.

  10. The rational design of biological complexity: a deceptive metaphor.

    Science.gov (United States)

    Van Regenmortel, Marc H V

    2007-03-01

    Biologists often claim that they follow a rational design strategy when their research is based on molecular knowledge of biological systems. This claim implies that their knowledge of the innumerable causal connections present in biological systems is sufficient to allow them to deduce and predict the outcome of their experimental interventions. The design metaphor is shown to originate in human intentionality and in the anthropomorphic fallacy of interpreting objects, events, and the behavior of all living organisms in terms of goals and purposes. Instead of presenting rational design as an effective research strategy, it would be preferable to acknowledge that advances in biomedicine are nearly always derived from empirical observations based on trial and error experimentation. The claim that rational design is an effective research strategy was tested in the case of current attempts to develop synthetic vaccines, in particular against human immunodeficiency virus. It was concluded that in this field of biomedicine, trial and error experimentation is more likely to succeed than a rational design approach. Current developments in systems biology may give us eventually a better understanding of the immune system and this may enable us in the future to develop improved vaccines.

  11. Releasing of Cupric Ion of Three types of Copper-bearing Intrauterine Contraceptive Device in Simulated Uterine Fluid

    Institute of Scientific and Technical Information of China (English)

    Jie GAO; Ying LI; Jian-ping LIU; Xuan GU

    2007-01-01

    Objective To compare the cupric ion releasing in vitro of the three IUDs.Methods The stability of cupric ion releasing of IUDs including TCu 380A IUD (TCu 380A), Multiload Cu375 IUD (MCu 375) and Yuangong 365 copper-bearing indomethacin-releasing IUD (Yuangong 365) by the determination of cupric ion releasing in simulated uterine fluid. The simulated uterine fluid was used for releasing media. Copper ion was determined by flame atomic absorption spectrometerResults The cupric ion releasing of three IUDs were instable at the beginning and tend to be stable gradually. In the stable phase, the average level of cupric ion releasing of TCu380A, MCu375 and Yuangong 365 were 4.25±2.71 -7.62±6.42 μg,4.92±1.23 -8.62±3.08 μg and 2.19±0.40-4.68±1.66 μg, respectively. TCu380A had higher instable releasing level than those of Yuangong 365 (P<0. 05).Conclusion TCu 380A and MCu 375 showed a "burst release" during the first few days and the former was of great significance(P<0. 05). The initial cupric ion releasing of Yuangong 365 appeared to be the lowest, followed by MCu375 and TCu380A in a releasing order.

  12. Autocatalysis as the Natural Philosophy Underlying Complexity and Biological Evolution

    Directory of Open Access Journals (Sweden)

    Güngör Gündüz

    2011-06-01

    Full Text Available The importance and different aspects of autocatalysis in evolution was analyzed. The behaviour of autocatalytic reactions mainly the Lotka-Volterra and the Schlögl equations were discussed in terms of phase change, entropy, and their oscillation frequency. The increase of complexity as the general direction of evolution was examined on some patterns in terms of both their entropy and information content. In addition, the relation between stability and functionality, stability and cohesion were discussed. It was concluded that evolution drifts in the direction of increasing complexity as a kind of natural philosophy to counteract the increase of entropy in the universe.

  13. Thermodynamics of interface formation between Hexa-Peri Hexabenzocoronene and Cupric oxide

    Energy Technology Data Exchange (ETDEWEB)

    Manwani, Krishna; Panda, Emila, E-mail: emila@iitgn.ac.in

    2015-02-27

    A thermodynamic formalism has been developed to predict the formation of an ultra-thin interfacial layer at a solid–solid interface. To derive the thermodynamic expressions at crystalline–crystalline as well as crystalline–amorphous interfaces, as used in this study, Miedema's semi-empirical approach is used. This formalism is then applied to understand the interfacial layer formation between the organic Hexa-Peri Hexabenzocoronene and inorganic Cupric oxide layers at room temperature. It is found that, graphene interfacial layer formation is thermodynamically favorable. This prediction is in agreement with the experimental observations from literature. - Highlights: • Formalism was developed to predict ultra-thin interfacial layer between solids. • This is unique to similar and dissimilar systems with scarce thermodynamic data. • Applicability was tested to Hexa-Peri Hexabenzocoronene–Cupric oxide interface. • Model predicted graphene interfacial layer is concurrent with experimental results.

  14. High gradient magnetic filtration of cupric oxide and fly ash particles

    Energy Technology Data Exchange (ETDEWEB)

    Lua, A.C. [Nanyang Technological University (Singapore). School of Mechanical and Production Engineering

    1996-12-31

    High gradient magnetic filtration (HGMF) tests have been carried out on cupric oxide particles and power plant fly ash which were dispersed in air streams. An experimental test rig was set up to conduct these tests. Results showed that for cupric oxide particles, filtration efficiencies of up to 95% were obtained for submicron sizes with dust loadings of up to 0.36 time the matrix volume. For fly ash, filtration efficiencies of up to 65% were obtained for submicron particles. However, all particle sizes showed progressive deterioration in efficiencies with loading. At the end of the test, the matrix had collected 0.52 times its own mass of fly ash. 2 refs., 7 figs.

  15. The Synthesis of Highly Aligned Cupric Oxide Nanowires by Heating Copper Foil

    Directory of Open Access Journals (Sweden)

    Jianbo Liang

    2011-01-01

    Full Text Available We have investigated the effects of grain size and orientation of copper substrates for the growth of cupric oxide nanowires by thermal oxidation method. Long, less-roughness, high-density, and aligned cupric oxide nanowires have been synthesized by heating (200 oriented copper foils with small grain size in air gas. Long and aligned nanowires of diameter around 80 nm can only be formed within a short temperature range from 400 to 700°C. On the other hand, uniform, smooth-surface, and aligned nanowires were not formed in the case of larger crystallite size of copper foils with (111 and (200 orientation. Smaller grain size of copper foil with (200 orientation is favorable for the growth of highly aligned, smooth surface, and larger-diameter nanowires by thermal oxidation method.

  16. Cupric natural zeolites as microbic ides;Zeolitas naturales cupricas como microbicidas

    Energy Technology Data Exchange (ETDEWEB)

    Contreras A, D.; Olguin G, M. T.; Alcantara D, D.; Burrola A, C., E-mail: teresa.olguin@inin.gob.m [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

    2009-07-01

    The Escherichia coli and the Candida albicans are considered contamination indicators for what these organisms reflect the water quality. The natural zeolites by their characteristics and properties, they could incorporate to a waters treatment system, as ion exchange, adsorbents and/or microbiocid agents, representing an alternative method of low cost. Inside this investigation work was found that depending on the microorganism type, it varies the quantity of cupric zeolite that is required to carry out the water disinfection, being great for the case of yeasts than the bacteria s. In addition to that marked differences are presented in the required time to reach this process. The characterization of the natural zeolite material, sodium and cupric, was realized by means of scanning electron microscopy, determining the elementary composition (Energy Dispersive Spectroscopy) of each one of them, and by X-ray diffraction. (Author)

  17. North Mississippi Refuges Complex Biological Program 'Pulse-Check' Review - DRAFT REPORT

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — Biological review for the three refuges of the North Mississippi Refuges Complex is presented. Review is based on an assessment of addressing goals and objectives...

  18. Highly Efficient and Versatile Acetalization of Glycol Catalyzed by Cupric p-Toluenesulfonate

    Institute of Scientific and Technical Information of China (English)

    LIU,Cai-Hua; YU,Xin-Yu; LIANG,Xue-Zheng; WANG,Wen-Juan; YANG,Jian-Guo; HE,Ming-Yuan

    2007-01-01

    Acetalization of glycol with carbonyl compounds was carried out catalyzed by cupric p-toluenesulfonate. These carbonyl compounds included cyclohexanone, propionoaldehyde, n-butyraldehyde, iso-butyraldehyde, n-valeraldehyde, benzaldehyde and butanone. Satisfactory results were obtained: the conversions of these carbonyl compounds were more than 90%, the selectivities were higher than 99.1%, only 0.1% mole ratio of catalyst to substrate and 90 min were sufficient in most cases. The catalyst and products were separated easily by phase separation.

  19. Using Simple Manipulatives to Improve Student Comprehension of a Complex Biological Process: Protein Synthesis

    Science.gov (United States)

    Guzman, Karen; Bartlett, John

    2012-01-01

    Biological systems and living processes involve a complex interplay of biochemicals and macromolecular structures that can be challenging for undergraduate students to comprehend and, thus, misconceptions abound. Protein synthesis, or translation, is an example of a biological process for which students often hold many misconceptions. This article…

  20. The copper recovery from cupric oxide catalysts by plasma reduction process

    Energy Technology Data Exchange (ETDEWEB)

    Imris, I.; Klenovcanova, A. [Technical Univ. of Kosice, Kosice (Slovakia). Dept. of Power Engineering

    2007-07-01

    A plasma reduction process was used to recover copper from cupric oxide catalysts. Two types of plasma reduction smelting tests were conducted to verify the thermodynamic calculations. The plasma reactor consisted of a cylindrical steel shell lined with a castable alumina and a graphite crucible. Cupric oxide catalyst ESM 461 was mixed with stoichiometric amounts of carbon reductant and a 10 per cent addition of calcium oxide flux. Results of the experimental tests and the thermodynamic analysis showed that the copper can be extracted from cupric oxide using the plasma reduction process. Copper recovery was limited by physico-chemical copper losses. Copper oxide solubility was relatively high, so that copper recovery was low in their first series of plasma tests. The addition of calcium oxide flux improved copper recovery rates when dicalcium silicate was formed in the slag. The offgas samples indicated that concentrations of carbon monoxide (CO) in the gas phase was very high. It was concluded that the process is both commercially feasible and does not produce liquid or solid wastes. 7 refs., 2 tabs., 4 figs.

  1. Overcoming Problems in the Measurement of Biological Complexity

    CERN Document Server

    Cebrian, Manuel; Ortega, Alfonso

    2010-01-01

    In a genetic algorithm, fluctuations of the entropy of a genome over time are interpreted as fluctuations of the information that the genome's organism is storing about its environment, being this reflected in more complex organisms. The computation of this entropy presents technical problems due to the small population sizes used in practice. In this work we propose and test an alternative way of measuring the entropy variation in a population by means of algorithmic information theory, where the entropy variation between two generational steps is the Kolmogorov complexity of the first step conditioned to the second one. As an example application of this technique, we report experimental differences in entropy evolution between systems in which sexual reproduction is present or absent.

  2. Bioinspired Concepts: Unified Theory for Complex Biological and Engineering Systems

    Science.gov (United States)

    2006-01-01

    long cycles , we achieve equality in (4) by essentially using the operating scheme of the Carnot heat engine. This is a physical hard limit: It is...control theory, and computational complexity (classically associated with names such as Carnot , Shannon, Bode, and Turing) all assume incompat- ible...substantially extended from an analytic tool of reverse -engineering TCP congestion control to a general approach to understand in- teractions across layers

  3. Complexation of oppositely charged polyelectrolytes in gene delivery and biology

    Science.gov (United States)

    Shklovskii, Boris

    2009-03-01

    Charge inversion of a DNA double helix by a positively charged flexible polymer (polyelectrolyte) is widely used to facilitate DNA contact with negative cell membranes for gene delivery. Motivated by this application in the first part of the talk I study the phase diagram a solution of long polyanions (PA) with a shorter polycations (PC) as a function the ratio of total charges of PC and PA in the solution, x, and the concentration of monovalent salt. Each PA attracts many PCs to form a complex. When x= 1, the complexes are neutral and condense in a macroscopic drop. When x is far away from 1, complexes are strongly charged and stable. PA are overcharged by PC at x > 1 and undercharged by PC at x vegetable viruses from long ss-RNA molecule paying role of scaffold and identical capsid proteins with long positive tails. I show that optimization Coulomb energy of the virus leads to the charge of RNA twice larger than the total charge of the capsid, in agreement with the experimental data. Then I discuss kinetics of the Coulomb complexation driven virus self-assembly. Capsid proteins stick to unassembled chain of ss RNA (which we call ``antenna'') and slide on it towards the assembly site. I show that at excess of capsid proteins such one-dimensional diffusion accelerates self-assembly more than ten times. On the other hand at excess of ss-RNA, antenna slows self-assembly down. Several experiments are proposed to verify the role of ss-RNA antenna in self-assembly.

  4. Life Is Simple—Biologic Complexity Is an Epiphenomenon

    Science.gov (United States)

    Torday, John S.

    2016-01-01

    Life originated from unicellular organisms by circumventing the Second Law of Thermodynamics using the First Principles of Physiology, namely negentropy, chemiosmosis and homeostatic regulation of calcium and lipids. It is hypothesized that multicellular organisms are merely contrivances or tools, used by unicellular organisms as agents for the acquisition of epigenetic inheritance. The First Principles of Physiology, which initially evolved in unicellular organisms are the exapted constraints that maintain, sustain and perpetuate that process. To ensure fidelity to this mechanism, we must return to the first principles of the unicellular state as the determinants of the primary level of selection pressure during the life cycle. The power of this approach is reflected by examples of its predictive value. This perspective on life is a “game changer”, mechanistically rendering transparent many dogmas, teleologies and tautologies that constrain the current descriptive view of Biology. PMID:27128951

  5. Spectroscopic study of molecular structure, antioxidant activity and biological effects of metal hydroxyflavonol complexes

    Science.gov (United States)

    Samsonowicz, Mariola; Regulska, Ewa

    2017-02-01

    Flavonols with varied hydroxyl substitution can act as strong antioxidants. Thanks to their ability to chelate metals as well as to donate hydrogen atoms they have capacity to scavenge free radicals. Their metal complexes are often more active in comparison with free ligands. They exhibit interesting biological properties, e.g. anticancer, antiphlogistic and antibacterial. The relationship between molecular structure and their biological properties was intensively studied using spectroscopic methods (UV-Vis, IR, Raman, NMR, ESI-MS). The aim of this paper is review on spectroscopic analyses of molecular structure and biological activity of hydroxyflavonol metal complexes.

  6. Oxidatively Robust Monophenolate-Copper(II) Complexes as Potential Models of Galactose Oxidation

    NARCIS (Netherlands)

    Koten, G. van; Klein Gebbink, R.J.M.; Watanabe, M.; Pratt, R.C.; Stack, D.P.

    2003-01-01

    Cupric complexes of a novel phenanthroline-phenolate ligand have strongly distorted coordination geometries and electrochemical properties conducive to modeling the spectroscopy and reactivity of the enzyme galactose oxidase.

  7. Hypoxia-inducible factor 3 biology: complexities and emerging themes.

    Science.gov (United States)

    Duan, Cunming

    2016-02-15

    The hypoxia-inducible factor (HIF) family has three distinct members in most vertebrates. All three HIFs consist of a unique and oxygen-labile α-subunit and a common and stable β-subunit. While HIF-1 and HIF-2 function as master regulators of the transcriptional response to hypoxia, much less is known about HIF-3. The HIF-3α gene gives rise to multiple HIF-3α variants due to the utilization of different promoters, different transcription initiation sites, and alternative splicing. These HIF-3α variants are expressed in different tissues, at different developmental stages, and are differentially regulated by hypoxia and other factors. Recent studies suggest that different HIF-3α variants have different and even opposite functions. There is strong evidence that full-length HIF-3α protein functions as an oxygen-regulated transcription activator and that it activates a unique transcriptional program in response to hypoxia. Many HIF-3α target genes have been identified. While some short HIF-3α variants act as dominant-negative regulators of HIF-1/2α actions, other HIF-3α variants can inhibit HIF-1/2α actions by competing for the common HIF-β. There are also a number of HIF-3α variants yet to be explored. Future studies of these naturally occurring HIF-3α variants will provide new and important insights into HIF biology and may lead to the development of new therapeutic strategies.

  8. Influence of Complex Refractive Index on Diffuse Reflection of Biological Tissues

    Institute of Scientific and Technical Information of China (English)

    LAI Jian-Cheng; LI Zhen-Hua; HE An-Zhi

    2005-01-01

    @@ Complex refractive indices are introduced to solve various boundary questions at the interfaces when modelling light migration within heterogeneous tissues. Combined with the complex refractive index, Fresnel's formulae are used to describe the reflection and transmission at the interfaces between two heterogeneous tissues layers.Using the Monte Carlo method, the influence of the complex refractive index on diffuse reflection of semi-infinite biological tissues is discussed. The results show that neglecting the imaginary part of the refractive index of tissues will bring a major deviation in the diffuse reflection of semi-infinite biological tissues when its emitting point is apart from the incident point.

  9. Functionalized diamond nanopowder for phosphopeptides enrichment from complex biological fluids

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Dilshad [Division of Analytical Chemistry, Institute of Chemical Sciences, Bahauddin Zakariya University, Multan 60800 (Pakistan); Najam-ul-Haq, Muhammad, E-mail: najamulhaq@bzu.edu.pk [Division of Analytical Chemistry, Institute of Chemical Sciences, Bahauddin Zakariya University, Multan 60800 (Pakistan); Institute of Analytical Chemistry and Radiochemistry, Leopold-Franzens University, Innrain 80-82, A-6020 Innsbruck (Austria); Jabeen, Fahmida; Ashiq, Muhammad N.; Athar, Muhammad [Division of Analytical Chemistry, Institute of Chemical Sciences, Bahauddin Zakariya University, Multan 60800 (Pakistan); Rainer, Matthias; Huck, Christian W.; Bonn, Guenther K. [Institute of Analytical Chemistry and Radiochemistry, Leopold-Franzens University, Innrain 80-82, A-6020 Innsbruck (Austria)

    2013-05-02

    Graphical abstract: -- Highlights: •Derivatization of diamond nanopowder as IMAC and RP. •Characterization with SEM, EDX and FT-IR. •Phosphopeptide enrichment from standard as well as real samples. •Desalting and human serum profiling with reproducible results. •MALDI-MS analysis with database identification. -- Abstract: Diamond is known for its high affinity and biocompatibility towards biomolecules and is used exclusively in separation sciences and life science research. In present study, diamond nanopowder is derivatized as Immobilized Metal Ion Affinity Chromatographic (IMAC) material for the phosphopeptides enrichment and as Reversed Phase (C-18) media for the desalting of complex mixtures and human serum profiling through MALDI-TOF-MS. Functionalized diamond nanopowder is characterized by Fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) spectroscopy. Diamond-IMAC is applied to the standard protein (β-casein), spiked human serum, egg yolk and non-fat milk for the phosphopeptides enrichment. Results show the selectivity of synthesized IMAC-diamond immobilized with Fe{sup 3+} and La{sup 3+} ions. To comprehend the elaborated use, diamond-IMAC is also applied to the serum samples from gall bladder carcinoma for the potential biomarkers. Database search is carried out by the Mascot program ( (www.matrixscience.com)) for the assignment of phosphorylation sites. Diamond nanopowder is thus a separation media with multifunctional use and can be applied to cancer protein profiling for the diagnosis and biomarker identification.

  10. Role of the ESCRT Complexes in Telomere Biology

    Directory of Open Access Journals (Sweden)

    Anna K. Dieckmann

    2016-11-01

    Full Text Available Eukaryotic chromosomal ends are protected by telomeres from fusion, degradation, and unwanted double-strand break repair events. Therefore, telomeres preserve genome stability and integrity. Telomere length can be maintained by telomerase, which is expressed in most human primary tumors but is not expressed in the majority of somatic cells. Thus, telomerase may be a highly relevant anticancer drug target. Genome-wide studies in the yeast Saccharomyces cerevisiae identified a set of genes associated with telomere length maintenance (TLM genes. Among the tlm mutants with short telomeres, we found a strong enrichment for those affecting vacuolar and endosomal traffic (particularly the endosomal sorting complex required for transport [ESCRT] pathway. Here, we present our results from investigating the surprising link between telomere shortening and the ESCRT machinery. Our data show that the whole ESCRT system is required to safeguard proper telomere length maintenance. We propose a model of impaired end resection resulting in too little telomeric overhang, such that Cdc13 binding is prevented, precluding either telomerase recruitment or telomeric overhang protection.

  11. Cupric ion reducing antioxidant capacity assay for antioxidants in human serum and for hydroxyl radical scavengers.

    Science.gov (United States)

    Apak, Reşat; Güçlü, Kubilay; Ozyürek, Mustafa; Bektaşoğlu, Burcu; Bener, Mustafa

    2010-01-01

    Tests measuring the combined antioxidant effect of the nonenzymatic defenses in biological fluids may be useful in providing an index of the organism's capability to counteract reactive species known as pro-oxidants, resist oxidative damage, and combat oxidative stress-related diseases. The selected chromogenic redox reagent for the assay of human serum should be easily accessible, stable, selective, and respond to all types of biologically important antioxidants such as ascorbic acid, alpha-tocopherol, beta-carotene, reduced glutathione (GSH), uric acid, and bilirubin, regardless of chemical type or hydrophilicity. Our recently developed cupric reducing antioxidant capacity (CUPRAC) spectrophotometric method for a number of polyphenols and flavonoids using the copper(II)-neocuproine reagent in ammonium acetate buffer is now applied to a complete series of plasma antioxidants for the assay of total antioxidant capacity of serum, and the resulting absorbance at 450 nm is recorded either directly (e.g., for ascorbic acid, alpha-tocopherol, and glutathione) or after incubation at 50 degrees C for 20 min (e.g., for uric acid, bilirubin, and albumin), quantitation being made by means of a calibration curve. The lipophilic antioxidants, alpha-tocopherol and beta-carotene, are assayed in dichloromethane. Lipophilic antioxidants of serum are extracted with n-hexane from an ethanolic solution of serum subjected to centrifugation. Hydrophilic antioxidants of serum are assayed in the centrifugate after perchloric acid precipitation of proteins. The CUPRAC molar absorptivities, linear ranges, and TEAC (trolox equivalent antioxidant capacity) coefficients of the serum antioxidants are established, and the results are evaluated in comparison with the findings of the ABTS/TEAC reference method. The intra- and inter-assay coefficients of variation (CVs) are 0.7 and 1.5%, respectively, for serum. The CUPRAC assay proved to be efficient for glutathione and thiol-type antioxidants

  12. An Efficient Machine Learning Approach To Low-Complexity Filtering In Biological Sequences

    Energy Technology Data Exchange (ETDEWEB)

    Barber, Christopher A; Oehmen, Christopher S

    2012-06-09

    Biological sequences contain low-complexity regions (LCRs) which produce superfluous matches in homology searches, and lead to slow execution of database search algorithms such as BLAST. These regions are efficiently identified by low-complexity filtering algorithms such as SDUST and SEG, which are included in the BLAST tool-suite. These algorithms target differing notions of complexity, so an algorithm which combines their sensitivities is pursued. A variety of features are derived from these algorithms, as well as a new filtering algorithm based on Lempel-Ziv complexity. Artificial sequences with known LCRs are used to train and evaluate an SVM classifier, which significantly outperforms the standalone filtering algorithms.

  13. Development of a General Modeling Framework for Investigating Complex Interactions among Biological and Physical Ecosystem Dynamics

    Science.gov (United States)

    Bennett, C.; Poole, G. C.; Kimball, J. S.; Stanford, J. A.; O'Daniel, S. J.; Mertes, L. A.

    2005-05-01

    Historically, physical scientists have developed models with highly accurate governing equations, while biologists have excelled at abstraction (the strategic simplification of system complexity). These different modeling paradigms yield biological (e.g. food web) and physical (e.g. hydrologic) models that can be difficult to integrate. Complex biological dynamics may be impossible to represent with governing equations. Conversely, physical processes may be oversimplified in biological models. Using agent-based modeling, a technique applied widely in social sciences and economics, we are developing a general modeling system to integrate accurate representations of physical dynamics such as water and heat flux with abstracted biological processes such as nutrient transformations. The modeling system represents an ecosystem as a complex integrated network of intelligent physical and biological "agents" that store, transform, and trade ecosystem resources (e.g., water, heat, nutrients, carbon) using equations that describe either abstracted concepts and/or physical laws. The modular design of the system allows resource submodels to be developed independently and installed into the simulation architecture. The modeling system provides a useful heuristic tool to support integrated physical and biological research topics, such as the influence of hydrologic dynamics and spatio-temporal physical heterogeneity on trophic (food web) dynamics and/or nutrient cycling.

  14. Correlation of mRNA and protein in complex biological samples.

    Science.gov (United States)

    Maier, Tobias; Güell, Marc; Serrano, Luis

    2009-12-17

    The correlation between mRNA and protein abundances in the cell has been reported to be notoriously poor. Recent technological advances in the quantitative analysis of mRNA and protein species in complex samples allow the detailed analysis of this pathway at the center of biological systems. We give an overview of available methods for the identification and quantification of free and ribosome-bound mRNA, protein abundances and individual protein turnover rates. We review available literature on the correlation of mRNA and protein abundances and discuss biological and technical parameters influencing the correlation of these central biological molecules.

  15. Spectrophotometric total reducing sugars assay based on cupric reduction.

    Science.gov (United States)

    Başkan, Kevser Sözgen; Tütem, Esma; Akyüz, Esin; Özen, Seda; Apak, Reşat

    2016-01-15

    As the concentration of reducing sugars (RS) is controlled by European legislation for certain specific food and beverages, a simple and sensitive spectrophotometric method for the determination of RS in various food products is proposed. The method is based on the reduction of Cu(II) to Cu(I) with reducing sugars in alkaline medium in the presence of 2,9-dimethyl-1,10-phenanthroline (neocuproine: Nc), followed by the formation of a colored Cu(I)-Nc charge-transfer complex. All simple sugars tested had the linear regression equations with almost equal slope values. The proposed method was successfully applied to fresh apple juice, commercial fruit juices, milk, honey and onion juice. Interference effect of phenolic compounds in plant samples was eliminated by a solid phase extraction (SPE) clean-up process. The method was proven to have higher sensitivity and precision than the widely used dinitrosalicylic acid (DNS) colorimetric method.

  16. Photoelectrochemical water splitting for hydrogen production with metal oxide (hematite and cupric oxide) based photocatalysts

    Science.gov (United States)

    Tang, Houwen

    Solar hydrogen is one ideal energy source to replace fossil fuel, as it is sustainable and environmentally friendly. Solar hydrogen can be generated in a number of ways. Photoelectrochemical (PEC) water splitting is one of the most promising methods for solar-to-chemical energy conversion. In this research project, metal oxide-based photocatalysts, especially hematite (α-Fe 2O3) and cupric oxide (CuO), were investigated for use as electrodes in PEC water splitting for solar hydrogen production. In our research project of hematite-based electrodes, we started with the incorporation of transition metal, particularly titanium (Ti), in hematite thin films to modify the valence and conduction band edges of hematite. We found that Ti impurities improve the electron conductivity of hematite and consequently lead to significantly enhanced photocurrents. We further investigated the Ti and Mg co-alloyed hematite. In this case, Ti is the donor and Mg is the acceptor in hematite. The co-alloying approach enhanced the solubility of Mg and Ti, which led to reduced electron effective mass and therefore increased electron mobility. Also, co-alloying tunes the carrier density and therefore allows the optimization of electrical conductivity. The densities of charged defects were found to be reduced, and therefore carrier recombinations were reduced. As a result, the Ti and Mg co-alloyed hematite thin films exhibited much improved performance in PEC water splitting as compared to pure hematite thin films. For the study of cupric oxide-based electrodes, we first investigated the possibility of reducing the electrode corrosion of cupric oxide in aqueous solutions by incorporating Ti as an electrode corrosion inhibitor. We found that Ti alloying can enhance the stability of cupric oxide in base solutions at the cost of reducing its crystallinity and optical absorption, and consequently lowering its photon-to-electron conversion efficiency. In order to balance the stability and the

  17. The influence of cupric ions on shape of potentiodynamic curves obtained on 18 K gold

    Directory of Open Access Journals (Sweden)

    Rajčić-Vujasinović Mirjana

    2002-01-01

    Full Text Available The shape of potentiodynamic curves depends mainly on the composition of investigated alloys, but also on the electrolyte used in experiments. In this work investigation were performed for pure gold, and pure silver and copper as alloying metals, then for binary alloys Au-Ag and Au-Cu containing gold as in 18 k gold (i.e. 75 % Au and Ag-Cu with mass ratio 1:1 and, finally, for three component 18 k gold. It was established a catalytic effect of cupric ions present in electrolyte on oxidation of gold and 18 k gold alloys.

  18. Proteomics-Based Analysis of Protein Complexes in Pluripotent Stem Cells and Cancer Biology

    Directory of Open Access Journals (Sweden)

    Putty-Reddy Sudhir

    2016-03-01

    Full Text Available A protein complex consists of two or more proteins that are linked together through protein–protein interactions. The proteins show stable/transient and direct/indirect interactions within the protein complex or between the protein complexes. Protein complexes are involved in regulation of most of the cellular processes and molecular functions. The delineation of protein complexes is important to expand our knowledge on proteins functional roles in physiological and pathological conditions. The genetic yeast-2-hybrid method has been extensively used to characterize protein-protein interactions. Alternatively, a biochemical-based affinity purification coupled with mass spectrometry (AP-MS approach has been widely used to characterize the protein complexes. In the AP-MS method, a protein complex of a target protein of interest is purified using a specific antibody or an affinity tag (e.g., DYKDDDDK peptide (FLAG and polyhistidine (His and is subsequently analyzed by means of MS. Tandem affinity purification, a two-step purification system, coupled with MS has been widely used mainly to reduce the contaminants. We review here a general principle for AP-MS-based characterization of protein complexes and we explore several protein complexes identified in pluripotent stem cell biology and cancer biology as examples.

  19. 氯化铜脱除硫化氢气体制硫磺研究%H2S Removal with Cupric Chloride for Producing Sulfur

    Institute of Scientific and Technical Information of China (English)

    张俊丰; 童志权

    2006-01-01

    A novel technology of removing H2S with cupric chloride solution was developed in this paper. Cupric as the form of CuS deposition, the CuS produced was then oxidized by excessive cupric ion in another reactor meanwhile cupric ion that has been consumed can be recovered by the oxidization of CuCl2- with oxygen in air,and the solution can be circulated. Moreover, the leaching kinetics of CuS by cupric ion was studied. The removal efficiency of H2S is close to 100%, and the required operating condition is mild. Compared with other wet oxidization methods, no raw material is consumed except O2 in air, the process has no secondary pollution and no problem of degradation and scale, and the absorbent is much stable and reliable.

  20. Study of complex matrix effect on solid phase microextraction for biological sample analysis.

    Science.gov (United States)

    Jiang, Ruifen; Xu, Jianqiao; Zhu, Fang; Luan, Tiangang; Zeng, Feng; Shen, Yong; Ouyang, Gangfeng

    2015-09-11

    Solid phase microextraction (SPME) has become a useful tool for in vivo monitoring the behavior of environmental organic pollutants in biological species due to its simplicity, relatively non-invasive, and cost-effective manner. However, the complex matrices in biological samples could significantly influence the extraction kinetic, and bias the quantification result. In this study, we investigated the effect of complex matrix on the extraction kinetic of SPME for biological sample analysis. Two sample matrices, phosphate-buffered saline (PBS) with bovine serum albumin (BSA) and agarose gel with BSA were used to simulate the biological fluid and tissue. Results showed that the addition of BSA significantly enhanced the mass transfer of organic compounds onto SPME fiber in both PBS buffer and gel sample. Enhancement factors ranging from 1.3 to 27, and 2.0 to 80 were found for all selected polyaromatic hydrocarbons (PAHs) in PBS buffer and agarose gel with BSA concentration of 0.1-5%, respectively. Then, an improved theoretical model was applied to quantify the observed enhancement effect, and the result showed that the predicted sampling time constant agreed well with the experimental one in complex matrix. Furthermore, a simplified equation was proposed for the real biological sample analysis.

  1. Agent-oriented modeling of the dynamics of complex biological processes I: single agent models

    NARCIS (Netherlands)

    Jonker, C.M.; Treur, J.

    2008-01-01

    In the pair of papers of which this is Part I, the agent-oriented modeling perspective to cope with biological complexity is discussed. Three levels of dynamics are distinguished and related to each other: dynamics of externally observable agent behavior, dynamics of internal agent processes, and dy

  2. Flow cytometry for bacteria: enabling metabolic engineering, synthetic biology and the elucidation of complex phenotypes.

    Science.gov (United States)

    Tracy, Bryan P; Gaida, Stefan M; Papoutsakis, Eleftherios T

    2010-02-01

    Flow cytometry (FC) and FC-based cell sorting have been established as critical tools in modern cell and developmental biology. Yet, their applications in bacteria, especially in the multiparametric mode, remain limited. We argue that FC technologies have the potential to greatly accelerate the analysis and development of microbial complex phenotypes through applications of metabolic engineering, synthetic biology, and evolutionary engineering. We demonstrate the importance of FC for elucidating population heterogeneity because of developmental processes or epigenetic regulation. FC can be engaged for both synthetic and analytical applications of complex phenotypes within a single species, multispecies, and microbial-library populations. Examples include methods to identify developmental microbial stages associated with productive metabolic phenotypes, select desirable promoters from a single species or metagenomic libraries, and to screen designer riboswitches for synthetic-biology applications.

  3. Uptake of iodide by a mixture of metallic copper and cupric compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lefevre, G.; Alnot, M.; Ehrhardt, J.J.; Bessiere, J. [Univ. Henri Poincare Nancy 1, Villers les Nancy (France). Lab. de Chimie Physique pour l`Environnement

    1999-05-15

    Environmental contaminants harmful to the health of present and future generations involve nuclear fission products as iodine radioisotopes. {sup 129}I is potentially one of the more mobile products because of its long half-life and its tendency to go into solution as an anion that is not retarded with silicate minerals. Ability of copper/cupric compound mixtures to remove iodide from solution was investigated to predict sorption of radioactive iodine in the environment and to assess their use in a nuclear reprocessing method. Thermodynamic calculations were performed to study the stability of such mixtures in solution and to obtain equilibrium constants of Cu(0)/Cu(II)/I{sup {minus}} and Cu(0)/Cu(II)/Cl{sup {minus}} systems. Both calculations and experimental results showed that a Cu(0)/Cu{sub 3}(OH){sub 2}(CO{sub 3}){sub 2} (azurite) mixture selectively uptakes iodide ions (initial concentrations: 10{sup {minus}2} and 10{sup {minus}1} M) in the presence of 10{sup {minus}1} M chloride ions. Reaction of iodide with copper powder and azurite crystal or copper plate and azurite powder have also been investigated, leading to precipitation of CuI onto massive copper phase. The different solids were separately analyzed by XPS and MEB-EDX, giving some insight in the uptake mechanism. It is proposed that soluble copper released by the cupric compound is reduced at the surface of metallic copper, leading to a preferential precipitation of CuI on copper surface.

  4. Thermal stimulated current response in cupric oxide single crystal thin films over a wide temperature range

    Science.gov (United States)

    Yang, Kungan; Wu, Shuxiang; Yu, Fengmei; Zhou, Wenqi; Wang, Yunjia; Meng, Meng; Wang, Gaili; Zhang, Yueli; Li, Shuwei

    2017-01-01

    Cupric oxide single crystal thin films (~26 nm) were grown by plasma-assisted molecular beam epitaxy. X-ray diffraction, Raman spectra and in situ reflection high-energy electron diffraction show that the thin films are 2  ×  2 reconstructed with an in-plane compression and out-of-plane stretching. A thermal stimulated current measurement indicates that the electric polarization response is shown in the special 2D cupric oxide single crystal thin film over a wide temperature range from 130 K to near-room temperature. We infer that the abnormal electric response involves the changing of phase transition temperature induced by structure distortion, the spin frustration and the magnetic fluctuation effect of a short-range magnetic order, or the combined action of both of the two factors mentioned above. This work suggests a promising clue for finding new room temperature single phase multiferroics or tuning phase transition temperatures.

  5. Chemometric and Statistical Analyses of ToF-SIMS Spectra of Increasingly Complex Biological Samples

    Energy Technology Data Exchange (ETDEWEB)

    Berman, E S; Wu, L; Fortson, S L; Nelson, D O; Kulp, K S; Wu, K J

    2007-10-24

    Characterizing and classifying molecular variation within biological samples is critical for determining fundamental mechanisms of biological processes that will lead to new insights including improved disease understanding. Towards these ends, time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used to examine increasingly complex samples of biological relevance, including monosaccharide isomers, pure proteins, complex protein mixtures, and mouse embryo tissues. The complex mass spectral data sets produced were analyzed using five common statistical and chemometric multivariate analysis techniques: principal component analysis (PCA), linear discriminant analysis (LDA), partial least squares discriminant analysis (PLSDA), soft independent modeling of class analogy (SIMCA), and decision tree analysis by recursive partitioning. PCA was found to be a valuable first step in multivariate analysis, providing insight both into the relative groupings of samples and into the molecular basis for those groupings. For the monosaccharides, pure proteins and protein mixture samples, all of LDA, PLSDA, and SIMCA were found to produce excellent classification given a sufficient number of compound variables calculated. For the mouse embryo tissues, however, SIMCA did not produce as accurate a classification. The decision tree analysis was found to be the least successful for all the data sets, providing neither as accurate a classification nor chemical insight for any of the tested samples. Based on these results we conclude that as the complexity of the sample increases, so must the sophistication of the multivariate technique used to classify the samples. PCA is a preferred first step for understanding ToF-SIMS data that can be followed by either LDA or PLSDA for effective classification analysis. This study demonstrates the strength of ToF-SIMS combined with multivariate statistical and chemometric techniques to classify increasingly complex biological samples

  6. Spectral, XRD, SEM and biological activities of transition metal complexes of polydentate ligands containing thiazole moiety

    Science.gov (United States)

    Neelakantan, M. A.; Marriappan, S. S.; Dharmaraja, J.; Jeyakumar, T.; Muthukumaran, K.

    2008-11-01

    Metal complexes of o-vanillidene-2-aminobenzothiazole have been prepared and characterized by elemental and spectral (vibrational, electronic, 1H NMR and EPR) data as well as magnetic susceptibility measurements and thermo gravimetric analysis (TG/DTA). The low molar conductance values reveal the non-electrolytic nature of these complexes. The elemental analysis suggests that the stoichiometry to be 1:2 (metal:ligand). Magnetic susceptibility data coupled with electronic spectra suggest that two ligands coordinate to each metal atom by phenolic oxygen and imino nitrogen to form high spin octahedral complex with Co(II), Mn(II) and Ni(II). The fifth and sixth position of metal ion is satisfied with water molecules. The thermal behaviour (TG/DTA) of the synthesised complexes shows that the complexes loss water molecules in the first step followed by decomposition of the ligand. Spin Hamiltonian parameters predict a distorted tetrahedral geometry for the copper complex. XRD and SEM analysis provide the crystalline nature and the morphology of the metal complexes. The in vitro biological activity of the metal chelates is tested against the Gram positive bacteria ( Bacillus amyloliquifacians) and gram negative bacteria ( Pseudomonas species), fungus ( Aspergillus niger) and yeast ( Sacchromyces cereviaceae). Most of the metal chelates exhibited higher biological activities.

  7. Degeneracy: a link between evolvability, robustness and complexity in biological systems

    CERN Document Server

    Whitacre, James

    2010-01-01

    A full accounting of biological robustness remains elusive; both in terms of the mechanisms by which robustness is achieved and the forces that have caused robustness to grow over evolutionary time. Although its importance to topics such as ecosystem services and resilience is well recognized, the broader relationship between robustness and evolution is only starting to be fully appreciated. A renewed interest in this relationship has been prompted by evidence that mutational robustness can play a positive role in the discovery of future adaptive innovations (evolvability) and evidence of an intimate relationship between robustness and complexity in biology. This paper offers a new perspective on the mechanics of evolution and the origins of complexity, robustness, and evolvability. Here we explore the hypothesis that degeneracy, a partial overlap in the functioning of multi-functional components, plays a central role in the evolution and robustness of complex forms. In support of this hypothesis, we present ...

  8. Physical properties and biological activities of hesperetin and naringenin in complex with methylated β-cyclodextrin

    Directory of Open Access Journals (Sweden)

    Waratchada Sangpheak

    2015-12-01

    Full Text Available The aim of this work is to improve physical properties and biological activities of the two flavanones hesperetin and naringenin by complexation with β-cyclodextrin (β-CD and its methylated derivatives (2,6-di-O-methyl-β-cyclodextrin, DM-β-CD and randomly methylated-β-CD, RAMEB. The free energies of inclusion complexes between hesperetin with cyclodextrins (β-CD and DM-β-CD were theoretically investigated by molecular dynamics simulation. The free energy values obtained suggested a more stable inclusion complex with DM-β-CD. The vdW force is the main guest–host interaction when hesperetin binds with CDs. The phase solubility diagram showed the formation of a soluble complex of AL type, with higher increase in solubility and stability when hesperetin and naringenin were complexed with RAMEB. Solid complexes were prepared by freeze-drying, and the data from differential scanning calorimetry (DSC confirmed the formation of inclusion complexes. The data obtained by the dissolution method showed that complexation with RAMEB resulted in a better release of both flavanones to aqueous solution. The flavanones-β-CD/DM-β-CD complexes demonstrated a similar or a slight increase in anti-inflammatory activity and cytotoxicity towards three different cancer cell lines. The overall results suggested that solubilities and bioactivities of both flavanones were increased by complexation with methylated β-CDs.

  9. Paradigms in the structural biology of the mitogenic ternary complex FGF:FGFR:heparin.

    Science.gov (United States)

    Pomin, Vitor H

    2016-08-01

    The main achievements regarding the molecular interaction involving fibroblast growth factors (FGFs), canonical receptors (FGFRs) and the glycosaminoglycans (GAGs) heparan sulfate (HS)/heparin (Hp) are overviewed. Despite the recent works concerning the subject, conflicting paradigms in the structural biology of the resultant ternary complex FGF:FGFR:HS/Hp seem to persist up to these days. The principal dilemma, centered on the functional intermolecular complex of mitogenesis and angiogenesis, has been lasting for approximately a decade and a half since the publications of the two contradicting crystal structures, the asymmetric 2:2:1 versus the symmetric 2:2:2 complex model. When the principal results regarding this ternary complex are analyzed as a whole and through an impartial manner, conclusion heavily and reliably supports the existence and activity of both complex models. Selection of each complex is driven by multiple factors of different degrees of impact. Specificity in protein-binding motifs in ligands (although the minimal binding sequences are yet controversial), slight differences on the structure of the GAG-binding sites of FGF and of FGFR isoforms as well as on the possible ligand-induced conformational changes of FGFR are examples of these factors. Here, the structural biology of the mitogenic FGF:FGFR:HS/Hp ternary complex is revisited. Discussion is focused on the major attributes of this intermolecular complex including the existing conflicts about the righter biologically active model and information regarding ligand structure, conformation and minimal length required for binding to the growth factors and receptors. This review is very timely in light of the 100(th) anniversary of the discovery of Hp.

  10. Exploitation of complex network topology for link prediction in biological interactomes

    KAUST Repository

    Alanis Lobato, Gregorio

    2014-06-01

    The network representation of the interactions between proteins and genes allows for a holistic perspective of the complex machinery underlying the living cell. However, the large number of interacting entities within the cell makes network construction a daunting and arduous task, prone to errors and missing information. Fortunately, the structure of biological networks is not different from that of other complex systems, such as social networks, the world-wide web or power grids, for which growth models have been proposed to better understand their structure and function. This means that we can design tools based on these models in order to exploit the topology of biological interactomes with the aim to construct more complete and reliable maps of the cell. In this work, we propose three novel and powerful approaches for the prediction of interactions in biological networks and conclude that it is possible to mine the topology of these complex system representations and produce reliable and biologically meaningful information that enriches the datasets to which we have access today.

  11. Critical evaluation of the JDO API for the persistence and portability requirements of complex biological databases

    Directory of Open Access Journals (Sweden)

    Schwieger Michael

    2005-01-01

    Full Text Available Abstract Background Complex biological database systems have become key computational tools used daily by scientists and researchers. Many of these systems must be capable of executing on multiple different hardware and software configurations and are also often made available to users via the Internet. We have used the Java Data Object (JDO persistence technology to develop the database layer of such a system known as the SigPath information management system. SigPath is an example of a complex biological database that needs to store various types of information connected by many relationships. Results Using this system as an example, we perform a critical evaluation of current JDO technology; discuss the suitability of the JDO standard to achieve portability, scalability and performance. We show that JDO supports portability of the SigPath system from a relational database backend to an object database backend and achieves acceptable scalability. To answer the performance question, we have created the SigPath JDO application benchmark that we distribute under the Gnu General Public License. This benchmark can be used as an example of using JDO technology to create a complex biological database and makes it possible for vendors and users of the technology to evaluate the performance of other JDO implementations for similar applications. Conclusions The SigPath JDO benchmark and our discussion of JDO technology in the context of biological databases will be useful to bioinformaticians who design new complex biological databases and aim to create systems that can be ported easily to a variety of database backends.

  12. Mn(II) complexes with bipyridine, phenanthroline and benzoic acid: Biological and catalase-like activity

    Indian Academy of Sciences (India)

    Ibrahim Kani; Özlem Atlier; Kiymet Güven

    2016-04-01

    Five mononuclear Mn(II) complexes, [Mn(phen)2(ClO4)2] (1), [Mn(phen)3](ClO4)2(H2CO3)2(2), [Mn(bipy)2(ClO4)2] (3), [Mn(bipy)3](ClO4)2) (4), and Mn(phen)2(ba)(H2O)](ClO4)(CH3OH) (5), where bipy = 2,2’-bipyridine, phen = 1,10-phenanthroline, and ba = benzoic acid were prepared and characterized by Xray, IR and UV-Vis spectroscopies, and their catalase-like and biological activities were studied. The presence of two different types and the number of chelating NN-donor neutral ligands allowed for analysis of their effects on the catalase and biological activities. It was observed that the presence and number of phen ligands improved the activity more than the bipy ligand. Complexes 1 and 2, which contain more basic phen ligands, disproportionate H2O2 faster than complexes 3 and 4, which contain less basic bipy ligands. The in vitro antimicrobial activities of all the complexes were also tested against seven bacterial strains by microdilution tests. All the bacterial isolates demonstrated sensitivity to the complexes and the antifungal (anticandidal) activities of the Mn(II) complexes were remarkably higher than the reference drug ketoconazole.

  13. Preparation, structural characterization and biological evaluation of L-tyrosinate metal ion complexes

    Science.gov (United States)

    Refat, Moamen S.; El-Korashy, Sabry A.; Ahmed, Ahmed S.

    2008-06-01

    The complexes formed between different metal ions and biological molecules like amino acids play an important role in human life. Sn(II), Sn(IV), Zn(II), Cd(II), Hg(II), Cr(III), Fe(III), La(III), ZrO(II) and UO 2(II) complexes are synthesized with L-tyrosine (tyr). These complexes are characterized by elemental analysis, molar conductance, magnetic measurements, mass, IR, UV-vis and 1H NMR spectra as well as thermogravimetric analysis (TGA/DTG). It has been found from the elemental analysis and the thermal studies that the ligand behaves as bidentate ligand forming chelates with 1:3 (metal:ligand) stoichiometry for trivalent metals and 1:2 for divalent and tetravalent metals. The molar conductance measurements of the complexes in DMSO indicate that the complexes are non-electrolyte. The activation energies and other kinetic parameters were calculated from the Coats-Redfern and Horowitz-Metzger equations. The biological activities of the metal complexes have also been studied against different bacteria and fungi.

  14. Revealing complex function, process and pathway interactions with high-throughput expression and biological annotation data.

    Science.gov (United States)

    Singh, Nitesh Kumar; Ernst, Mathias; Liebscher, Volkmar; Fuellen, Georg; Taher, Leila

    2016-10-20

    The biological relationships both between and within the functions, processes and pathways that operate within complex biological systems are only poorly characterized, making the interpretation of large scale gene expression datasets extremely challenging. Here, we present an approach that integrates gene expression and biological annotation data to identify and describe the interactions between biological functions, processes and pathways that govern a phenotype of interest. The product is a global, interconnected network, not of genes but of functions, processes and pathways, that represents the biological relationships within the system. We validated our approach on two high-throughput expression datasets describing organismal and organ development. Our findings are well supported by the available literature, confirming that developmental processes and apoptosis play key roles in cell differentiation. Furthermore, our results suggest that processes related to pluripotency and lineage commitment, which are known to be critical for development, interact mainly indirectly, through genes implicated in more general biological processes. Moreover, we provide evidence that supports the relevance of cell spatial organization in the developing liver for proper liver function. Our strategy can be viewed as an abstraction that is useful to interpret high-throughput data and devise further experiments.

  15. Design and control strategies for CELSS - Integrating mechanistic paradigms and biological complexities

    Science.gov (United States)

    Moore, B., III; Kaufmann, R.; Reinhold, C.

    1981-01-01

    Systems analysis and control theory consideration are given to simulations of both individual components and total systems, in order to develop a reliable control strategy for a Controlled Ecological Life Support System (CELSS) which includes complex biological components. Because of the numerous nonlinearities and tight coupling within the biological component, classical control theory may be inadequate and the statistical analysis of factorial experiments more useful. The range in control characteristics of particular species may simplify the overall task by providing an appropriate balance of stability and controllability to match species function in the overall design. The ultimate goal of this research is the coordination of biological and mechanical subsystems in order to achieve a self-supporting environment.

  16. Schiff base triphenylphosphine palladium (II) complexes: Synthesis, structural elucidation, electrochemical and biological evaluation

    Science.gov (United States)

    Shabbir, Muhammad; Akhter, Zareen; Ahmad, Iqbal; Ahmed, Safeer; Shafiq, Maryam; Mirza, Bushra; McKee, Vickie; Munawar, Khurram Shahzad; Ashraf, Ahmad Raza

    2016-08-01

    The complexes N-(2-oxidophenyl)salicylideneiminatotriphenylphosphine palladium(II) (1) and N-(2-sulfidophenyl)salicylideneiminato triphenylphosphine palladium(II) (2) of tridentate Schiff bases derived from salicylaldehyde and an amino- or thiophenol, have been synthesized and characterized by various spectroscopic, analytical and electro-analytical techniques. X-ray single crystal analysis of complex 1 has revealed its square planar geometry. The thermal analysis has shown the absence of coordinated water and final degradation product is PdO. The alkaline phosphatase studies have indicated that enzymatic activity is concentration dependent which is inversely proportional to the concentration of the compounds. The biological assays (brine shrimp cytotoxicity, DPPH) have reflected their biologically active and mild antioxidant nature. However, results of DNA protection assay have shown that they possess moderate protective activity against hydroxyl free radicals (rad OH). The voltammetric studies ascertain two-electron reduction of the compounds through purely diffusion controlled process and reveal intercalative mode of drug DNA interactions.

  17. Evaluating the biological activity of oil-polluted soils using a complex index

    Science.gov (United States)

    Kabirov, R. R.; Kireeva, N. A.; Kabirov, T. R.; Dubovik, I. Ye.; Yakupova, A. B.; Safiullina, L. M.

    2012-02-01

    A complex index characterizing the biological activity of soils (BAS) is suggested. It is based on an estimate of the level of activity of catalase; the number of heterotrophic and hydrocarbon oxidizing microorganisms, microscopic fungi, algae, and cyanobacteria; and the degree of development of higher plants and insects in the studied soil. The data on using the BAS coefficient for evaluating the efficiency of rehabilitation measures for oil-polluted soils are given. Such measures included introducing the following biological preparations: Lenoil based on a natural consortium of microorganisms Bacillus brevis and Arthrobacter sp.; the Azolen biofertilizer with complex action based on Azotobacter vinelandii; the Belvitamil biopreparation, which is the active silt of pulp and paper production; and a ready-mixed industrial association of aerobic and anaerobic microorganisms that contains hydrocarbon oxidizing microorganisms of the Arthrobacter, Bacillus, Candida, Desulfovibrio, and Pseudomonas genera.

  18. Complex systems in pulmonary medicine: a systems biology approach to lung disease.

    Science.gov (United States)

    Kaminsky, David A; Irvin, Charles G; Sterk, Peter J

    2011-06-01

    The lung is a highly complex organ that can only be understood by integrating the many aspects of its structure and function into a comprehensive view. Such a view is provided by a systems biology approach, whereby the many layers of complexity, from the molecular genetic, to the cellular, to the tissue, to the whole organ, and finally to the whole body, are synthesized into a working model of understanding. The systems biology approach therefore relies on the expertise of many disciplines, including genomics, proteomics, metabolomics, physiomics, and, ultimately, clinical medicine. The overall structure and functioning of the lung cannot be predicted from studying any one of these systems in isolation, and so this approach highlights the importance of emergence as the fundamental feature of systems biology. In this paper, we will provide an overview of a systems biology approach to lung disease by briefly reviewing the advances made at many of these levels, with special emphasis on recent work done in the realm of pulmonary physiology and the analysis of clinical phenotypes.

  19. Theory and experiment on the cuprous-cupric electron transfer rate at a copper electrode.

    Energy Technology Data Exchange (ETDEWEB)

    Halley, J. W.; Smith, B. B.; Walbran, S.; Curtiss, L. A.; Rigney, R. O.; Sutjianto, A.; Hung, N. C.; Yonco, R. M.; Nagy, Z.; Univ. of Minnesota; NREL

    1999-04-01

    We describe results of experiment and theory of the cuprous-cupric electron transfer rate in an aqueous solution at a copper electrode. The methods are similar to those we reported earlier for the ferrous-ferric rate. The comparison strongly suggests that, in marked distinction to the ferrous-ferric case, the electron transfer reaction is adiabatic. The model shows that the activation barrier is dominated by the energy required for the ion to approach the electrode, rather than by the energy required for rearrangement of the solvation shell, also in sharp distinction to the case of the ferric-ferrous electron transfer at a gold electrode. Calculated activation barriers based on this image agree with the experimental results reported here.

  20. Theory and experiment on the cuprous{endash}cupric electron transfer rate at a copper electrode

    Energy Technology Data Exchange (ETDEWEB)

    Halley, J.W. [School of Physics and Astronomy, University of Minnesota, Minneapolis, Minnesota 55455 (United States); Smith, B.B. [National Renewable Energy Laboratory, Golden, Colorado (United States); Walbran, S. [School of Physics and Astronomy, University of Minnesota, Minneapolis, Minnesota 55455 (United States); Curtiss, L.A.; Rigney, R.O.; Sutjianto, A.; Hung, N.C.; Yonco, R.M.; Nagy, Z. [Argonne National Laboratory, Divisions of Materials Science, Chemistry and Chemical Technology, Argonne, Illinois 60439-4837 (United States)

    1999-04-01

    We describe results of experiment and theory of the cuprous{endash}cupric electron transfer rate in an aqueous solution at a copper electrode. The methods are similar to those we reported earlier for the ferrous{endash}ferric rate. The comparison strongly suggests that, in marked distinction to the ferrous{endash}ferric case, the electron transfer reaction is adiabatic. The model shows that the activation barrier is dominated by the energy required for the ion to approach the electrode, rather than by the energy required for rearrangement of the solvation shell, also in sharp distinction to the case of the ferric{endash}ferrous electron transfer at a gold electrode. Calculated activation barriers based on this image agree with the experimental results reported here. {copyright} {ital 1999 American Institute of Physics.}

  1. High-temperature electromagnons in the magnetically induced multiferroic cupric oxide driven by intersublattice exchange.

    Science.gov (United States)

    Jones, S P P; Gaw, S M; Doig, K I; Prabhakaran, D; Hétroy Wheeler, E M; Boothroyd, A T; Lloyd-Hughes, J

    2014-04-29

    Magnetically induced ferroelectric multiferroics present an exciting new paradigm in the design of multifunctional materials, by intimately coupling magnetic and polar order. Magnetoelectricity creates a novel quasiparticle excitation--the electromagnon--at terahertz frequencies, with spectral signatures that unveil important spin interactions. To date, electromagnons have been discovered at low temperature (domain spectroscopy that intersublattice exchange in the improper multiferroic cupric oxide (CuO) creates electromagnons at substantially elevated temperatures (213-230 K). Dynamic magnetoelectric coupling can therefore be achieved in materials, such as CuO, that exhibit minimal static cross-coupling. The electromagnon strength and energy track the static polarization, highlighting the importance of the underlying cycloidal spin structure. Polarized neutron scattering and terahertz spectroscopy identify a magnon in the antiferromagnetic ground state, with a temperature dependence that suggests a significant role for biquadratic exchange.

  2. Synthesis, characterization, and biological activity of a new palladium(II) complex with deoxyalliin

    Energy Technology Data Exchange (ETDEWEB)

    Corbi, P.P.; Massabni, A.C. [Inst. de Quimica - UNESP, Dept., Dept. de Quimica Geral e Inoganica, Araraquara (Brazil)]. E-mail: pedrocorbi@yahoo.com; Moreira, A.G. [Inst. de Quimica - UNESP, Dept. de Quimica Geral e Inoganica, Araraquara (Brazil); Faculdade de Medicina de Ribeirao Preto - USP, Dept. de Bioquimica e Imunologia, Ribeirao Preto (Brazil); Medrano, F.J. [Laboratorio Nacional de Luz Sincrotron - LNLS, Campinas (Brazil); Jasiulionis, M.G. [Escola Paulista de Medicina - UNIFESP, Dept. de Micro-Imuno-Parasitologia, Sao Paulo (Brazil); Costa-Neto, C.M. [Faculdade de Medicina de Ribeirao Preto - USP, Dept. de Bioquimica e Imunologia, Ribeirao Preto (Brazil)

    2005-02-15

    Synthesis, characterization, and biological activity of a new water-soluble Pd(II)-deoxyalliin (S-allyl-L-cysteine) complex are described in this article. Elemental and thermal analysis for the complex are consistent with the formula [Pd(C{sub 6}H{sub 10}NO{sub 2}S){sub 2}]. {sup 13}C NMR, {sup 1}H NMR, and IR spectroscopy show coordination of the ligand to Pd(II) through S and N atoms in a square planar geometry. Final residue of the thermal treatment was identified as a mixture of PdO and metallic Pd. Antiproliferative assays using aqueous solutions of the complex against HeLa and TM5 tumor cells showed a pronounced activity of the complex even at low concentrations. After incubation for 24 h, the complex induced cytotoxic effect over HeLa cells when used at concentrations higher than 0.40 mmol/L. At lower concentrations, the complex was nontoxic, indicating its action is probably due to cell cycle arrest, rather than cell death. In agreement with these results, the flow cytometric analysis indicated that after incubation for 24 h at low concentrations of the complex cells are arrested in G0/G1. (author)

  3. Biological Recovery of Platinum Complexes from Diluted Aqueous Streams by Axenic Cultures

    Science.gov (United States)

    Maes, Synthia; Props, Ruben; Fitts, Jeffrey P.; De Smet, Rebecca; Vanhaecke, Frank; Boon, Nico; Hennebel, Tom

    2017-01-01

    The widespread use of platinum in high-tech and catalytic applications has led to the production of diverse Pt loaded wastewaters. Effective recovery strategies are needed for the treatment of low concentrated waste streams to prevent pollution and to stimulate recovery of this precious resource. The biological recovery of five common environmental Pt-complexes was studied under acidic conditions; the chloro-complexes PtCl42- and PtCl62-, the amine-complex Pt(NH3)4Cl2 and the pharmaceutical complexes cisplatin and carboplatin. Five bacterial species were screened on their platinum recovery potential; the Gram-negative species Shewanella oneidensis MR-1, Cupriavidus metallidurans CH34, Geobacter metallireducens, and Pseudomonas stutzeri, and the Gram-positive species Bacillus toyonensis. Overall, PtCl42- and PtCl62- were completely recovered by all bacterial species while only S. oneidensis and C. metallidurans were able to recover cisplatin quantitatively (99%), all in the presence of H2 as electron donor at pH 2. Carboplatin was only partly recovered (max. 25% at pH 7), whereas no recovery was observed in the case of the Pt-tetraamine complex. Transmission electron microscopy (TEM) revealed the presence of both intra- and extracellular platinum particles. Flow cytometry based microbial viability assessment demonstrated the decrease in number of intact bacterial cells during platinum reduction and indicated C. metallidurans to be the most resistant species. This study showed the effective and complete biological recovery of three common Pt-complexes, and estimated the fate and transport of the Pt-complexes in wastewater treatment plants and the natural environment. PMID:28046131

  4. Functional Genomics Assistant (FUGA: a toolbox for the analysis of complex biological networks

    Directory of Open Access Journals (Sweden)

    Ouzounis Christos A

    2011-10-01

    Full Text Available Abstract Background Cellular constituents such as proteins, DNA, and RNA form a complex web of interactions that regulate biochemical homeostasis and determine the dynamic cellular response to external stimuli. It follows that detailed understanding of these patterns is critical for the assessment of fundamental processes in cell biology and pathology. Representation and analysis of cellular constituents through network principles is a promising and popular analytical avenue towards a deeper understanding of molecular mechanisms in a system-wide context. Findings We present Functional Genomics Assistant (FUGA - an extensible and portable MATLAB toolbox for the inference of biological relationships, graph topology analysis, random network simulation, network clustering, and functional enrichment statistics. In contrast to conventional differential expression analysis of individual genes, FUGA offers a framework for the study of system-wide properties of biological networks and highlights putative molecular targets using concepts of systems biology. Conclusion FUGA offers a simple and customizable framework for network analysis in a variety of systems biology applications. It is freely available for individual or academic use at http://code.google.com/p/fuga.

  5. Biologic Therapies: From Complexity to Clinical Practice in a Changing Environment

    Directory of Open Access Journals (Sweden)

    Remo Panaccione

    2015-12-01

    Full Text Available This symposium provided an opportunity for global experts to discuss the challenges posed by the introduction of biosimilars. The impact of the manufacturing process on clinical outcomes, maintaining treatment responses over the long term, and issues surrounding patient management in a changing environment were addressed. The symposium was opened by Prof Panaccione describing the evolution of inflammatory bowel disease (IBD treatment in the last 20 years and how biologics have improved outcomes. Prof D’Haens provided an explanation of the complexity surrounding biologic drug development and the hurdles facing drug manufacturers when ensuring high quality and consistently performing products over time. Prof Panaccione discussed the clinical challenges in balancing the transition from induction to maintenance therapy in order to provide a clinically relevant and sustained response to therapy. He also discussed the evidence for long-term outcomes with adalimumab for IBD. Prof Feagan highlighted the issues faced by clinicians treating patients with biologics, including the ability to switch between biologics without loss of efficacy or impact on safety, and the need to consider interchangeability between biologic therapies and the potential risk and impact of immunogenicity.

  6. Phytochemical profile and ABTS cation radical scavenging, cupric reducing antioxidant capacity and anticholinesterase activities of endemic Ballota nigra L. subsp. anatolica P.H. Davis from Turkey

    Institute of Scientific and Technical Information of China (English)

    Abdulselam Erta; Mehmet Boa; Yeter Yeil

    2014-01-01

    Objective: To evaluate the chemical compositions and biological activities of an endemic Ballotanigra Methods: Essential oil and fatty acid composition were determined by GC/MS analysis. ABTS cation radical decolourisation and cupric reducing antioxidant capacity assays were carried out to indicate the antioxidant activity. The anticholinesterase potential of the extracts were determined by Ellman method. L. subsp. anatolica P.H. Davis. Results: The major compounds in the fatty acid composition of the petroleum ether extract were identified as palmitic (36.0%) and linoleic acids (14.3%). The major components of essential oil were 1-hexacosanol (26.7%), germacrene-D (9.3%) and caryophyllene oxide (9.3%). The water extract indicated higher ABTS cation radical scavenging activity than α-tocopherol and BHT, at 100 µg/mL. The acetone extract showed 71.58 and 44.71% inhibitory activity against butyrylcholinesterase and acetylcholinesterase enzyme at 200 µg/mL, respectively. Conclusions: The water and acetone extracts of Ballota nigra subsp. anatolica can be investigated in terms of both phytochemical and biological aspects to find natural active compounds.

  7. Cupric and cuprous oxide by reactive ion beam sputter deposition and the photosensing properties of cupric oxide metal–semiconductor–metal Schottky photodiodes

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Min-Jyun; Lin, Yong-Chen; Chao, Liang-Chiun, E-mail: lcchao@mail.ntust.edu.tw; Lin, Pao-Hung; Huang, Bohr-Ran

    2015-08-15

    Highlights: • CuO and Cu{sub 2}O were deposited by reactive ion beam sputter deposition. • Single phase CuO thin film is obtained with Ar:O{sub 2} = 2:1. • CuO MSM PD shows photoresponse from 400 nm to 1.30 μm. • CuO MSM PD is RC limited with a decay time less than 1 μs. - Abstract: Cupric (CuO) and cuprous (Cu{sub 2}O) oxide thin films have been deposited by reactive ion beam sputter deposition at 400 °C with an Ar:O{sub 2} ratio from 2:1 to 12:1. With an Ar:O{sub 2} ratio of 2:1, single phase polycrystalline CuO thin films were obtained. Decreasing oxygen flow rate results in CuO + Cu{sub 2}O and Cu{sub 2}O + Cu mixed thin films. As Ar:O{sub 2} ratio reaches 12:1, Cu{sub 2}O nanorods with diameter of 250 nm and length longer than 1 μm were found across the sample. Single phase CuO thin film exhibits an indirect band gap of 1.3 eV with a smooth surface morphology. CuO metal–semiconductor–metal (MSM) Schottky photodiodes (PD) were fabricated by depositing Cu interdigitated electrodes on CuO thin films. Photosensing properties of the CuO PD were characterized from 350 to 1300 nm and a maximum responsivity of 43 mA/W was found at λ = 700 nm. The MSM PD is RC limited with a decay time constant less than 1 μs.

  8. Developing mononuclear copper-active-oxygen complexes relevant to reactive intermediates of biological oxidation reactions.

    Science.gov (United States)

    Itoh, Shinobu

    2015-07-21

    Active-oxygen species generated on a copper complex play vital roles in several biological and chemical oxidation reactions. Recent attention has been focused on the reactive intermediates generated at the mononuclear copper active sites of copper monooxygenases such as dopamine β-monooxygenase (DβM), tyramine β-monooxygenase (TβM), peptidylglycine-α-hydroxylating monooxygenase (PHM), and polysaccharide monooxygenases (PMO). In a simple model system, reaction of O2 and a reduced copper(I) complex affords a mononuclear copper(II)-superoxide complex or a copper(III)-peroxide complex, and subsequent H(•) or e(-)/H(+) transfer, which gives a copper(II)-hydroperoxide complex. A more reactive species such as a copper(II)-oxyl radical type species could be generated via O-O bond cleavage of the peroxide complex. However, little had been explored about the chemical properties and reactivity of the mononuclear copper-active-oxygen complexes due to the lack of appropriate model compounds. Thus, a great deal of effort has recently been made to develop efficient ligands that can stabilize such reactive active-oxygen complexes in synthetic modeling studies. In this Account, I describe our recent achievements of the development of a mononuclear copper(II)-(end-on)superoxide complex using a simple tridentate ligand consisting of an eight-membered cyclic diamine with a pyridylethyl donor group. The superoxide complex exhibits a similar structure (four-coordinate tetrahedral geometry) and reactivity (aliphatic hydroxylation) to those of a proposed reactive intermediate of copper monooxygenases. Systematic studies based on the crystal structures of copper(I) and copper(II) complexes of the related tridentate supporting ligands have indicated that the rigid eight-membered cyclic diamine framework is crucial for controlling the geometry and the redox potential, which are prerequisites for the generation of such a unique mononuclear copper(II)-(end-on)superoxide complex

  9. Synthesis, Characterization and Biological Evaluation of Transition Metal Complexes Derived from N, S Bidentate Ligands

    Directory of Open Access Journals (Sweden)

    Enis Nadia Md Yusof

    2015-05-01

    Full Text Available Two bidentate NS ligands were synthesized by the condensation reaction of S-2-methylbenzyldithiocarbazate (S2MBDTC with 2-methoxybenzaldehyde (2MB and 3-methoxybenzaldehyde (3MB. The ligands were reacted separately with acetates of Cu(II, Ni(II and Zn(II yielding 1:2 (metal:ligand complexes. The metal complexes formed were expected to have a general formula of [M(NS2] where M = Cu2+, Ni2+, and Zn2+. These compounds were characterized by elemental analysis, molar conductivity, magnetic susceptibility and various spectroscopic techniques. The magnetic susceptibility measurements and spectral results supported the predicted coordination geometry in which the Schiff bases behaved as bidentate NS donor ligands coordinating via the azomethine nitrogen and thiolate sulfur. The molecular structures of the isomeric S2M2MBH (1 and S2M3MBH (2 were established by X-ray crystallography to have very similar l-shaped structures. The Schiff bases and their metal complexes were evaluated for their biological activities against estrogen receptor-positive (MCF-7 and estrogen receptor-negative (MDA-MB-231 breast cancer cell lines. Only the Cu(II complexes showed marked cytotoxicity against the cancer cell lines. Both Schiff bases and other metal complexes were found to be inactive. In concordance with the cytotoxicity studies, the DNA binding studies indicated that Cu(II complexes have a strong DNA binding affinity.

  10. Relative biological effectiveness for photons: implication of complex DNA double-strand breaks as critical lesions

    Science.gov (United States)

    Liang, Ying; Fu, Qibin; Wang, Xudong; Liu, Feng; Yang, Gen; Luo, Chunxiong; Ouyang, Qi; Wang, Yugang

    2017-03-01

    Current knowledge in radiobiology ascribes the adverse biological effects of ionizing radiation primarily to the induction of DNA double-strand breaks (DSBs), which is supposed to be potentially lethal and may be converted to lethal damage due to misrepair. Soft and ultrasoft x-rays have been found to bear elevated biological effectiveness for cell killing compared with conventional x-rays or 60Co γ-rays. This phenomenon is qualitatively interpreted as the increased level of DSB induction for low energy photons, however, a thorough quantitative reasoning is lacking. Here, we systematically compared the relative biological effectiveness (RBE) with relative DSB induction for photons from several hundreds of eV up to MeV. Although there is an approximate two-fold increase in the yields of DSB for low energy photons found in our calculation and a large number of experimental measurements, it is far from enough to account for the three- to four-fold increase in RBE. Further theoretical investigations show that DSB complexity (additional single-strand breaks and base damage within 10 base pairs) increases notably for low energy photons, which largely reconciles the discrepancy between RBE and DSB induction. Our theoretical results are in line with accumulating experimental evidence that complex DSBs are refractory to repair machinery and may contribute predominantly to the formation of lethal damage.

  11. Biological significance of complex N-glycans in plants and their impact on plant physiology

    Directory of Open Access Journals (Sweden)

    Richard eStrasser

    2014-07-01

    Full Text Available Asparagine (N-linked protein glycosylation is a ubiquitous co- and post-translational modification which can alter the biological function of proteins and consequently affects the development, growth and physiology of organisms. Despite an increasing knowledge of N-glycan biosynthesis and processing, we still understand very little about the biological function of individual N-glycan structures in plants. In particular, the N-glycan processing steps mediated by Golgi-resident enzymes create a structurally diverse set of protein-linked carbohydrate structures. Some of these complex N-glycan modifications like the presence of beta1,2-xylose, core alpha1,3-fucose or the Lewis a-epitope are characteristic for plants and are evolutionary highly conserved. In mammals, complex N-glycans are involved in different cellular processes including molecular recognition and signalling events. By contrast, the complex N-glycan function is still largely unknown in plants. Here, in this short review I focus on important recent developments and discuss their implications for future research in plant glycobiology and plant biotechnology.

  12. Bio serves nano: biological light-harvesting complex as energy donor for semiconductor quantum dots.

    Science.gov (United States)

    Werwie, Mara; Xu, Xiangxing; Haase, Mathias; Basché, Thomas; Paulsen, Harald

    2012-04-03

    Light-harvesting complex (LHCII) of the photosynthetic apparatus in plants is attached to type-II core-shell CdTe/CdSe/ZnS nanocrystals (quantum dots, QD) exhibiting an absorption band at 710 nm and carrying a dihydrolipoic acid coating for water solubility. LHCII stays functional upon binding to the QD surface and enhances the light utilization of the QDs significantly, similar to its light-harvesting function in photosynthesis. Electronic excitation energy transfer of about 50% efficiency is shown by donor (LHCII) fluorescence quenching as well as sensitized acceptor (QD) emission and corroborated by time-resolved fluorescence measurements. The energy transfer efficiency is commensurable with the expected efficiency calculated according to Förster theory on the basis of the estimated donor-acceptor separation. Light harvesting is particularly efficient in the red spectral domain where QD absorption is relatively low. Excitation over the entire visible spectrum is further improved by complementing the biological pigments in LHCII with a dye attached to the apoprotein; the dye has been chosen to absorb in the "green gap" of the LHCII absorption spectrum and transfers its excitation energy ultimately to QD. This is the first report of a biological light-harvesting complex serving an inorganic semiconductor nanocrystal. Due to the charge separation between the core and the shell in type-II QDs the presented LHCII-QD hybrid complexes are potentially interesting for sensitized charge-transfer and photovoltaic applications.

  13. Unraveling the pathogenesis of Hoyeraal-Hreidarsson syndrome, a complex telomere biology disorder.

    Science.gov (United States)

    Glousker, Galina; Touzot, Fabien; Revy, Patrick; Tzfati, Yehuda; Savage, Sharon A

    2015-08-01

    Hoyeraal-Hreidarsson (HH) syndrome is a multisystem genetic disorder characterized by very short telomeres and considered a clinically severe variant of dyskeratosis congenita. The main cause of mortality, usually in early childhood, is bone marrow failure. Mutations in several telomere biology genes have been reported to cause HH in about 60% of the HH patients, but the genetic defects in the rest of the patients are still unknown. Understanding the aetiology of HH and its diverse manifestations is challenging because of the complexity of telomere biology and the multiple telomeric and non-telomeric functions played by telomere-associated proteins in processes such as telomere replication, telomere protection, DNA damage response and ribosome and spliceosome assembly. Here we review the known clinical complications, molecular defects and germline mutations associated with HH, and elucidate possible mechanistic explanations and remaining questions in our understanding of the disease.

  14. Synthesis, Spectroscopic Characterization and Biological Activities of Transition Metal Complexes Derived from a Tridentate Schiff Base

    Directory of Open Access Journals (Sweden)

    J. Senthil Kumaran

    2013-01-01

    Full Text Available A new series of Cu (II, Ni (II, Co (II and Zn (II complexes have been synthesized from the Schiff base derived from 4-hydroxy-3-methoxybenzylidine-4-aminoantipyrine and 2-aminophenol. The structural features have been determined from their elemental analysis, magnetic susceptibility, molar conductance, Mass, IR, UV-Vis, 1H-NMR, 13C-NMR and ESR spectral studies. The redox behavior of the copper complex has been studied by cyclic voltammetry. The data confirm that the complexes have composition of ML2 type. The electronic absorption spectral data of the complexes propose an octahedral geometry around the central metal ion. All the metal complexes with DNA structure were guided by the presence of inter-molecular C–H⋯O and C–H⋯N hydrogen bonds. The biological activity of the synthesized compounds were tested against the bacterial species such as Bacillus subtilis, Staphylococcus aureus, Proteus vulgaris and fungal species such as Candida albicans by the well-diffusion method.

  15. Current progress in the biology of members of the Sporothrix schenckii complex following the genomic era.

    Science.gov (United States)

    Mora-Montes, Héctor M; Dantas, Alessandra da Silva; Trujillo-Esquivel, Elías; de Souza Baptista, Andrea R; Lopes-Bezerra, Leila M

    2015-09-01

    Sporotrichosis has been attributed for more than a century to one single etiological agent, Sporothrix schencki. Only eight years ago, it was described that, in fact, the disease is caused by several pathogenic cryptic species. The present review will focus on recent advances to understand the biology and virulence of epidemiologically relevant pathogenic species of the S. schenckii complex. The main subjects covered are the new clinical and epidemiological aspects including diagnostic and therapeutic challenges, the development of molecular tools, the genome database and the perspectives for study of virulence of emerging Sporothrix species.

  16. Mueller matrix polarimetry for the characterization of complex random medium like biological tissues

    Indian Academy of Sciences (India)

    Nirmalya Ghosh; Jalpa Soni; M F G Wood; M A Wallenberg; I A Vitkin

    2010-12-01

    The polarization parameters of light scattered from biological tissues contain wealth of morphological and functional information of potential biomedical importance. But, in optically thick turbid media such as tissues, numerous complexities due to multiple scattering and simultaneous occurrences of many polarization events present formidable challenges, in terms of both accurate measurement and unique interpretation of the individual polarimetry characteristics. We have developed and validated an expanded Mueller matrix decomposition approach to overcome this problem. The approach was validated theoretically with a polarization-sensitive Monte Carlo light propagation model and experimentally by recording Mueller matrices from tissue-like complex random medium. In this paper, we discuss our comprehensive turbid polarimetry platform consisting of the experimental polarimetry system, forward Monte Carlo modelling and inverse polar decomposition analysis. Initial biomedical applications of this novel general method for polarimetry analysis in random media are also presented.

  17. In vitro release of cupric ion from intrauterine devices: influence of frame, shape, copper surface area and indomethacin.

    Science.gov (United States)

    Zhang, Shuangshuang; Li, Ying; Yu, Panpan; Chen, Tong; Zhou, Weisai; Zhang, Wenli; Liu, Jianping

    2015-02-01

    The release of cupric ion from copper intrauterine device (Cu-IUD) in human uterus is essential for contraception. However, excessive cupric ion will cause cytotoxic effect. In this paper, we investigated the influence of device characteristics (frame, copper surface area, shape, copper type and indomethacin) on copper release for the efficacy and adverse effects vary with IUD types which may correlate to their different release behaviors. Nine types of Cu-IUDs were selected and incubated in simulated uterine fluid. They were paired for comparison based on the device properties and the release of cupric ion was determined by flame atomic absorption spectrometer for about 160 days. The result showed that there was a burst release during the first month and the release rate tends to slow down and become steady afterwards. In addition, the copper release was mainly influenced by frame, indomethacin and copper type (copper wire and copper sleeve) while the shape variation had little effect on copper release throughout the experiment. Moreover, the influence of copper surface area was only noticeable during the first month. These findings were seldom reported before and may provide some useful information for the design of Cu-IUDs.

  18. Comparative toxicity and biodistribution of copper nanoparticles and cupric ions in rats

    Directory of Open Access Journals (Sweden)

    Lee IC

    2016-06-01

    Full Text Available In-Chul Lee,1 Je-Won Ko,1 Sung-Hyeuk Park,1 Je-Oh Lim,1 In-Sik Shin,1 Changjong Moon,1 Sung-Hwan Kim,2 Jeong-Doo Heo,3 Jong-Choon Kim1 1College of Veterinary Medicine BK21 Plus Project Team, Chonnam National University, Gwangju, 2Jeonbuk Department of Inhalation Research, Korea Institute of Toxicology, Jeongeup, 3Gyeongnam Department of Environment and Toxicology, Korea Institute of Toxicology, Gyeongnam, Republic of Korea Abstract: Despite widespread use and prospective biomedical applications of copper nanoparticles (Cu NPs, their biosafety issues and kinetics remain unclear. Thus, the aim of this study was to compare the detailed in vivo toxicity of Cu NPs and cupric ions (CuCl2; Cu ions after a single oral dose. We determined the physicochemical characteristics of Cu NPs, including morphology, hydrodynamic size, zeta potential, and dissolution in gastric (pH 1.5, vehicle (pH 6.5, and intestinal (pH 7.8 conditions. We also evaluated the kinetics of Cu following a single equivalent dose (500 mg/kg of Cu NPs and Cu ions. Cu NPs had highest dissolution (84.5% only in gastric conditions when compared with complete dissolution of Cu ions under various physiological milieus. Kinetic analysis revealed that highest Cu levels in blood and tested organs of Cu NP-treated rats were 15%–25% lower than that of Cu ions. Similar to the case of Cu ions, Cu levels in the tested organs (especially liver, kidney, and spleen of Cu NP-treated rats increased significantly when compared with the vehicle control. However, delay in reaching the highest level and biopersistence of Cu were observed in the blood and tested organs of Cu NP-treated rats compared with Cu ions. Extremely high levels of Cu in feces indicated that unabsorbed Cu NPs or absorbed Cu ions were predominantly eliminated through liver/feces. Cu NPs exerted apparent toxicological effects at higher dose levels compared with Cu ions and showed sex-dependent differences in mortality, biochemistry, and

  19. Systematic metabolite annotation and identification in complex biological extracts : combining robust mass spectrometry fragmentation and nuclear magnetic resonance spectroscopy

    NARCIS (Netherlands)

    Hooft, van der J.J.J.

    2012-01-01

    Detailed knowledge of the chemical content of organisms, organs, tissues, and cells is needed to fully characterize complex biological systems. The high chemical variety of compounds present in biological systems is illustrated by the presence of a large variety of compounds, ranging from apolar lip

  20. New neutral and lipophilic technetium complexes based on a cytectrene moiety. Synthesis, characterization and biological evaluation

    Energy Technology Data Exchange (ETDEWEB)

    El Aissi, Radhia [National Centre of Sciences and Nuclear Technology, Sidi Thabet (Tunisia). Radiopharmaceutical Unit; CNRS, Laboratoire de Synthese et Physico-Chimie de Molecules d' Interet Biologique, SPCMIB, UMR 5068, Toulouse (France); Toulouse Univ., UPS, Laboratoire de Synthese et Physico-Chimie de Molecules d' Interet Biologique, SPCMIB, UMR 5068, Toulouse (France); Malek-Saied, Nadia; Saidi, Mouldi [National Centre of Sciences and Nuclear Technology, Sidi Thabet (Tunisia). Radiopharmaceutical Unit; Mallet-Ladeira, Sonia [Toulouse Univ., UPS et CNRS, FR2599 (France). Inst. de Chimie de Toulouse; Coulais, Yvon [Toulouse Univ. (France). Lab. ' ' Traceurs et traitement de l' image' ' ; Benoist, Eric [CNRS, Laboratoire de Synthese et Physico-Chimie de Molecules d' Interet Biologique, SPCMIB, UMR 5068, Toulouse (France); Toulouse Univ., UPS, Laboratoire de Synthese et Physico-Chimie de Molecules d' Interet Biologique, SPCMIB, UMR 5068, Toulouse (France)

    2015-05-01

    The synthesis, characterization and biological evaluation of five neutral and lipophilic {sup 99m}Tc-complexes, so-called cytectrenes, obtained from N-substitutedferrocenecarboxamide derivatives are reported. N-substituted ferrocenecarboxamide starting materials were obtained in two steps, with good yield and were fully characterized by classical spectroscopic methods including X-ray diffraction analysis for one of them. Using a microwave strategy for the {sup 99m}Tc-radiolabelling step, each cytectrene were obtained quickly (radiolabelling time < 5 min), from modest to good yield. The {sup 99m}Tc-complexes, characterized by HPLC comparison with cold rhenium complex analogues, are stable, neutral and lipophilic (logP{sub o/w} ranged between 1.8 and 2.9). Unfortunately, despite such suitable features, in vivo studies of two of them gave poor results, in terms of brain uptake. Both radiocompounds exhibited the maximum brain accumulation of 0.31% ID/g and 0.26% ID/g at 5 min post-injection, respectively, followed by a very fast washout from the brain (0.06% ID/g and 0.07% ID/g at 30 min post-injection, respectively). Although our ligand systems exhibited high stability against exchange reactions with blood proteins, the high radioactivity level in stomach, increasing with time, suggests in vivo decomposition of our complex to pertechnetate.

  1. Design, spectral characterization and biological studies of transition metal(II) complexes with triazole Schiff bases.

    Science.gov (United States)

    Hanif, Muhammad; Chohan, Zahid H

    2013-03-01

    A new series of three biologically active triazole derived Schiff base ligands L(1)-L(3) have been synthesized in equimolar reaction of 3-amino-1H-1,2,4-triazole with pyrrol-2-carboxaldehyde, 4-bromo-thiophene-2-carboxaldehyde, and 5-iodo-2-hydroxy benzaldehyde. The prepared Schiff bases were used for further complex formation reaction with different metal elements like Co(II), Ni(II), Cu(II) and Zn(II) as chlorides by using a molar ratio of ligand:metal as 2:1. The structure and bonding nature of all the compounds were identified by their physical, spectral and analytical data. All the metal(II) complexes possessed an octahedral geometry except the Cu(II) complexes which showed a distorted octahedral geometry. All the synthesized compounds, were studied for their in vitro antibacterial, and antifungal activities, against four Gram-negative (Escherichia coli, Shigella sonnei, Pseudomonas aeruginosa and Salmonella typhi) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and against six fungal strains (Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani and Candida glabrata) by using agar-well diffusion method. It has been shown that all the synthesized compounds showed moderate to significant antibacterial activity against one or more bacterial strains. In vitro Brine Shrimp bioassay was also carried out to investigate the cytotoxic properties of these compounds. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination.

  2. Biological properties of novel ruthenium- and osmium-nitrosyl complexes with azole heterocycles

    KAUST Repository

    Novak, Maria S.

    2016-03-09

    Since the discovery that nitric oxide (NO) is a physiologically relevant molecule, there has been great interest in the use of metal nitrosyl compounds as antitumor pharmaceuticals. Particularly interesting are those complexes which can deliver NO to biological targets. Ruthenium- and osmium-based compounds offer lower toxicity compared to other metals and show different mechanisms of action as well as different spectra of activity compared to platinum-based drugs. Novel ruthenium- and osmium-nitrosyl complexes with azole heterocycles were studied to elucidate their cytotoxicity and possible interactions with DNA. Apoptosis induction, changes of mitochondrial transmembrane potential and possible formation of reactive oxygen species were investigated as indicators of NO-mediated damage by flow cytometry. Results suggest that ruthenium- and osmium-nitrosyl complexes with the general formula (indazolium)[cis/trans-MCl4(NO)(1H-indazole)] have pronounced cytotoxic potency in cancer cell lines. Especially the more potent ruthenium complexes strongly induce apoptosis associated with depolarization of mitochondrial membranes, and elevated reactive oxygen species levels. Furthermore, a slight yet not unequivocal trend to accumulation of intracellular cyclic guanosine monophosphate attributable to NO-mediated effects was observed.

  3. Design, spectral characterization and biological studies of transition metal(II) complexes with triazole Schiff bases

    Science.gov (United States)

    Hanif, Muhammad; Chohan, Zahid H.

    2013-03-01

    A new series of three biologically active triazole derived Schiff base ligands L1-L3 have been synthesized in equimolar reaction of 3-amino-1H-1,2,4-triazole with pyrrol-2-carboxaldehyde, 4-bromo-thiophene-2-carboxaldehyde, and 5-iodo-2-hydroxy benzaldehyde. The prepared Schiff bases were used for further complex formation reaction with different metal elements like Co(II), Ni(II), Cu(II) and Zn(II) as chlorides by using a molar ratio of ligand:metal as 2:1. The structure and bonding nature of all the compounds were identified by their physical, spectral and analytical data. All the metal(II) complexes possessed an octahedral geometry except the Cu(II) complexes which showed a distorted octahedral geometry. All the synthesized compounds, were studied for their in vitro antibacterial, and antifungal activities, against four Gram-negative (Escherichia coli, Shigella sonnei, Pseudomonas aeruginosa and Salmonella typhi) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and against six fungal strains (Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani and Candida glabrata) by using agar-well diffusion method. It has been shown that all the synthesized compounds showed moderate to significant antibacterial activity against one or more bacterial strains. In vitro Brine Shrimp bioassay was also carried out to investigate the cytotoxic properties of these compounds. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination.

  4. Spectroscopic studies and biological activity of some transition metal complexes of unusual Schiff base

    Science.gov (United States)

    Abu Al-Nasr, Ahmad K.; Ramadan, Ramadan M.

    2013-03-01

    Unusual Schiff base ligand, 4-ethanimidoyl-6-[(1E)-N-(2-hydroxy-4-methylphenyl)ethanimidoyl]benzene-1,3-diol, L, was synthesized via catalytic process involving the interaction of some metal ions with a macrocyclic Schiff base (MSB). The transition metal derivatives [ML(H2O)4](NO3)3, M = Cr(III) and Fe(III), [NiL(H2O)4](NO3)2, [ML(H2O)2](NO3)2, M = Zn(II) and Cd(II), [Cl2Pd(μ-Cl)2PdL], [PtL(Cl)2] and [PtL(Cl)4] were also synthesized from the corresponding metal species with L. The Schiff bases and complexes were characterized by elemental analysis, mass spectrometry, IR and 1H NMR spectroscopy. The crystal structure of L was determined by X-ray analysis. The spectroscopic studies revealed a variety of structure arrangements for the complexes. The biological activities of L and metal complexes against the Escherchia coli as Gram-negative bacteria and Staphylococcus aureus as Gram-positive bacteria, and the two fungus Aspergillus flavus and Candida albicans were screened. The cytotoxicity of [PtL(Cl)2] complex, a cis-platin analogous, was checked as an antitumor agent on two breast cancer cell lines (MCF7 and T47D) and human liver carcinoma cell line (HepG2).

  5. Understanding the role of ETS-mediated gene regulation in complex biological processes.

    Science.gov (United States)

    Findlay, Victoria J; LaRue, Amanda C; Turner, David P; Watson, Patricia M; Watson, Dennis K

    2013-01-01

    Ets factors are members of one of the largest families of evolutionarily conserved transcription factors, regulating critical functions in normal cell homeostasis, which when perturbed contribute to tumor progression. The well-documented alterations in ETS factor expression and function during cancer progression result in pleiotropic effects manifested by the downstream effect on their target genes. Multiple ETS factors bind to the same regulatory sites present on target genes, suggesting redundant or competitive functions. The anti- and prometastatic signatures obtained by examining specific ETS regulatory networks will significantly improve our ability to accurately predict tumor progression and advance our understanding of gene regulation in cancer. Coordination of multiple ETS gene functions also mediates interactions between tumor and stromal cells and thus contributes to the cancer phenotype. As such, these new insights may provide a novel view of the ETS gene family as well as a focal point for studying the complex biological control involved in tumor progression. One of the goals of molecular biology is to elucidate the mechanisms that contribute to the development and progression of cancer. Such an understanding of the molecular basis of cancer will provide new possibilities for: (1) earlier detection, as well as better diagnosis and staging of disease; (2) detection of minimal residual disease recurrences and evaluation of response to therapy; (3) prevention; and (4) novel treatment strategies. Increased understanding of ETS-regulated biological pathways will directly impact these areas.

  6. The complex biology and contribution of Staphylococcus aureus in atopic dermatitis, current and future therapies.

    Science.gov (United States)

    Hepburn, L; Hijnen, D J; Sellman, B R; Mustelin, T; Sleeman, M A; May, R D; Strickland, I

    2016-10-25

    Atopic dermatitis (AD) is a complex, chronic inflammatory skin disorder affecting more than 10% of UK children and is a major cause of occupation-related disability. A subset of patients, particularly those with severe AD, are persistently colonised with Staphylococcus aureus (S. aureus) and exacerbation of disease is commonly associated with this bacterium by virtue of increased inflammation and allergic sensitisation, aggravated by skin barrier defects. Understanding the complex biology of S. aureus is an important factor when developing new drugs to combat infection. S. aureus generates exoproteins that enable invasion and dissemination within the host skin but can also damage the skin and activate the host immune system. Antibiotics are often used by dermatologists to aid clearance of S. aureus; however, these are becoming less effective and chronic usage discouraged with the emergence of multiple antibiotic-resistant strains. New ways to target S. aureus using monoclonal antibodies and vaccines are now being developed. This review will attempt to evaluate the key biology of S. aureus, current treatment of S. aureus infections in atopic dermatitis and recent advances in developing new anti-S. aureus therapies that have potential in severe AD. This article is protected by copyright. All rights reserved.

  7. Y-12 National Security Complex Biological Monitoring and Abatement Program 2007 Calendar Yeare Report

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, M.J.; Greeley, M. S. Jr.; Morris, G. W.; Roy, W. K.; Ryan, M. G.; Smith, J. G.; Southworth, G. R.

    2008-07-01

    The National Pollutant Discharge Elimination System (NPDES) permit issued for the Oak Ridge Y-12 National Security Complex (Y-12 Complex) which became effective May 1, 2006, continued a requirement for a Biological Monitoring and Abatement Program (BMAP). The BMAP was originally developed in 1985 to demonstrate that the effluent limitations established for the Y-12 Complex protected the classified uses of the receiving stream (East Fork Poplar Creek: EFPC), in particular, the growth and propagation of aquatic life (Loar et al. 1989). The objectives of the current BMAP are similar, specifically to assess stream ecological conditions relative to regulatory limits and criteria, to assess ecological impacts as well as recovery in response to Y-12 operations, and to investigate the causes of continuing impacts. The BMAP consists of three tasks that reflect complementary approaches to evaluating the effects of the Y-12 Complex discharges on the biotic integrity of EFPC. These tasks include: (1) bioaccumulation monitoring, (2) benthic macroinvertebrate community monitoring, and (3) fish community monitoring. As required by the NPDES permit, the BMAP benthic macroinvertebrate community monitoring task includes studies to annually evaluate the receiving stream's biological integrity in comparison to TN Water Quality Criteria. BMAP monitoring is currently being conducted at five primary EFPC sites, although sites may be excluded or added depending upon the specific objectives of the various tasks. Criteria used in selecting the sites include: (1) location of sampling sites used in other studies, (2) known or suspected sources of downstream impacts, (3) proximity to U.S. Department of Energy (DOE) Oak Ridge Reservation (ORR) boundaries, (4) appropriate habitat distribution, and (5) access. The primary sampling sites include upper EFPC at kilometers (EFKs) 24.4 and 23.4 [upstream and downstream of Lake Reality (LR) respectively]; EFK 18.7 (also EFK 18.2 and 19), located

  8. Geometric triangular chiral hexagon crystal-like complexes organization in pathological tissues biological collision order.

    Science.gov (United States)

    Díaz, Jairo A; Jaramillo, Natalia A; Murillo, Mauricio F

    2007-12-12

    The present study describes and documents self-assembly of geometric triangular chiral hexagon crystal like complex organizations (GTCHC) in human pathological tissues. The authors have found this architectural geometric expression at macroscopic and microscopic levels mainly in cancer processes. This study is based essentially on macroscopic and histopathologic analyses of 3000 surgical specimens: 2600 inflammatory lesions and 400 malignant tumours. Geometric complexes identified photographically at macroscopic level were located in the gross surgical specimen, and these areas were carefully dissected. Samples were taken to carry out histologic analysis. Based on the hypothesis of a collision genesis mechanism and because it is difficult to carry out an appropriate methodological observation in biological systems, the authors designed a model base on other dynamic systems to obtain indirect information in which a strong white flash wave light discharge, generated by an electronic device, hits over the lines of electrical conductance structured in helicoidal pattern. In their experimental model, the authors were able to reproduce and to predict polarity, chirality, helicoid geometry, triangular and hexagonal clusters through electromagnetic sequential collisions. They determined that similar events among constituents of extracelular matrix which drive and produce piezoelectric activity are responsible for the genesis of GTCHC complexes in pathological tissues. This research suggests that molecular crystals represented by triangular chiral hexagons derived from a collision-attraction event against collagen type I fibrils emerge at microscopic and macroscopic scales presenting a lateral assembly of each side of hypertrophy helicoid fibers, that represent energy flow in cooperative hierarchically chiral electromagnetic interaction in pathological tissues and arises as a geometry of the equilibrium in perturbed biological systems. Further interdisciplinary studies must

  9. Geometric triangular chiral hexagon crystal-like complexes organization in pathological tissues biological collision order.

    Directory of Open Access Journals (Sweden)

    Jairo A Díaz

    Full Text Available The present study describes and documents self-assembly of geometric triangular chiral hexagon crystal like complex organizations (GTCHC in human pathological tissues. The authors have found this architectural geometric expression at macroscopic and microscopic levels mainly in cancer processes. This study is based essentially on macroscopic and histopathologic analyses of 3000 surgical specimens: 2600 inflammatory lesions and 400 malignant tumours. Geometric complexes identified photographically at macroscopic level were located in the gross surgical specimen, and these areas were carefully dissected. Samples were taken to carry out histologic analysis. Based on the hypothesis of a collision genesis mechanism and because it is difficult to carry out an appropriate methodological observation in biological systems, the authors designed a model base on other dynamic systems to obtain indirect information in which a strong white flash wave light discharge, generated by an electronic device, hits over the lines of electrical conductance structured in helicoidal pattern. In their experimental model, the authors were able to reproduce and to predict polarity, chirality, helicoid geometry, triangular and hexagonal clusters through electromagnetic sequential collisions. They determined that similar events among constituents of extracelular matrix which drive and produce piezoelectric activity are responsible for the genesis of GTCHC complexes in pathological tissues. This research suggests that molecular crystals represented by triangular chiral hexagons derived from a collision-attraction event against collagen type I fibrils emerge at microscopic and macroscopic scales presenting a lateral assembly of each side of hypertrophy helicoid fibers, that represent energy flow in cooperative hierarchically chiral electromagnetic interaction in pathological tissues and arises as a geometry of the equilibrium in perturbed biological systems. Further

  10. Orbital driven impurity spin effect on the magnetic order of quasi-3D cupric oxide

    Science.gov (United States)

    Ganga, B. G.; Santhosh, P. N.; Nanda, B. R. K.

    2017-04-01

    Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (=Cr, Mn, Fe, Co and Ni). The distortion in the crystal structure, arisen to reduce the band energy by minimizing the covalent interaction, creates two crisscrossing zigzag spin-1/2 chains. From the spin dimer analysis we find that while the spin chain along ≤ft[1 0 \\bar{1}\\right] has strong Heisenberg type antiferromagnetic coupling (J ~ 127 meV), along ≤ft[1 0 1\\right] it exhibits weak, but robust, ferromagnetic coupling (J ~ 9 meV) mediated by reminiscent p-d covalent interactions. The impurity effect on the magnetic ordering is independent of M and purely orbital driven. If the given spin-state of M is such that the {{d}{{x2}-{{y}2}}} orbital is spin-polarized, then the original long-range ordering is maintained. However, if {{d}{{x2}-{{y}2}}} orbital is unoccupied, the absence of corresponding covalent interaction breaks the weak ferromagnetic coupling and a spin-flip takes place at the impurity site leading to breakdown of the long range magnetic ordering.

  11. Synthesis, characterization and biological evaluation of Rutin-zinc(II) flavonoid -metal complex.

    Science.gov (United States)

    Ikeda, Norma Estefania Andrades; Novak, Estela Maria; Maria, Durvanei Augusto; Velosa, Adélia Segin; Pereira, Regina Mara Silva

    2015-09-01

    Synthesis of compounds analogous to natural products from secondary metabolites, such as flavonoids, is a promising source of novel drugs. Rutin (quercetin-3-O-rutinoside) is a natural flavone, which has, in its chemical structure, different sites for coordination with transition metals and the complexation with these metals enhances its biological properties. Rutin-zinc(II), a flavonoid-metal complex, was synthesized and characterized by UV-VIS, FT-IR, elemental analysis and (1)H NMR. The antioxidant and antitumor activities, as well as the cytotoxicity and in vivo toxicity of this complex were evaluated and compared with the free rutin. Rutin-zinc(II) has not shown any cytotoxicity against normal cells (fibroblasts and HUVECs) or toxicity in BALB/c mice, but has shown antioxidant activity in vitro and cytotoxicity against leukemia (KG1, K562 and Jurkat), multiple myeloma (RPMI8226) and melanoma (B16F10 and SK-Mel-28) cell lines in vitro. In Ehrlich ascites carcinoma model, Rutin-zinc(II) modulated the mitochondrial membrane potential and the expression of genes related to cell cycle progression, angiogenesis and apoptosis.

  12. Antiproliferative Pt(IV) complexes: synthesis, biological activity, and quantitative structure-activity relationship modeling.

    Science.gov (United States)

    Gramatica, Paola; Papa, Ester; Luini, Mara; Monti, Elena; Gariboldi, Marzia B; Ravera, Mauro; Gabano, Elisabetta; Gaviglio, Luca; Osella, Domenico

    2010-09-01

    Several Pt(IV) complexes of the general formula [Pt(L)2(L')2(L'')2] [axial ligands L are Cl-, RCOO-, or OH-; equatorial ligands L' are two am(m)ine or one diamine; and equatorial ligands L'' are Cl- or glycolato] were rationally designed and synthesized in the attempt to develop a predictive quantitative structure-activity relationship (QSAR) model. Numerous theoretical molecular descriptors were used alongside physicochemical data (i.e., reduction peak potential, Ep, and partition coefficient, log Po/w) to obtain a validated QSAR between in vitro cytotoxicity (half maximal inhibitory concentrations, IC50, on A2780 ovarian and HCT116 colon carcinoma cell lines) and some features of Pt(IV) complexes. In the resulting best models, a lipophilic descriptor (log Po/w or the number of secondary sp3 carbon atoms) plus an electronic descriptor (Ep, the number of oxygen atoms, or the topological polar surface area expressed as the N,O polar contribution) is necessary for modeling, supporting the general finding that the biological behavior of Pt(IV) complexes can be rationalized on the basis of their cellular uptake, the Pt(IV)-->Pt(II) reduction, and the structure of the corresponding Pt(II) metabolites. Novel compounds were synthesized on the basis of their predicted cytotoxicity in the preliminary QSAR model, and were experimentally tested. A final QSAR model, based solely on theoretical molecular descriptors to ensure its general applicability, is proposed.

  13. Y-12 National Security Complex Biological Monitoring And Abatement Program 2008 Calendar Year Report

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, M. J.; Greeley Jr., M. S.; Mathews, T. J.; Morris, G. W.; Roy, W. K.; Ryon, M. G.; Smith, J. G.; Southworth, G. R.

    2009-07-01

    The National Pollutant Discharge Elimination System (NPDES) permit issued for the Oak Ridge Y-12 National Security Complex (Y-12 Complex) which became effective May 1, 2006, continued a requirement for a Biological Monitoring and Abatement Program (BMAP). The BMAP was originally developed in 1985 to demonstrate that the effluent limitations established for the Y-12 Complex protected the classified uses of the receiving stream (East Fork Poplar Creek: EFPC), in particular, the growth and propagation of aquatic life (Loar et al. 1989). The objectives of the current BMAP are similar, specifically to assess stream ecological conditions relative to regulatory limits and criteria, to assess ecological impacts as well as recovery in response to Y-12 operations, and to investigate the causes of continuing impacts. The BMAP consists of three tasks that reflect complementary approaches to evaluating the effects of the Y-12 Complex discharges on the biotic integrity of EFPC. These tasks include: (1) bioaccumulation monitoring, (2) benthic macroinvertebrate community monitoring, and (3) fish community monitoring. As required by the NPDES permit, the BMAP benthic macroinvertebrate community monitoring task includes studies to annually evaluate the receiving stream's biological integrity in comparison to TN Water Quality Criteria. BMAP monitoring is currently being conducted at five primary EFPC sites, although sites may be excluded or added depending upon the specific objectives of the various tasks. Criteria used in selecting the sites include: (1) location of sampling sites used in other studies, (2) known or suspected sources of downstream impacts, (3) proximity to U.S. Department of Energy (DOE) Oak Ridge Reservation (ORR) boundaries, (4) appropriate habitat distribution, and (5) access. The primary sampling sites include upper EFPC at kilometers (EFKs) 24.4 and 23.4 [upstream and downstream of Lake Reality (LR) respectively]; EFK 18.7 (also EFK 18.2 and 19), located off

  14. Solid-State Synthesis, Characterization, and Biological Activity of the Bioinorganic Complex of Aspartic Acid and Arsenic Triiodide

    Directory of Open Access Journals (Sweden)

    Guo-Qing Zhong

    2013-01-01

    Full Text Available The bioinorganic complex of aspartic acid and arsenic triiodide was synthesized by a solid-state reaction at room temperature. The formula of the complex is AsI3[HOOCCH2CH(NH2COOH]2.5. The crystal structure of the complex belongs to monoclinic system with lattice parameters: a=1.0019 nm, b=1.5118 nm, c=2.1971 nm, and β=100.28°. The infrared spectra can demonstrate the complex formation between the arsenic ion and aspartic acid, and the complex may be a dimer with bridge structure. The result of primary biological test indicates that the complex possesses better biological activity for the HL-60 cells of the leukemia than arsenic triiodide.

  15. Designing, syntheses, characterization, computational study and biological activities of silver-phenothiazine metal complex

    Science.gov (United States)

    Kumar, Vijay; Upadhyay, Niraj; Manhas, Anu

    2015-11-01

    A noble biologically active compound Ag(I)-PTZ metal complex (1) with spherical morphology was synthesized first time. Entire characterization tool (spectral, elemental, mass and thermal analysis) was supported a distorted tetrahedral structure, where two water compounds were coordinated with Ag(I) including one phenothiazine and one nitrate group. For the better insight, obtained spectral/structural results were supported by 3D molecular modeling. Compound 1 had shown excellent activities against the Salmonella typhimurium and Aspergillus fumigatus with minimum inhibitory concentration (MIC) value 20 mg/L and 25 mg/L. The observed antioxidant radical scavenging activity (in %) of compound 1 (62.74%) was more than control ascorbic acid (28.58%). The observed protein (BSA) binding constant of 1 was 8.86 × 104 M-1, which is similar to binding constant of salicylic acid with BSA protein. Initial studies have revealed that synthesized compound 1 may act as multipurpose drug analogue in future.

  16. Temperature-dependent phase transitions in zeptoliter volumes of a complex biological membrane

    Energy Technology Data Exchange (ETDEWEB)

    Nikiforov, Maxim P; Jesse, Stephen; Kalinin, Sergei V [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Hohlbauch, Sophia; Proksch, Roger [Asylum Research, Santa Barbara, CA 93117 (United States); King, William P [Department of Mechanical Science and Engineering, University of Illinois Urbana-Champaign, Urbana, IL 61801 (United States); Voitchovsky, Kislon [Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Contera, Sonia Antoranz [Department of Physics, University of Oxford, Parks Road, Oxford OX1 3PU, Oxford (United Kingdom)

    2011-02-04

    Phase transitions in purple membrane have been a topic of debate for the past two decades. In this work we present studies of a reversible transition of purple membrane in the 50-60 deg. C range in zeptoliter volumes under different heating regimes (global heating and local heating). The temperature of the reversible phase transition is 52 {+-} 5 deg. C for both local and global heating, supporting the hypothesis that this transition is mainly due to a structural rearrangement of bR molecules and trimers. To achieve high resolution measurements of temperature-dependent phase transitions, a new scanning probe microscopy-based method was developed. We believe that our new technique can be extended to other biological systems and can contribute to the understanding of inhomogeneous phase transitions in complex systems.

  17. Temperature-dependent phase transitions of a complex biological membrane in zeptoliter volumes

    Energy Technology Data Exchange (ETDEWEB)

    Nikiforov, Maxim [ORNL; Hohlbauch, Sophia [Asylum Research, Santa Barbara, CA; King, William P [University of Illinois, Urbana-Champaign; Voitchovsky, K [Massachusetts Institute of Technology (MIT); Contera, S Antoranz [University of Oxford; Jesse, Stephen [ORNL; Kalinin, Sergei V [ORNL; Proksch, Roger [Asylum Research, Santa Barbara, CA

    2011-01-01

    Phase transitions in purple membrane have been a topic of debate for the past two decades. In this work we present studies of a reversible transition of purple membrane in the 50 60 C range in zeptoliter volumes under different heating regimes (global heating and local heating). The temperature of the reversible phase transition is 52 5 C for both local and global heating, supporting the hypothesis that this transition is mainly due to a structural rearrangement of bR molecules and trimers. To achieve high resolution measurements of temperature-dependent phase transitions, a new scanning probe microscopy-based method was developed. We believe that our new technique can be extended to other biological systems and can contribute to the understanding of inhomogeneous phase transitions in complex systems.

  18. Structure and Bonding in Heme-Nitrosyl Complexes and Implications for Biology

    Energy Technology Data Exchange (ETDEWEB)

    Lehnert, Nicolai; Scheidt, W. Robert; Wolf, Matthew W. [Michigan; (Notre)

    2016-09-13

    This review summarizes our current understanding of the geometric and electronic structures of ferrous and ferric heme–nitrosyls, which are of key importance for the biological functions and transformations of NO. In-depth correlations are made between these properties and the reactivities of these species. Here, a focus is put on the discoveries that have been made in the last 10 years, but previous findings are also included as necessary. Besides this, ferrous heme–nitroxyl complexes are also considered, which have become of increasing interest recently due to their roles as intermediates in NO and multiheme nitrite reductases, and because of the potential role of HNO as a signaling molecule in mammals. In recent years, computational methods have received more attention as a means of investigating enzyme reaction mechanisms, and some important findings from these theoretical studies are also highlighted in this chapter.

  19. Modeling Complex Biological Flows in Multi-Scale Systems using the APDEC Framework

    Energy Technology Data Exchange (ETDEWEB)

    Trebotich, D

    2006-06-24

    We have developed advanced numerical algorithms to model biological fluids in multiscale flow environments using the software framework developed under the SciDAC APDEC ISIC. The foundation of our computational effort is an approach for modeling DNA-laden fluids as ''bead-rod'' polymers whose dynamics are fully coupled to an incompressible viscous solvent. The method is capable of modeling short range forces and interactions between particles using soft potentials and rigid constraints. Our methods are based on higher-order finite difference methods in complex geometry with adaptivity, leveraging algorithms and solvers in the APDEC Framework. Our Cartesian grid embedded boundary approach to incompressible viscous flow in irregular geometries has also been interfaced to a fast and accurate level-sets method within the APDEC Framework for extracting surfaces from volume renderings of medical image data and used to simulate cardio-vascular and pulmonary flows in critical anatomies.

  20. Small molecules unravel complex interplay between auxin biology and endomembrane trafficking.

    Science.gov (United States)

    Doyle, Siamsa M; Vain, Thomas; Robert, Stéphanie

    2015-08-01

    The establishment and maintenance of controlled auxin gradients within plant tissues are essential for a multitude of developmental processes. Auxin gradient formation is co-ordinated via local biosynthesis and transport. Cell to cell auxin transport is facilitated and precisely regulated by complex endomembrane trafficking mechanisms that target auxin carrier proteins to their final destinations. In turn, auxin and cross-talk with other phytohormones regulate the endomembrane trafficking of auxin carriers. Dissecting such rapid and complicated processes is challenging for classical genetic experiments due to trafficking pathway diversity, gene functional redundancy, and lethality in loss-of-function mutants. Many of these difficulties can be bypassed via the use of small molecules to modify or disrupt the function or localization of proteins. Here, we will review examples of the knowledge acquired by the use of such chemical tools in this field, outlining the advantages afforded by chemical biology approaches.

  1. Recovery Management in All Optical Networks Using Biologically-Inspired Complex Adaptive System

    Directory of Open Access Journals (Sweden)

    Inadyuti Dutt

    2013-01-01

    Full Text Available All-Optical Networks have the ability to display varied advantages like performance efficiency, throughput etc but their efficiency depends on their survivability as they are attack prone. These attacks can be categorised as active or passive because they try to access information within the network or alter the information in the network. The attack once detected has to be recovered by formulating back-up or alternative paths. The proposed heuristic uses biologically inspired Complex Adaptive System, inspired by Natural Immune System. The study shows that natural immune system exhibit unique behaviour of detecting foreign bodies in our body and removing them on their first occurrences. This phenomenon is being utilised in the proposed heuristic for recovery management in All-optical Network

  2. Complex Biological Event Extraction from Full Text using Signatures of Linguistic and Semantic Features

    Energy Technology Data Exchange (ETDEWEB)

    McGrath, Liam R.; Domico, Kelly O.; Corley, Courtney D.; Webb-Robertson, Bobbie-Jo M.

    2011-06-24

    Building on technical advances from the BioNLP 2009 Shared Task Challenge, the 2011 challenge sets forth to generalize techniques to other complex biological event extraction tasks. In this paper, we present the implementation and evaluation of a signature-based machine-learning technique to predict events from full texts of infectious disease documents. Specifically, our approach uses novel signatures composed of traditional linguistic features and semantic knowledge to predict event triggers and their candidate arguments. Using a leave-one out analysis, we report the contribution of linguistic and shallow semantic features in the trigger prediction and candidate argument extraction. Lastly, we examine evaluations and posit causes for errors of infectious disease track subtasks.

  3. Bions: a family of biomimetic mineralo-organic complexes derived from biological fluids.

    Directory of Open Access Journals (Sweden)

    Cheng-Yeu Wu

    Full Text Available Mineralo-organic nanoparticles form spontaneously in human body fluids when the concentrations of calcium and phosphate ions exceed saturation. We have shown previously that these mineralo-organic nanoparticles possess biomimetic properties and can reproduce the whole phenomenology of the so-called nanobacteria-mineralized entities initially described as the smallest microorganisms on earth. Here, we examine the possibility that various charged elements and ions may form mineral nanoparticles with similar properties in biological fluids. Remarkably, all the elements tested, including sodium, magnesium, aluminum, calcium, manganese, iron, cobalt, nickel, copper, zinc, strontium, and barium form mineralo-organic particles with bacteria-like morphologies and other complex shapes following precipitation with phosphate in body fluids. Upon formation, these mineralo-organic particles, which we term bions, invariably accumulate carbonate apatite during incubation in biological fluids; yet, the particles also incorporate additional elements and thus reflect the ionic milieu in which they form. Bions initially harbor an amorphous mineral phase that gradually converts to crystals in culture. Our results show that serum produces a dual inhibition-seeding effect on bion formation. Using a comprehensive proteomic analysis, we identify a wide range of proteins that bind to these mineral particles during incubation in medium containing serum. The two main binding proteins identified, albumin and fetuin-A, act as both inhibitors and seeders of bions in culture. Notably, bions possess several biomimetic properties, including the possibility to increase in size and number and to be sub-cultured in fresh culture medium. Based on these results, we propose that bions represent biological, mineralo-organic particles that may form in the body under both physiological and pathological homeostasis conditions. These mineralo-organic particles may be part of a

  4. Applying accelerator mass spectrometry for low-level detection of complex engineered nanoparticles in biological media.

    Science.gov (United States)

    Wang, Binghui; Jackson, George S; Yokel, Robert A; Grulke, Eric A

    2014-08-01

    Complex engineered nanoparticles (CENPs), which have different core and surface components, are being developed for medicinal, pharmaceutical and industrial applications. One of the key challenges for environmental health and safety assessments of CENPs is to identify and quantity their transformations in biological environments. This study reports the effects of in vivo exposure of citrate-coated nanoalumina with different rare isotope labels on each component. This CENP was dosed to the rat and accelerator mass spectrometry (AMS) was used to quantify (26)Al, (14)C, and their ratio in the dosing material and tissue samples. For CENPs detected in the liver, the rare isotope ratio, (14)C/(26)Al, was 87% of the dosing material's ratio. The citrate coating on the nanoalumina in the liver was stable or, if it degraded, its metabolites were incorporated with nearby tissues. However, in brain and bone where little alumina was detected, the rare isotope ratio greatly exceeded that of the dosing material. Therefore, in the animal, citrate dissociated from CENPs and redistributed to brain and bone. Tracking both the core and surface components by AMS presents a new approach for characterizing transformations of CENPs components in biological milieu or environments.

  5. Monitoring prion protein expression in complex biological samples by SERS for diagnostic applications

    Energy Technology Data Exchange (ETDEWEB)

    Manno, D; Filippo, E; Fiore, R; Serra, A [Dipartimento di Scienza dei Materiali, Universita del Salento, Lecce (Italy); Urso, E; Rizzello, A; Maffia, M [Dipartimento di Scienze e Tecnologie Biologiche ed Ambientali, Universita del Salento, Lecce (Italy)

    2010-04-23

    Surface-enhanced Raman spectroscopy (SERS) allows a new insight into the analysis of cell physiology. In this work, the difficulty of producing suitable substrates that, besides permitting the amplification of the Raman signal, do not interact with the biological material causing alteration, has been overcome by a combined method of hydrothermal green synthesis and thermal annealing. The SERS analysis of the cell membrane has been performed with special attention to the cellular prion protein PrP{sup C}. In addition, SERS has also been used to reveal the prion protein-Cu(II) interaction in four different cell models (B104, SH-SY5Y, GN11, HeLa), expressing PrP{sup C} at different levels. A significant implication of the current work consists of the intriguing possibility of revealing and quantifying prion protein expression in complex biological samples by a cheap SERS-based method, replacing the expensive and time-consuming immuno-assay systems commonly employed.

  6. Studying Biological Tissue with Fluorescence Lifetime Imaging: Microscopy, Endoscopy, and Complex Decay Profiles

    Science.gov (United States)

    Siegel, Jan; Elson, Daniel S.; Webb, Stephen E. D.; Lee, K. C. Benny; Vlandas, Alexis; Gambaruto, Giovanni L.; Léveque-Fort, Sandrine; Lever, M. John; Tadrous, Paul J.; Stamp, Gordon W. H.; Wallace, Andrew L.; Sandison, Ann; Watson, Tim F.; Alvarez, Fernando; French, Paul M. W.

    2003-06-01

    We have applied fluorescence lifetime imaging (FLIM) to the autofluorescence of different kinds of biological tissue in vitro , including animal tissue sections and knee joints as well as human teeth, obtaining two-dimensional maps with functional contrast. We find that fluorescence decay profiles of biological tissue are well described by the stretched exponential function (StrEF), which can represent the complex nature of tissue. The StrEF yields a continuous distribution of fluorescence lifetimes, which can be extracted with an inverse Laplace transformation, and additional information is provided by the width of the distribution. Our experimental results from FLIM microscopy in combination with the StrEF analysis indicate that this technique is ready for clinical deployment, including portability that is through the use of a compact picosecond diode laser as the excitation source. The results obtained with our FLIM endoscope successfully demonstrated the viability of this modality, though they need further optimization. We expect a custom-designed endoscope with optimized illumination and detection efficiencies to provide significantly improved performance.

  7. Attomolar detection of botulinum toxin type A in complex biological matrices.

    Directory of Open Access Journals (Sweden)

    Karine Bagramyan

    Full Text Available BACKGROUND: A highly sensitive, rapid and cost efficient method that can detect active botulinum neurotoxin (BoNT in complex biological samples such as foods or serum is desired in order to 1 counter the potential bioterrorist threat 2 enhance food safety 3 enable future pharmacokinetic studies in medical applications that utilize BoNTs. METHODOLOGY/PRINCIPAL FINDINGS: Here we describe a botulinum neurotoxin serotype A assay with a large immuno-sorbent surface area (BoNT/A ALISSA that captures a low number of toxin molecules and measures their intrinsic metalloprotease activity with a fluorogenic substrate. In direct comparison with the "gold standard" mouse bioassay, the ALISSA is four to five orders of magnitudes more sensitive and considerably faster. Our method reaches attomolar sensitivities in serum, milk, carrot juice, and in the diluent fluid used in the mouse assay. ALISSA has high specificity for the targeted type A toxin when tested against alternative proteases including other BoNT serotypes and trypsin, and it detects the holotoxin as well as the multi-protein complex form of BoNT/A. The assay was optimized for temperature, substrate concentration, size and volume proportions of the immuno-sorbent matrix, enrichment and reaction times. Finally, a kinetic model is presented that is consistent with the observed improvement in sensitivity. CONCLUSIONS/SIGNIFICANCE: The sensitivity, specificity, speed and simplicity of the BoNT ALISSA should make this method attractive for diagnostic, biodefense and pharmacological applications.

  8. Synthesis, spectroscopic, thermal and biological activity studies on triazine metal complexes.

    Science.gov (United States)

    Mohamed, Gehad G; Badawy, M A; Omar, M M; Nassar, M M; Kamel, A B

    2010-11-01

    The coordination behaviour of the triazine ligand with NNO donation sites, derived from 3-benzyl-7-hydrazinyl-4H-[1,3,4]thiadiazolo[2,3c][1,2,4]triazin-4-one (HL), towards some metal ions namely Mn(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) are reported. The metal complexes are characterized based on elemental analyses, IR, (1)H NMR, solid reflectance, magnetic moment, molar conductance and thermal analyses (TG, DTG and DTA). The ionization constants of the organic ligand under investigation as well as the stability constants of its metal chelates are calculated spectrophotometrically at 25°C. The chelates are found to have octahedral geometrical structures. The ligand (HL) and its binary chelates are subjected to thermal analyses (TG, DTG and DTA) and the different activation thermodynamic parameters are calculated from their corresponding DTG curves to throw more light on the nature of changes accompanying the thermal decomposition process of these compounds. The synthesized ligand and its metal complexes were found to have biological activity against the desert locust Schistocerca gregaria (Forsk.) (Orthoptera - Acrididae) and its adult longevities.

  9. Cyclopentanone thiosemicarbazone, a new complexing agent for copper determination in biological samples by adsorptive stripping voltammetry.

    Science.gov (United States)

    Mahajan, Rakesh Kumar; Walia, T P S; Sumanjit; Lobana, T S

    2006-03-01

    A selective and sensitive stripping voltammetric method for the determination of trace amounts of copper(II) with cyclopentanone thiosemicarbazone (CPTSC) is presented. The method is based on the adsorptive accumulation of the resulting copper-CPTSC complex on a hanging mercury drop electrode, followed by the stripping voltammetric measurements at the reduction current of the adsorbed complex at -0.37 V vs. Ag/AgCl. The optimal conditions for the stripping analysis of copper include pH 9.3, deposition time of 120 s, and a deposition potential of -0.1 V (vs. Ag/AgCl). The peak current is linearly proportional to the copper concentration over a range 3.14 x 10(-9) M to 1.57 x 10(-6) M with a limit of detection of 1.57 x 10(-9) M. The technique has been applied to the determination of copper in biological samples, like urine and whole blood.

  10. Reduction theories elucidate the origins of complex biological rhythms generated by interacting delay-induced oscillations.

    Directory of Open Access Journals (Sweden)

    Ikuhiro Yamaguchi

    Full Text Available Time delay is known to induce sustained oscillations in many biological systems such as electroencephalogram (EEG activities and gene regulations. Furthermore, interactions among delay-induced oscillations can generate complex collective rhythms, which play important functional roles. However, due to their intrinsic infinite dimensionality, theoretical analysis of interacting delay-induced oscillations has been limited. Here, we show that the two primary methods for finite-dimensional limit cycles, namely, the center manifold reduction in the vicinity of the Hopf bifurcation and the phase reduction for weak interactions, can successfully be applied to interacting infinite-dimensional delay-induced oscillations. We systematically derive the complex Ginzburg-Landau equation and the phase equation without delay for general interaction networks. Based on the reduced low-dimensional equations, we demonstrate that diffusive (linearly attractive coupling between a pair of delay-induced oscillations can exhibit nontrivial amplitude death and multimodal phase locking. Our analysis provides unique insights into experimentally observed EEG activities such as sudden transitions among different phase-locked states and occurrence of epileptic seizures.

  11. Measurement of the Cupric Ion Concentration in the Simulation of the Focusing effect

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Je-Young; Hong, Seung-Hyun; Chung, Bum-Jin [Kyung Hee University, Seoul (Korea, Republic of)

    2015-10-15

    The Rayleigh number and aspect ratio (H/R) ranged from 8.49x10{sup 7} to 5.43x10{sup 9} and 0.135 to 0.541 respectively. In order to simulate the different temperature conditions of top and side wall, an electrical resistance was attached to the top wall so that it is mimics hotter wall condition. The heat transfer experiments were replaced by mass transfer experiments based on the heat and mass transfer analogy concept. A sulfuric acid-copper sulfate (H{sub 2}SO{sub 4} - CuSO{sub 4}) electroplating system was adopted as the mass transfer system. The experimental study was performed to investigate the focusing effect according to the different temperature conditions and the height in metallic layer. This work devised a method to simulate the different cooling conditions of the top and side walls and adopted an electrical resistance to the top plate. The electrical resistance was varied for the height of side wall. The experimental results agreed well with the Rayleigh-Benard convection correlations of Dropkin and Somerscales and Globe and Dropkin. The heat transfer was enhanced by increasing the electrical resistance and decreasing the height of side wall. The focusing effect at the side wall was improved by the hotter top wall condition. In order to overcome the limitations of mass transfer, this work tried to measure the cupric ion concentration. The methods of concentration measurement are RGB, Brightness, ICP and PIV. The key of RGB, Brightness and PIV method is the clear images of the thermal boundary layer.

  12. Comparative toxicity and biodistribution of copper nanoparticles and cupric ions in rats.

    Science.gov (United States)

    Lee, In-Chul; Ko, Je-Won; Park, Sung-Hyeuk; Lim, Je-Oh; Shin, In-Sik; Moon, Changjong; Kim, Sung-Hwan; Heo, Jeong-Doo; Kim, Jong-Choon

    2016-01-01

    Despite widespread use and prospective biomedical applications of copper nanoparticles (Cu NPs), their biosafety issues and kinetics remain unclear. Thus, the aim of this study was to compare the detailed in vivo toxicity of Cu NPs and cupric ions (CuCl2; Cu ions) after a single oral dose. We determined the physicochemical characteristics of Cu NPs, including morphology, hydrodynamic size, zeta potential, and dissolution in gastric (pH 1.5), vehicle (pH 6.5), and intestinal (pH 7.8) conditions. We also evaluated the kinetics of Cu following a single equivalent dose (500 mg/kg) of Cu NPs and Cu ions. Cu NPs had highest dissolution (84.5%) only in gastric conditions when compared with complete dissolution of Cu ions under various physiological milieus. Kinetic analysis revealed that highest Cu levels in blood and tested organs of Cu NP-treated rats were 15%-25% lower than that of Cu ions. Similar to the case of Cu ions, Cu levels in the tested organs (especially liver, kidney, and spleen) of Cu NP-treated rats increased significantly when compared with the vehicle control. However, delay in reaching the highest level and biopersistence of Cu were observed in the blood and tested organs of Cu NP-treated rats compared with Cu ions. Extremely high levels of Cu in feces indicated that unabsorbed Cu NPs or absorbed Cu ions were predominantly eliminated through liver/feces. Cu NPs exerted apparent toxicological effects at higher dose levels compared with Cu ions and showed sex-dependent differences in mortality, biochemistry, and histopathology. Liver, kidney, and spleen were the major organs affected by Cu NPs. Collectively, the toxicity and kinetics of Cu NPs are most likely influenced by the release of Cu dissociated from Cu NPs under physiological conditions.

  13. Nanostructured cupric oxide electrode: An alternative to amperometric detection of carbohydrates in anion-exchange chromatography.

    Science.gov (United States)

    Barragan, José T C; Kubota, Lauro T

    2016-02-01

    In this paper, a new and low cost copper/cupric oxide nanostructured electrode is presented as an alternative to the amperometric detection of carbohydrates in high-performance anion exchange chromatography. The modified copper electrodes were prepared by a simple and fast method which resulted in the obtainment of homogeneously distributed nanostructures adhered to the surface with controlled chemical nature. The results, when compared to conventional copper electrodes, exhibited considerable improvements in analytical results, including: 1) Better repeatability in consecutive glucose detections, in which the percent relative standard deviation improved from 15.1% to 0.279%. 2) Significant improvements in the stability of the baseline and a decrease of the stabilization time, going from several hours to approximately 15 min. 3) Considerable increase in the sensitivity towards glucose, from 5.02 nA min mg L(-1) to 25.5 nA min mg L(-1). 4) Improvements in the detectability with limits as low as 1.09 pmol. 5) Wide working range of concentrations (1 × 10(-2) to 1 × 10(4) mg L(-1)). 6) Good linearity with correlation coefficients greater than 0.998. 7) Possibility of detecting different molecules of carbohydrates (lactose, maltose, sucrose cellobiose, sorbitol, fructose, glucose, galactose, manose, arabitol, xylose, ribose and arabnose). In comparison to the electrode that is more employed for this type of application (gold electrode), the low cost, the possibility of detection at constant potential and the equivalent detection limits presented by the new electrode material introduced in this work emerge as characteristics that make this material a powerful alternative considering the detection of carbohydrates in anion exchange chromatography.

  14. The cupric ion reducing antioxidant capacity and polyphenolic content of some herbal teas.

    Science.gov (United States)

    Apak, Reşat; Güçlü, Kubilay; Ozyürek, Mustafa; Esin Karademir, Saliha; Erçağ, Erol

    2006-01-01

    The total antioxidant capacity of the aqueous extracts of some endemic herbs-prepared as infusions by steeping these herbs in hot water--was assayed with bis(neocuproine)copper(II) chloride, also known as the cupric ion reducing antioxidant capacity (CUPRAC) reagent, which was easily accessible, rapid, stable and responsive to both hydrophilic and lipophilic antioxidants. The highest antioxidant capacities of some herbal teas available in the Turkish market were observed for scarlet pimpernel (Anagallis arvensis), sweet basil (Ocimum basilicum), green tea (Camellia sinensis) and lemon balm (Melissa officinalis), in this order (1.63, 1.18, 1.07, and 0.99 mmol trolox equivalent (TR)/g, respectively). For infusions prepared from ready-to-use tea bags, the CUPRAC values were highest for Ceylon blended ordinary tea (4.41), green tea with lemon (1.61), English breakfast ordinary tea (1.26) and green tea (0.94), all of which were manufactured types of C. sinensis. Following the strongest antioxidant herbs with capacities close to or slightly exceeding 1.0 mmol TR/g, sage, thyme, coriander, coltsfoot, blackberry and immortelle (Helichrysum) exhibited capacities around 0.5 mmol TR/g. The correlation of the Folin total phenolic content of herbal teas with their CUPRAC and ABTS (2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt) total antioxidant capacities gave linear curves with correlation coefficients of 0.966 and 0.936, respectively, showing that the CUPRAC assay results better correlated with total phenolic content of herbal teas. Absorbance versus concentration data at different dilutions and upon standard additions of model antioxidant compounds (trolox and quercetin) to herbal tea infusions showed that the absorbances (at 450 nm of the CUPRAC method) due to different antioxidant compounds in herbal tea infusions were additive; that is, the tested antioxidants did not chemically interact to cause apparent deviations from Beer's law.

  15. Complex permittivity of representative biological solutions in the 2-67 GHz range.

    Science.gov (United States)

    Zhadobov, Maxim; Augustine, Robin; Sauleau, Ronan; Alekseev, Stanislav; Di Paola, Alessandra; Le Quément, Catherine; Mahamoud, Yonis Soubere; Le Dréan, Yves

    2012-05-01

    The main purpose of this study is to provide experimental data on the complex permittivity of some biological solutions in the 2-67 GHz range at room and human body temperatures. The permittivity measurements are performed using an open-ended coaxial probe. Permittivity spectra of several representative monomolecular solutions of proteins, amino acids, nucleic acids, and carbohydrates are analyzed and compared. Furthermore, measurements have also been performed for complex biomolecular solutions, including bovine serum albumin (BSA)-DNA-glucose mixture, culture medium, and yeast extract solution. The results demonstrate that for concentrations below 1%, the permittivity spectra of the solutions do not substantially differ from that of distilled water. Measurements carried out for 4% and 20% BSA solutions show that the presence of proteins results in a decrease in permittivity. For highly concentrated RNA solutions (3%), a slight increase in the imaginary part of the permittivity is observed below 10 GHz. Experimental data show that free water permittivity can be used for modeling of the culture medium above 10 GHz. However, at lower frequencies a substantial increase in the imaginary part of the permittivity due to ionic conductivity should be carefully taken into account. A similar increase has also been observed for the yeast extract solution in the lower frequency region of the considered spectrum. Above 10 GHz, the high concentration of proteins and other low-permittivity components of the yeast extract solution results in a decrease in the complex permittivity compared to that of water. Obtained data are of utmost importance for millimeter-wave dosimetry studies.

  16. Biologic

    CERN Document Server

    Kauffman, L H

    2002-01-01

    In this paper we explore the boundary between biology and the study of formal systems (logic). In the end, we arrive at a summary formalism, a chapter in "boundary mathematics" where there are not only containers but also extainers ><, entities open to interaction and distinguishing the space that they are not. The boundary algebra of containers and extainers is to biologic what boolean algebra is to classical logic. We show how this formalism encompasses significant parts of the logic of DNA replication, the Dirac formalism for quantum mechanics, formalisms for protein folding and the basic structure of the Temperley Lieb algebra at the foundations of topological invariants of knots and links.

  17. Toxic Effects of Cupric Acetate and Avermectins on Orange Spotted Grouper Epinephelus coioides%乙酸铜和阿维菌素对斜带石斑幼鱼毒性效应的研究

    Institute of Scientific and Technical Information of China (English)

    程敏红; 杨小立; 庞强; 黄建荣; 黎祖福

    2014-01-01

    In this study ,the activities of acetylcholinesterase (AChE) ,superoxide dismutase (SOD) ,and aspartate transaminase (GOT ) and glutathione (GSH ) content were studied in liver of orange spotted grouper Epinephelus coioides exposed to cupric acetate and Avermectins at various concentrations to evaluate acute toxicity of cupric acetate and Avermectins .The results showed that the 24 h LC50 and 48 h LC50 were 103 .51 mg/L and 50 .86 mg/L in cupric acetate and 0 .02543 mg/L and 0 .01726 mg/L in Avermectins , with safe concentration of 3 .684 mg/L for cupric acetate and 0 .00239 mg/L for Avermectins .Cupric acetate and Avermectins stress resulted in significant changes in AChE ,SOD ,and GOT activities in liver (P0 .05) ,but higher than that in the control group in 96 h cupric acetate exposure (P< 0 .05) .There were significantly lower liver GSH contents in 2 .5μg/L ,4 .25μg/L ,7 .25 μg/L and 12 .25 μg/L Avermectins groups than that in the control group . The findings indicate that cupric acetate and Avermectins stress affect AChE , SOD and GOT activities and GSH content ,and that biological effects of pesticides on orange spotted grouper are reflected in changes in activities of AChE ,SOD and GOT and GSH content .%采用静水生物法,研究了乙酸铜和阿维菌素对斜带石斑鱼的急性毒性并进行安全评价;依据急性试验结果,设计一系列质量浓度梯度进行暴露试验,探讨了乙酸铜和阿维菌素暴露对斜带石斑鱼肝脏中乙酰胆碱酯酶、超氧化物歧化酶、谷草转氨酶活性和谷胱甘肽含量的毒性影响。试验结果表明,乙酸铜和阿维菌素对斜带石斑鱼的24 h半致死质量浓度、48 h半致死质量浓度分别为103.51、50.86 mg/L和0.02543、0.01726 mg/L ,安全质量浓度分别为3.684 mg/L和0.00239 mg/L ;除阿维菌素对谷草转氨酶作用不明显外,乙酸铜和阿维菌素胁迫均引起肝脏乙酰胆碱酯酶、超氧化物歧化酶和谷草转

  18. Synthesis, characterization, electrochemical and biological studies on some metal(II) Schiff base complexes containing quinoxaline moiety

    Science.gov (United States)

    Justin Dhanaraj, Chellaian; Johnson, Jijo

    2014-01-01

    Novel Co(II), Ni(II), Cu(II) and Zn(II) complexes of Schiff base derived from quinoxaline-2,3-(1,4H)-dione and 4-aminoantipyrine (QDAAP) were synthesized. The ligand and its complexes were characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, FTIR, UV-Vis., mass and 1H NMR spectral studies. The X band ESR spectrum of the Cu(II) complex at 300 and 77 K were also recorded. Thermal studies of the ligand and its complexes show the presence of coordinated water in the Ni(II) and Zn(II) complexes. The coordination behavior of QDAAP is also discussed. All the complexes are mono nuclear and tetrahedral geometry was found for Co(II) complex. For the Ni(II) and Zn(II) complexes, octahedral geometry was assigned and for the Cu(II) complex, square planar geometry has been suggested. The grain size of the complexes was estimated using powder XRD. The surface morphology of the compounds was studied using SEM analysis. Electrochemical behavior of the synthesized complexes in DMF at room temperature was investigated by cyclic voltammetry. The in vitro biological screening of QDAAP and its metal complexes were tested against bacterial species Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. The fungal species include Aspergillus niger, Aspergillus flavus and Candida albicans. The DNA cleavage activity of QDAAP and its complexes were also discussed.

  19. Cupric ion release and cytotoxicity for Yuangong Cu-IUDs and the release behavior of indomethacin for medicated 220 Cu-IUD

    Institute of Scientific and Technical Information of China (English)

    CAO BianMei; XI TingFei; ZHENG YuDong; YANG LiFeng; ZHENG Qi

    2009-01-01

    These years Yuangong copper-bearing intrauterine devices (Cu-IUDs) have been used because of less side effects in use. The corrosion of copper is essential to the success of contraception,and the release behavior of indomethacin from medicated Cu-IUD is related to its therapeutic effect. In this study,analytical methods were established to investigate the release behavior of cupric ion of three kinds of Yuangong Cu-IUDs and indomethacin of medicated Yuangong 220 Cu-IUD. Cu-IUDs were incubated in simulated uterine solution (SUS). The concentrations of cupric ion and indomethacin were analyzed by flame atomic absorption spectrometer (FAAS) for 60 days and UV/vis-3310 spectrophotometer for 60 days,respectively. The morphology of copper after corrosion was characterized by SEM. In addition,we detected cytotoxicity by MTT of L929 mouse fibroblasts cells caused by extracts of the three Yuangong Cu-IUDs. The release behavior of cupric ion for three kinds of Yuangong Cu-IUDs was biphasic,which consisted of the initial burst release and then slow and constant release. In vitro release experiment confirmed a biphasic release of indomethacin from Yuangong 220. The copper wire of Yuangong Cu-IUDs showed uneven corrosion. The RGR value of Yuangong 365 Cu-IUD was smaller than that of medicated Yuangong 220 Cu-IUD and RGR value of medicated Yuangong 220 Cu-IUD was smaller than that of Yuangong 300 Cu-IUD. The cupric ion release and indomethacin release showed biphasic. Indomethacin increased the cupric ion release rate and might diminish the adverse effects caused by burst release of cupric ion. The toxicity grade of these three Yuangong Cu-IUDs was 4. We should canvass the adverse events of Cu-IUDs based on practical experiments,and try our best to reduce the toxicity of Cu-IUDs.

  20. Quantitative correlation of the in vitro biological effect with parameters of molecular complexation in mutagen-interceptor systems.

    Science.gov (United States)

    Buchelnikov, Anatoly S; Evstigneev, Maxim P

    2014-09-21

    According to the theory of interceptor-protector action a quantitative link between the physico-chemical parameters of molecular complexation and in vitro biological effect in aromatic drug-interceptor systems must exist. In the present communication such link between relative change in mutagenicity of IQ-type aromatic mutagens on addition of aromatic interceptor molecules with equilibrium hetero-association constants of mutagen-interceptor complexation has been found using the published in vitro data in bacteria cell systems.

  1. Cu(II AND Zn(II COMPLEX COMPOUNDS WITH BIGUANIDES AROMATIC DERIVATIVES. SYNTHESIS, CHARACTERIZATION, BIOLOGICAL ACTIVITY

    Directory of Open Access Journals (Sweden)

    Ticuţa Negreanu-Pîrjol

    2011-05-01

    Full Text Available In this paper we report the synthesis, physical-chemical characterization and antimicrobial activity of some new complex compounds of hetero-aromatic biguanides ligands, chlorhexidine base (CHX and chlorhexidine diacetate (CHXac2 with metallic ions Cu(II and Zn(II, in different molar ratio. The synthesized complexes were characterized by elemental chemical analysis and differential thermal analysis. The stereochemistry of the metallic ions was determined by infrared spectra, UV-Vis, EPR spectroscopy and magnetic susceptibility in the aim to establish the complexes structures. The biological activity of the new complex compounds was identified in solid technique by measuring minimum inhibition diameter of bacterial and fungal culture, against three standard pathogen strains, Escherichia coli ATCC 25922, Staphilococcus aureus ATCC 25923 and Candida albicans ATCC 10231. The results show an increased specific antimicrobial activity for the complexes chlorhexidine:Cu(II 1:1 and 1:2 compared with the one of the Zn(II complexes.

  2. Ecological complexity in a coffee agroecosystem: spatial heterogeneity, population persistence and biological control.

    Directory of Open Access Journals (Sweden)

    Heidi Liere

    Full Text Available BACKGROUND: Spatial heterogeneity is essential for the persistence of many inherently unstable systems such as predator-prey and parasitoid-host interactions. Since biological interactions themselves can create heterogeneity in space, the heterogeneity necessary for the persistence of an unstable system could be the result of local interactions involving elements of the unstable system itself. METHODOLOGY/PRINCIPAL FINDINGS: Here we report on a predatory ladybird beetle whose natural history suggests that the beetle requires the patchy distribution of the mutualism between its prey, the green coffee scale, and the arboreal ant, Azteca instabilis. Based on known ecological interactions and the natural history of the system, we constructed a spatially-explicit model and showed that the clustered spatial pattern of ant nests facilitates the persistence of the beetle populations. Furthermore, we show that the dynamics of the beetle consuming the scale insects can cause the clustered distribution of the mutualistic ants in the first place. CONCLUSIONS/SIGNIFICANCE: From a theoretical point of view, our model represents a novel situation in which a predator indirectly causes a spatial pattern of an organism other than its prey, and in doing so facilitates its own persistence. From a practical point of view, it is noteworthy that one of the elements in the system is a persistent pest of coffee, an important world commodity. This pest, we argue, is kept within limits of control through a complex web of ecological interactions that involves the emergent spatial pattern.

  3. Preparative divergent flow IEF without carrier ampholytes for separation of complex biological samples.

    Science.gov (United States)

    Stastna, Miroslava; Slais, Karel

    2010-01-01

    Efficient separation method is a crucial part of the process in which components of highly complex biological sample are identified and characterized. Based on the principles of recently newly established electrophoretic method called divergent flow IEF (DF IEF), we have tested the DF IEF instrument which is able to operate without the use of background carrier ampholytes. We have verified that during separation and focusing of sample consisting of high numbers of proteins (yeast lysate and wheat flour extract), the pH gradient of preparative DF IEF can be created by autofocusing of the sample components themselves without any addition of carrier ampholytes. In DF IEF, the proteins are separated, desalted and concentrated in one step. The fractions of yeast lysate sample, collected at the DF IEF output and subjected to gel IEF, contained the zones of proteins gradually covering the pI values from 3.7 to 8.5. In our experimental arrangement, the highest number of proteins has been found in fractions with pI values around 5.3 as detected by polyacrylamide gel IEF with CBB staining. During DF IEF, the selected protein bands have been concentrated up to 16.8-fold.

  4. Synthesis, characterization, biological activity and DNA cleavage studies of tridentate Schiff bases and their Co(II complexes

    Directory of Open Access Journals (Sweden)

    P. Kavitha

    2016-01-01

    Full Text Available In the present study a series of Co(II complexes of formyl chromone Schiff bases have been synthesized characterized by analytical, molar conductance, IR, electronic, magnetic susceptibility, thermal, fluorescence and powder XRD measurements and screened for various biological activities (antimicrobial, antioxidant, nematicidal, DNA cleavage and cytotoxicity. In all the Co(II complexes 1:2 metal to ligand molar ratio was obtained from analytical data. The molar conductance data confirm that all complexes are non-electrolytic in nature. Based on the electronic and magnetic data, an octahedral geometry is ascribed for all the Co(II complexes. Thermal behaviour of the synthesized complexes illustrates the general decomposition patterns of the complexes. The X-ray analysis data show that all the Co(II complexes have triclinic crystal system with different unit cell parameters. Metal complexes have greater antimicrobial activity than ligands. Antioxidant and nematicidal activities indicate that the ligands exhibit greater activity when compared to their respective Co(II complexes. All ligands and Co(II complexes of HL1 and HL2 showed considerable anticancer activity against Raw, MCF-7 and COLO 205 cell lines. All ligands and their Co(II complexes showed more pronounced DNA cleavage activity in the presence of H2O2.

  5. Electrolytic regeneration of acid cupric chloride printed circuit board etchant. Final report, August 1, 1995--October 31, 1996

    Energy Technology Data Exchange (ETDEWEB)

    Oxley, J.E.; Smialek, R.J.

    1997-04-18

    The overall objective of this ERIP program was to make substantial progress in further developing a process for electrolytic regeneration of acid cupric chloride etchant - a process which was initially demonstrated in in-house studies and EPA Phase I and Phase II SBIRs. Specific objectives of the work were: (1) to define optimum system operating conditions by conducting a systematic study of process parameters, (2) to develop or find a superior electrolyic cell separator material, (3) to determine an optimum activation procedure for the flow-through carbon/graphite felt electrodes which are so critical to process performance, (4) to demonstrate - on the pre-prototype scale - electrolytic compensation for oxygen ingress - which causes etchant solution growth, and (5) to begin engineering design work on a prototype-scale regeneration unit. Parametric studies looked at the effect that key plating parameters have on copper deposit quality. Parameters tested included (a) velocity past the plating cathodes, (b) copper concentration in the catholyte solution from which the copper is being plated, (c) plating current density, and (d) catholyte cupric ion concentration. The most significant effects were obtained for velocity changes. The work showed that catholyte velocities above 0.5 ft/sec were needed to get adequate plating at 77.5 mA/cm{sup 2} and higher currents, and that even higher flow was better.

  6. In Vitro Sensitivity Research Concerning Some Microorganisms at Hydroxyquinoline and Cupric Derivatives Deposited onto Hydroxyapatite

    Directory of Open Access Journals (Sweden)

    Sorin Rapuntean

    2016-11-01

    Full Text Available ABSTRACT Introduction: The preparations based on hydroxyquinoline, in various combinations, are used in medicine, being shown to have an inhibitory effect against bacteria, molds, fungi, parasites, and viruses, but also having other beneficial effects mentioned in other medical conditions (anti-cancer, anti-degenerative, anti-inflammatory. Aims: In vitro susceptibility testing of microorganisms: bacteria (Gram positive and Gram negative, yeast (Candida spp., and unicellular algae (Prototheca spp. at the preparations based on hydroxyquinoline (HQ and its cupric derivatives deposited on hydroxyapatite (HAP. Materials and methods: There were tested microbial strains of the following genera: Escherichia, Staphylococcus, Micrococcus, Bacillus, Candida, and Prototheca. The tested products (developed in the Laboratory for Nanobiomaterials Synthesis, Center of Physical Chemistry, Faculty of Chemistry and Chemical Engineering, UBB Cluj-Napoca were developed in three versions: 1 HQ–Cu2+–HAP1; 2 HQ–Cu2+–HAP2; and 3 NHQ–Cu2+–HAP2, where NHQ stands for nitro hydroxyquinoline. Determination of the inhibitory effect was conducted by diffusion technique in nutrient agar, according to CLSI 2013 standards, with necessary adaptations for testing of products made in the form of suspensions. Results: Following interpretation, it was found that the inhibition zones, arising from the antimicrobial effect of the tested products showed variability in size, depending on the test product and the microbial strain: Escherichia coli (8-10 mm, Staphylococcus sp. (17.6 - 23.2 mm, Micrococcus spp. (24.4 - 27.6 mm, Bacillus spp. (14.0 - 16.0 mm, Candida spp. (20.4 - 25.2 mm, Prototheca spp. (20.8 - 30.0 mm. From the three tested products, the best efficacy was found at the product no. 3 (NHQ – Cu2+ – HAP2, followed by no. 1 (HQ– Cu2+–HAP1 and no. 2 (HQ–Cu2+–HAP2. Conclusions: The inhibitory effect was bactericidal, manifested more intensively against Gram

  7. SYNTHESIS, SPECTROSCOPIC, THERMAL STUDIES AND BIOLOGICAL ACTIVITY OF A NEW SULFAMETHOXAZOLE SCHIFF BASE AND ITS COPPER COMPLEXES

    Directory of Open Access Journals (Sweden)

    A. M. Abu-Yamin et al.

    2011-12-01

    Full Text Available A new Sulfamethoxazole Schiff base (E-4-(4-methoxybenzylideneamino-N-(5-methylis-oxazol-3-yl benzenesulfonamide (C18H17N3O4S, and its copper complex were synthesized and the structures elucidated on the basis of Physiochemical methods. The studies indicate an octahedral structure for the complexes with the (C22H27N3O10SCu formula. The IR spectra suggest that the ligand act as tridentate (from oxygen and two nitrogen atoms donor. Also the biological activity of the Schiff base and its Cu complex were studied.

  8. Synthesis, characterization and biological activities of some new chromium molybdenum and tungsten complexes with 2,6-diaminopyridine.

    Science.gov (United States)

    Soliman, Ahmed A; Ali, Saadia A; Marei, Amany H; Nassar, Doaa H

    2012-04-01

    The reactions of [M(CO)6], M=Cr, Mo, W with 2,6-diaminopyridine (dap) in ethanol was carried out under sun light and microwave irradiation routes of synthesis and compared with the traditional thermal reflux method. All routes resulted in the formation of the binuclear oxo complexes with the general formulas [M2(O)4(dap)2]. The prepared complexes were characterized using elemental analysis, IR, 1HNMR, mass spectrometry and magnetic measurement. The biological activity of dap and its complexes as antibacterial and antifungal reagents have been screened.

  9. Analysis of undergraduate students' conceptual models of a complex biological system across a diverse body of learners

    Science.gov (United States)

    Dirnbeck, Matthew R.

    Biological systems pose a challenge both for learners and teachers because they are complex systems mediated by feedback loops; networks of cause-effect relationships; and non-linear, hierarchical, and emergent properties. Teachers and scientists routinely use models to communicate ideas about complex systems. Model-based pedagogies engage students in model construction as a means of practicing higher-order reasoning skills. One such modeling paradigm describes systems in terms of their structures, behaviors, and functions (SBF). The SBF framework is a simple modeling language that has been used to teach about complex biological systems. Here, we used student-generated SBF models to assess students' causal reasoning in the context of a novel biological problem on an exam. We compared students' performance on the modeling problem, their performance on a set of knowledge/comprehension questions, and their performance on a set of scientific reasoning questions. We found that students who performed well on knowledge and understanding questions also constructed more networked, higher quality models. Previous studies have shown that learners' mental maps increase in complexity with increased expertise. We wanted to investigate if biology students with varying levels of training in biology showed a similar pattern when constructing system models. In a pilot study, we administered the same modeling problem to two additional groups of students: 1) an animal physiology course for students pursuing a major in biology (n=37) and 2) an exercise physiology course for non-majors (n=27). We found that there was no significant difference in model organization across the three student populations, but there was a significant difference in the ability to represent function between the three populations. Between the three groups the non-majors had the lowest function scores, the introductory majors had the middle function scores, and the upper division majors had the highest function

  10. Synthesis, spectral and thermal studies of some transition metal mixed ligand complexes: modeling of equilibrium composition and biological activity.

    Science.gov (United States)

    Neelakantan, M A; Sundaram, M; Nair, M Sivasankaran

    2011-09-01

    Several mixed ligand Ni(II), Cu(II) and Zn(II) complexes of 2-amino-3-hydroxypyridine (AHP) and imidazoles viz., imidazole (him), benzimidazole (bim), histamine (hist) and L-histidine (his) have been synthesized and characterized by elemental and spectral (vibrational, electronic, 1H NMR and EPR) data as well as by magnetic moment values. On the basis of elemental analysis and molar conductance values, all the complexes can be formulated as [MAB]Cl except histidine complexes as MAB. Thermogravimetric studies reveal the presence of coordinated water molecules in most of the complexes. From the magnetic measurements and electronic spectral data, octahedral structure was proposed for Ni(II) and Cu(II)-AHP-his, tetrahedral for Cu(II)-AHP-him/bim/hist, but square planar for the Cu(II)-AHP complex. The g∥/A∥ calculated supports tetrahedral environment around the Cu(II) in Cu(II)-AHP-him/bim/hist and distorted octahedral for Cu(II)-AHP-his complexes. The morphology of the reported metal complexes was investigated by scanning electron micrographs (SEM). The potentiometric study has been performed in aqueous solution at 37 °C and I=0.15 mol dm(-3) NaClO4. MABH, MAB and MAB2 species has been identified in the present systems. Proton dissociation constants of AHP and stability constants of metal complexes were determined using MINIQUAD-75. The most probable structure of the mixed ligand species is discussed based upon their stability constants. The in vitro biological activity of the complexes was tested against the Gram positive and Gram negative bacteria, fungus and yeast. The oxidative DNA cleavage studies of the complexes were performed using gel electrophoresis method. Cu(II) complexes have been found to promote DNA cleavage in presence of biological reductant such as ascorbate and oxidant like hydrogen peroxide.

  11. Synthesis, spectral and thermal studies of some transition metal mixed ligand complexes: Modeling of equilibrium composition and biological activity

    Science.gov (United States)

    Neelakantan, M. A.; Sundaram, M.; Nair, M. Sivasankaran

    2011-09-01

    Several mixed ligand Ni(II), Cu(II) and Zn(II) complexes of 2-amino-3-hydroxypyridine (AHP) and imidazoles viz., imidazole (him), benzimidazole (bim), histamine (hist) and L-histidine (his) have been synthesized and characterized by elemental and spectral (vibrational, electronic, 1H NMR and EPR) data as well as by magnetic moment values. On the basis of elemental analysis and molar conductance values, all the complexes can be formulated as [MAB]Cl except histidine complexes as MAB. Thermogravimetric studies reveal the presence of coordinated water molecules in most of the complexes. From the magnetic measurements and electronic spectral data, octahedral structure was proposed for Ni(II) and Cu(II)-AHP-his, tetrahedral for Cu(II)-AHP-him/bim/hist, but square planar for the Cu(II)-AHP complex. The g∥/ A∥ calculated supports tetrahedral environment around the Cu(II) in Cu(II)-AHP-him/bim/hist and distorted octahedral for Cu(II)-AHP-his complexes. The morphology of the reported metal complexes was investigated by scanning electron micrographs (SEM). The potentiometric study has been performed in aqueous solution at 37 °C and I = 0.15 mol dm -3 NaClO 4. MABH, MAB and MAB 2 species has been identified in the present systems. Proton dissociation constants of AHP and stability constants of metal complexes were determined using MINIQUAD-75. The most probable structure of the mixed ligand species is discussed based upon their stability constants. The in vitro biological activity of the complexes was tested against the Gram positive and Gram negative bacteria, fungus and yeast. The oxidative DNA cleavage studies of the complexes were performed using gel electrophoresis method. Cu(II) complexes have been found to promote DNA cleavage in presence of biological reductant such as ascorbate and oxidant like hydrogen peroxide.

  12. Mixed ligand Cu(II)N2O2 complexes: biomimetic synthesis, activities in vitro and biological models, theoretical calculations.

    Science.gov (United States)

    Li, Chen; Yin, Bing; Kang, Yifan; Liu, Ping; Chen, Liang; Wang, Yaoyu; Li, Jianli

    2014-12-15

    Three new mixed ligand Cu(II)N2O2 complexes, namely, [Cu(II)(2-A-6-MBT)2(m-NB)2] (1), [Cu(II)(2-ABT)2(m-NB)2] (2), and [Cu(II)(2-ABT)2(o-NB)2] (3), (2-A-6-MBT = 2-amino-6-methoxybenzothiazole, m-NB = m-nitrobenzoate, 2-ABT = 2-aminobenzothiazole, and o-NB = o-nitrobenzoate), have been prepared by the biomimetic synthesis strategy, and their structures were determined by X-ray crystallography studies and spectral methods. These complexes exhibited the effective superoxide dismutase (SOD) activity and catecholase activity. On the basis of the experimental data and computational studies, the structure-activity relationship for these complexes was investigated. The results reveal that electron-accepting abilities of these complexes and coordination geometries have significant effects on the SOD activity and catecholase activity. Then, we found that 1 and 2 exerted potent intracellular antioxidant capacity in the model of H2O2-induced oxidative stress based on HeLa cervical cancer cells, which were screened out by the cytotoxicity assays of different kinds of cells. Furthermore, 1-3 showed the favorable biocompatibility in two different biological models: Saccharomyces cerevisiae and human vascular endothelial cells. These biological experimental data are indicative of the promising application potential of these complexes in biology and pharmacology.

  13. Assessing the Possibility of Biological Complexity on Other Worlds, with an Estimate of the Occurrence of Complex Life in the Milky Way Galaxy

    Directory of Open Access Journals (Sweden)

    Louis N. Irwin

    2014-05-01

    Full Text Available Rational speculation about biological evolution on other worlds is one of the outstanding challenges in astrobiology. With the growing confirmation that multiplanetary systems abound in the universe, the prospect that life occurs redundantly throughout the cosmos is gaining widespread support. Given the enormous number of possible abodes for life likely to be discovered on an ongoing basis, the prospect that life could have evolved into complex, macro-organismic communities in at least some cases merits consideration. Toward that end, we here propose a Biological Complexity Index (BCI, designed to provide a quantitative estimate of the relative probability that complex, macro-organismic life forms could have emerged on other worlds. The BCI ranks planets and moons by basic, first-order characteristics detectable with available technology. By our calculation only 11 (~1.7% of the extrasolar planets known to date have a BCI above that of Europa; but by extrapolation, the total of such planets could exceed 100 million in our galaxy alone. This is the first quantitative assessment of the plausibility of complex life throughout the universe based on empirical data. It supports the view that the evolution of complex life on other worlds is rare in frequency but large in absolute number.

  14. Integration of complex data sources to provide biologic insight into pulmonary vascular disease (2015 Grover Conference Series)

    Science.gov (United States)

    Chan, Stephen Y.

    2016-01-01

    Abstract The application of complex data sources to pulmonary vascular diseases is an emerging and promising area of investigation. The use of -omics platforms, in silico modeling of gene networks, and linkage of large human cohorts with DNA biobanks are beginning to bear biologic insight into pulmonary hypertension. These approaches to high-throughput molecular phenotyping offer the possibility of discovering new therapeutic targets and identifying variability in response to therapy that can be leveraged to improve clinical care. Optimizing the methods for analyzing complex data sources and accruing large, well-phenotyped human cohorts linked to biologic data remain significant challenges. Here, we discuss two specific types of complex data sources—gene regulatory networks and DNA-linked electronic medical record cohorts—that illustrate the promise, challenges, and current limitations of these approaches to understanding and managing pulmonary vascular disease. PMID:27683602

  15. Supramolecular structural, thermal properties and biological activity of 3-(2-methoxyphenoxy)propane-1,2-diol metal complexes

    Science.gov (United States)

    Mahmoud, Walaa H.; Mahmoud, Nessma F.; Mohamed, Gehad G.; El-Bindary, Ashraf A.; El-Sonbati, Adel Z.

    2015-04-01

    New bi- and trivalent transition metal complexes of ligand 3-(2-methoxyphenoxy)propane-1,2-diol (GFS) were synthesized. The ligand and complexes were characterized via: melting point, UV/Visible, IR, 1H NMR, mass and diffused reflectance spectroscopy. The molecular structure of the investigated ligand (GFS) is optimized theoretically and the quantum chemical parameters are calculated. In addition, the complexes were characterized based on conductivity measurement, thermal analysis and biological activity. The infrared spectral study of GFS and its complexes, act as monobasic tridentate through the oxygen atom of hydroxyl group and two etheric oxygen atoms. Also, coordination to the unprotonated oxygen is evidenced from the disappearance of the OH signal in the 1H NMR spectra after complexation. The thermogravimetric analysis of the complexes shows metal oxide remaining as the final product. The compounds were tested against four bacterial species; two Gram positive bacteria (Bacillus subtilis and Staphylococcus aureus) and two Gram negative bacteria (Escherichia coli and Pseudomonas aeruginosa) as well as antifungal activity against (Candida albicans). The complexes showed significant activities against Gram positive bacteria than Gram negative bacteria. [Cd(GFS)Cl(H2O)2] complex showed remarkable antifungal activity. However, some complexes showed more chemotherapeutic efficiency than the parent GFS drug. The drug and complexes were also screened for their in vitro anticancer activity against the Breast cell line (MFC7) and the results obtained show that they exhibit a considerable anticancer activity.

  16. [Molluscacide activity of a mixture of 6-n-alkyl salicylic acids (anacardic acid) and 2 of its complexes with copper (II) and lead (II)].

    Science.gov (United States)

    Mendes, N M; de Oliveira, A B; Guimarães, J E; Pereira, J P; Katz, N

    1990-01-01

    The molluscicide activity of hexanic extract from Anacardium occidentale L. (cashew) nut shell, of copper (II) complex, of lead (II) complex and anacardic acid has been compared in the laboratory in an attempt to obtain better stability than anacardic acid. This was obtained from the hexanic extract of the cashew nut shell by precipitation with lead (II) hydroxide or cupric sulfate plus sodium hydroxide or (II) cupric hydroxide followed by treatment of lead (II) complex with a diluted solution of sulfuric acid. Ten products of the mixture obtained were tested on adults snails of Biomphalaria glabrata at 1 to 10 ppm. The most active products were copper (II) complex, obtained by cupric sulfate plus sodium hydroxide, and anacardic acid (sodium hydroxide) which presented activity at 4 ppm. The anacardic acid's lead content was above the limits accepted by the United States standards.

  17. Synthesis, Crystal Structure, Spectroscopic Properties and Potential Biological Activities of Salicylate‒Neocuproine Ternary Copper(II Complexes

    Directory of Open Access Journals (Sweden)

    Lenka Kucková

    2015-01-01

    Full Text Available Mixed ligand copper(II complexes containing derivatives of salicylic acid and heterocyclic ligands with nitrogen donor atoms have been the subject of various studies and reviews. In this paper, synthesis and characterization of the ternary copper(II complexes of neocuproine (2,9-dimethyl-1,10-phenanthroline, Neo and salicylate ligands (Sal are reported. In addition, the crystal structures of ([Cu(H2O(5-Cl-Sal(Neo] (1, [Cu(μ-Sal(Neo]2 (2, Cu2(μ-5-Cl-Sal(5-Cl-HSal2(Neo2]·EtOH (3 were determined. In order to compare structural and biological properties of the prepared complexes, spectroscopic and biological studies were performed. Results of X-ray diffraction show that prepared complexes form three types of crystal structures in a given system: monomeric, dimeric and dinuclear complex. The preliminary study on the DNA cleavage activity has shown that the complexes under study behave as the chemical nucleases in the presence of added hydrogen peroxide with slight differences in the activity (1 > 2 > 3. The complexes 1 and 2 exhibited nuclease activity itself indicating the interaction of complexes with the DNA. It has been proposed that the enhanced destructive effect of the complexes 1 and 2 on the DNA is a result of two possible mechanisms of action: (i the conversion of closed circular DNA (form I to the nicked DNA (form II caused by the copper complex itself and (ii damage of DNA by Reactive Oxygen Species (ROS—products of the interaction of copper with hydrogen peroxide by means of Fenton reaction (hydroxyl radicals. Thus the biological activity of the prepared Cu(II complexes containing derivatives of salicylic acid and phenanthroline molecules is substantiated by two independent mechanisms. While derivatives of salicylic acids in the coordination sphere of copper complexes are responsible for radical-scavenging activity (predominantly towards superoxide radical anion, the presence of chelating ligand 2,9-dimethyl-1,10-phenanthroline

  18. Synthesis, structural characterization and biological studies of some nalidixic acid-metal complexes: Metalloantibiotic complexes of some divalent and trivalent metal ions

    Science.gov (United States)

    Al-Khodir, Fatima A. I.; Refat, Moamen S.

    2015-08-01

    This article describes the synthesis, characterization, computational and biological assessments of some divalent and trivalent metal (Ca(II), Fe(III), Pd(II) and Au(III)) complexes of nalidixic acid (nixH). The structures of these complexes were assigned using elemental analyses and spectral measurements e.g., IR, Raman, 1H NMR, 13C NMR and electronic techniques. These results indicated that, nalidixic acid reacts as a bidentate ligand bound to the metal ion through the oxygen atoms of carbonyl and carboxylate groups. The molar conductance measurements of the complexes in DMSO correspond to be non-electrolyte nature. Thus, these complexes may be formulated as [Ca(nix)(Cl)(H2O)3]. H2O, [Fe(nix)(Cl)2(H2O)2]·3H2O, [Pd(nix)(Cl)(H2O)] and [Au(nix)(Cl)2]. Base on the Coats-Redfern and Horowitz-Metzeger methods, the kinetic thermodynamic parameters (E∗, ΔS∗, ΔH∗ and ΔG∗) of the thermal decomposition reactions have been calculated from thermogravimetric curves of TG and DTG. The nano-scale range of the nalidixic acid complexes have been discussed using X-ray powder diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscopy (TEM) analyzer. The computational studies for the synthesized complexes have been estimated.

  19. Synthesis, spectral studies and biological evaluation of 2-aminonicotinic acid metal complexes

    Science.gov (United States)

    Nawaz, Muhammad; Abbasi, Muhammad Waseem; Hisaindee, Soleiman; Zaki, Muhammad Javed; Abbas, Hira Fatima; Mengting, Hu; Ahmed, M. Arif

    2016-05-01

    We synthesized 2-aminonicotinic acid (2-ANA) complexes with metals such as Co(II), Fe(III), Ni(II), Mn(II), Zn(II), Ag(I),Cr(III), Cd(II) and Cu(II) in aqueous media. The complexes were characterized and elucidated using FT-IR, UV-Vis, a fluorescence spectrophotometer and thermo gravimetric analysis (TGA). TGA data showed that the stoichiometry of complexes was 1:2 metal/ligand except for Ag(I) and Mn(II) where the ratio was 1:1. The metal complexes showed varied antibacterial, fungicidal and nematicidal activities. The silver and zinc complexes showed highest activity against Bacillus subtilis and Bacillus licheniformis respectively. Fusarium oxysporum was highly susceptible to nickel and copper complexes whereas Macrophomina phaseolina was completely inert to the complexes. The silver and cadmium complexes were effective against the root-knot nematode Meloidogyne javanica.

  20. Application of Biologically-Based Lumping To Investigate the Toxicological Interactions of a Complex Gasoline Mixture

    Science.gov (United States)

    People are often exposed to complex mixtures of environmental chemicals such as gasoline, tobacco smoke, water contaminants, or food additives. However, investigators have often considered complex mixtures as one lumped entity. Valuable information can be obtained from these exp...

  1. Spectral, NLO, Fluorescence, and Biological Activity of Knoevenagel Condensate of β-Diketone Ligands and Their Metal(II Complexes

    Directory of Open Access Journals (Sweden)

    S. Sumathi

    2011-01-01

    Full Text Available Transition metal complexes of various acetylacetone-based ligands of the type ML (where M=  Cu(II, Ni(II, Co(II; L=  3-(aryl-pentane-2,4-dione have been synthesized. The structural features have been derived from their elemental analysis, magnetic susceptibility, molar conductance, IR, UV-Vis, H1NMR, mass and ESR spectral studies. Conductivity measurements reveal that all the complexes are nonelectrolytic in nature. Spectroscopic and other analytical data of the complexes suggest square planar geometry for copper(II, cobalt(II, and nickel(II complexes of 3-(3-phenylallylidenepentane-2,4-dione and octahedral geometry for other metal(II complexes. The redox behaviors of the copper(II complexes have been studied by cyclic voltammetry. The free ligands and their metal complexes have been screened for their in vitro biological activities against bacteria and fungus. The metal(II complexes are found to possess increased activities compared to those of the free ligands. All synthesized compounds may serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The second harmonic generation (SHG efficiency of the ligands was found to have considerable effect compared to that of urea and KDP.

  2. Palladium(II) complexes as biologically potent metallo-drugs: Synthesis, spectral characterization, DNA interaction studies and antibacterial activity

    Science.gov (United States)

    Prasad, Kollur Shiva; Kumar, Linganna Shiva; Chandan, Shivamallu; Naveen Kumar, R. M.; Revanasiddappa, Hosakere D.

    2013-04-01

    Four novel mononuclear Pd(II) complexes have been synthesized with the biologically active Schiff base ligands (L1-L4) derived from 3-amino-2-methyl-4(3H)-quinazolinone. The structure of the complexes has been proposed by elemental analysis, molar conductance, IR, 1H NMR, mass, UV-Vis spectrometric and thermal studies. The investigation of interaction of the complexes with calf thymus DNA (CT-DNA) has been performed with absorption and fluorescence spectroscopic studies. The nuclease activity was done using pUC19 supercoiled DNA by gel-electrophoresis. All the ligands and their Pd(II) complexes have also been screened for their antibacterial activity by discolor diffusion technique.

  3. Structural characterization and biological evaluation of a clioquinol-ruthenium complex with copper-independent antileukaemic activity.

    Science.gov (United States)

    Gobec, Martina; Kljun, Jakob; Sosič, Izidor; Mlinarič-Raščan, Irena; Uršič, Matija; Gobec, Stanislav; Turel, Iztok

    2014-06-28

    In this study, we present the synthesis, biological characterization, and first crystal structure of an organometallic-clioquinol complex. Combining ruthenium with the established apoptotic agent and 8-hydroxyquinoline derivative, clioquinol, resulted in a complex that induces caspase-dependent cell death in leukaemia cells. This activity is copper independent and is improved compared to the parent compound, clioquinol. The study of the mode of action reveals that this clioquinol-ruthenium complex does not intercalate between DNA base pairs. Additionally, this clioquinol-ruthenium complex shows proteasome-independent inhibition of the NFκB signalling pathway, with no effects on cell-cycle distribution. These data suggest a mechanism of action that involves a target profile that is different from that for clioquinol alone.

  4. Biological properties of aerococci and bacilli as a component of new associate-probiotic complex

    Directory of Open Access Journals (Sweden)

    S. I. Valchuk

    2015-03-01

    Full Text Available Dysbioses of the gastrointestinal tract are common among people of all ages and genders. Development of this pathology is associated with a number of complications, from indigestion to occurrence of malignant disease. Therefore, there is a need in development of measures of their prevention and correction. Probiotics are used as drugs against dysbiosis. Most of the presently known probiotics contain bacterial cells of one species, although combination preparations feature higher efficiency. At the same time, there are difficulties in construction of these drugs, primarily due to incompatibility of physiological properties of microorganisms and mutually antagonistic action of their components. The aim was to examine the compatibility of Bacillus subtilis and Aerococcus viridans in a single preparation, their antagonistic activity against different strains of test-cultures and general antagonism directed on different groups of bacteria for subsequent formation of associative probiotic complex. Properties of aerococci strains were studied and A. viridans 167 strain was selected for inclusion into the probiotic preparation. The tested strain showed the highest indicators of production of hydrogen peroxide, which is one of the mechanisms of antagonistic effect against opportunistic pathogens. General study of biological properties of aerococci strains showed that producing of hydrogen peroxide and superoxide radical in them was conditioned by functioning of NAD-independent lactatoxidase. It has been determined that antioxidant defense of aerococci from the action of endogenous and active excretable forms of oxygen was provided by activity of superoxide-dismutase and GSH-peroxidase. The method of deferred antagonism found no depressing mutual action between probiotic strains of B. subtilis 3 and A. viridans 167 at their joint cultivation. Inhibition of growth at the joint application of A. viridans 167 and B. subtilis 3 strains was recorded for both

  5. Process Simulation of Complex Biological Pathways in Physical Reactive Space and Reformulated for Massively Parallel Computing Platforms.

    Science.gov (United States)

    Ganesan, Narayan; Li, Jie; Sharma, Vishakha; Jiang, Hanyu; Compagnoni, Adriana

    2016-01-01

    Biological systems encompass complexity that far surpasses many artificial systems. Modeling and simulation of large and complex biochemical pathways is a computationally intensive challenge. Traditional tools, such as ordinary differential equations, partial differential equations, stochastic master equations, and Gillespie type methods, are all limited either by their modeling fidelity or computational efficiency or both. In this work, we present a scalable computational framework based on modeling biochemical reactions in explicit 3D space, that is suitable for studying the behavior of large and complex biological pathways. The framework is designed to exploit parallelism and scalability offered by commodity massively parallel processors such as the graphics processing units (GPUs) and other parallel computing platforms. The reaction modeling in 3D space is aimed at enhancing the realism of the model compared to traditional modeling tools and framework. We introduce the Parallel Select algorithm that is key to breaking the sequential bottleneck limiting the performance of most other tools designed to study biochemical interactions. The algorithm is designed to be computationally tractable, handle hundreds of interacting chemical species and millions of independent agents by considering all-particle interactions within the system. We also present an implementation of the framework on the popular graphics processing units and apply it to the simulation study of JAK-STAT Signal Transduction Pathway. The computational framework will offer a deeper insight into various biological processes within the cell and help us observe key events as they unfold in space and time. This will advance the current state-of-the-art in simulation study of large scale biological systems and also enable the realistic simulation study of macro-biological cultures, where inter-cellular interactions are prevalent.

  6. Efficient modeling, simulation and coarse-graining of biological complexity with NFsim.

    Science.gov (United States)

    Sneddon, Michael W; Faeder, James R; Emonet, Thierry

    2011-02-01

    Managing the overwhelming numbers of molecular states and interactions is a fundamental obstacle to building predictive models of biological systems. Here we introduce the Network-Free Stochastic Simulator (NFsim), a general-purpose modeling platform that overcomes the combinatorial nature of molecular interactions. Unlike standard simulators that represent molecular species as variables in equations, NFsim uses a biologically intuitive representation: objects with binding and modification sites acted on by reaction rules. During simulations, rules operate directly on molecular objects to produce exact stochastic results with performance that scales independently of the reaction network size. Reaction rates can be defined as arbitrary functions of molecular states to provide powerful coarse-graining capabilities, for example to merge Boolean and kinetic representations of biological networks. NFsim enables researchers to simulate many biological systems that were previously inaccessible to general-purpose software, as we illustrate with models of immune system signaling, microbial signaling, cytoskeletal assembly and oscillating gene expression.

  7. Introduction to symposium: Arthropods and wildlife conservation: synergy in complex biological systems

    Science.gov (United States)

    The symposium will discuss the effects of arthropods and other stressors on wildlife conservation programs. Speakers with affiliations in wildlife biology, parasitology and entomology will be included in the program. Research of national and international interest will be presented....

  8. A preliminary biological assessment of Long Lake National Wildlife Refuge Complex, North Dakota

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This report represents an initial biological assessment of wetland conditions on Long Lake National Wildlife Refuge (NWR), Slade NWR, and Florence Lake NWR that was...

  9. Synthesis, physico-chemical characterization and biological activity of 2-aminobenzimidazole complexes with different metal ions

    Directory of Open Access Journals (Sweden)

    Podunavac-Kuzmanović Sanja O.

    2004-01-01

    Full Text Available Complexes of 2-aminobenzimidazole (L with nitrates of cobalt(II nickel(II, copper (II, zinc(II and silver(I were synthesized. The molar ratio metal:ligand in the reaction of the complex formation was 1:2. It should be noticed, that the reaction of all the metal salts yielded bis(ligand complexes of the general formula M(L2(NO32 × nH2O (M=Co, Ni Cu, Zn or Ag; n=0, 1, 2 or 6. The complexes were characterized by elemental analysis of the metal, molar conductivity, magnetic susceptibility measurements and IR spectra. Co(II, Ni(II and Cu(II complexes behave as non-electrolytes, whilst Zn(II and Ag(I are 1:1 electrolytes. Cu(II complex has a square-planar stereochemistry, Ag(I complex is linear, whilst the Co(II, Ni(II and Zn(II complexes have a tetrahedral configuration. In all the complexes ligand is coordinated by participation of the pyridine nitrogen of the benzimidazole ring. The antimicrobial activity of the ligand and its complexes against Pseudomonas aeruginosa, Bacillus sp. Staphylococcus aureus and Saccharomyces cerevisiae was investigated. The effect of metal on the ligand antimicrobial activity is discussed.

  10. Synthesis, characterization and biological profile of metal and azo-metal complexes of embelin

    Directory of Open Access Journals (Sweden)

    R. Aravindhan

    2014-12-01

    Full Text Available The present study emphasizes synthesis and bioprofiling of embelin, embelin-metal (EM and embelin-azo-metal (EAM complexes in detail. EM complexes were prepared using pure embelin and d-block transition elements, namely Mn, Fe, Co, Ni, Cu, and Zn. Similarly, EAM complexes were synthesized using phenyl azo-embelin with the said transition metals. Embelin, EM, and EAM complexes were subjected to ultra violet visible spectroscopy, Fourier transform infrared spectroscopy, nuclear magnetic resonance, electrospray ionization mass spectrometry, thermogravimetric analysis, carbon hydrogen nitrogen sulfur analysis. With regard to bioprofiling, the test complexes were studied for the antioxidant and antimicrobial activities. Results revealed that the prepared EM and EAM complexes form octahedral complexes with embelin with the yield in the range of 45–75%. All the instrumental analyses authenticate the interaction of metals with bidentate embelin through its enolic and quinonic oxygen atoms as [M(Emb2(H2O2]H2O and [M(Emb-Azo2(H2O2]. The antioxidant profile studies suggested that upon complexation with metals, the free radical scavenging activity of embelin reduced significantly. But, with regard to antimicrobial activity, cobalt and nickel embelin complexes displayed>80% growth inhibition in comparison with embelin alone. The hemolytic activity studies suggested that both embelin and the metal complexes are non-hemolytic. The reason for the reduction in antioxidant and an increase in antimicrobial activities were discussed in detail.

  11. Syntheses, structural elucidation, thermal properties, theoretical quantum chemical studies (DFT and biological studies of barbituric–hydrazone complexes

    Directory of Open Access Journals (Sweden)

    Amina A. Soayed

    2015-03-01

    Full Text Available Condensation of barbituric acid with hydrazine hydrate yielded barbiturichydrazone (L which was characterized using IR, 1H NMR and mass spectra. The Co(II, Ni(II and Cu(II complexes derived from this ligand have been synthesized and structurally characterized by elemental analyses, spectroscopic methods (IR, UV–Vis and ESR and thermal analyses (TGA, DTG and DTA and the structures were further elucidated using quantum chemical density functional theory. Complexes of L were found to have the ML.nH2O stoichiometry with either tetrahedral or octahedral geometry. The ESR data showed the Cu(II complex to be in a tetragonal geometry. Theoretical investigation of the electronic structure of metal complexes at the TD-DFT/B3LYP level of theory has been carried out and discussed. The fundamental vibrational wavenumbers were calculated and a good agreement between observed and scaled calculated wavenumbers was achieved. Thermal studies were performed to deduce the stabilities of the ligand and complexes. Thermodynamic parameters, such as the order of reactions (n, activation energy ΔE∗, enthalpy of reaction ΔH∗ and entropy ΔS∗ were calculated from DTA curves using Horowitz–Metzger method. The ligand L and its complexes have been screened for their antifungal and antibacterial activities and were found to possess better biological activities compared to those of unsubstituted barbituric acid complexes.

  12. Influence of the nucleobase on the physicochemical characteristics and biological activities of Sb{sup V}-ribonucleoside complexes

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Claudio S.; Demicheli, Cynthia, E-mail: demichel@netuno.lcc.ufmg.b [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Quimica; Rocha, Iara C.M. da; Melo, Maria N. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Parasitologia; Monte Neto, Rubens L.; Frezard, Frederic [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Fisiologia e Biofisica

    2010-07-01

    The influence of the nucleobase (uracyl, U; cytosine, C; adenine, A; guanine, G) on the physicochemical characteristics and in vitro biological activities of Sb{sup V}-ribonucleoside complexes has been investigated. The 1:1 Sb-U and Sb-C complexes were characterized by NMR and ESI-MS spectroscopies and elemental analysis. The stability constant and the apparent association and dissociation rate constants of 1:1 Sb{sup V}-U, Sb{sup V}-C and Sb{sup V}-A complexes were determined. Although Sb{sup V} most probably binds via oxygen atoms to the same 2' and 3' positions in the different nucleosides, the ribose conformational changes and the physicochemical characteristics of the complex depend on the nucleobase. The nucleobase had a strong influence on the cytotoxicity against macrophages and the antileishmanial activity of the Sb{sup V}-ribonucleoside complexes. The Sb{sup V}-purine complexes were more cytotoxic and more effective against Leishmania chagasi than the Sb{sup V}-pyrimidine complexes, supporting the model that the interaction of Sb{sup V} with purine nucleosides may mediate the antileishmanial activity of pentavalent antimonial drugs. (author)

  13. Synthesis, spectral, thermal and antimicrobial studies of some new tri metallic biologically active ceftriaxone complexes.

    Science.gov (United States)

    Ali, Alaa E

    2011-01-01

    Iron, cobalt, nickel and copper complexes of ceftriaxone were prepared in 1:3 ligand:metal ratio to examine the ligating properties of the different moieties of the drug. The complexes were found to have high percentages of coordinated water molecules. The modes of bonding were discussed depending on the infrared spectral absorption peaks of the different allowed vibrations. The Nujol mull electronic absorption spectra and the magnetic moment values indicated the Oh geometry of the metal ions in the complexes. The ESR spectra of the iron, cobalt, and copper complexes were determined and discussed. The thermal behaviors of the complexes were studied by TG and DTA techniques. The antimicrobial activities of the complexes were examined and compared to that of the ceftriaxone itself.

  14. Synthesis, structural characterization and biological studies of copper complexes with 2-aminobenzothiazole derivatives

    Science.gov (United States)

    Joseph, J.; Boomadevi Janaki, G.

    2014-04-01

    Novel copper complexes of 2-aminobenzothiazole derivatives were synthesized by the condensation of Knoevenagel condensate acetoacetanilide (obtained from substituted benzaldehydes and acetoacetanilide) and 2-aminobenzothiazole. They were thoroughly characterized by elemental analysis, IR, 1H NMR, UV-Vis., MS Spectra, molar conductance, magnetic moment and electrochemical studies. These spectral studies suggested that distorted square planar geometry for all the complexes. Molar conductance data and magnetic susceptibility measurements provide evidence for monomeric and neutral nature of the complexes. The electrochemical behaviour of the ligand and complexes in DMSO at 298 K was studied. The present ligand systems stabilize the unusual oxidation states of copper ion during electrolysis. Antibacterial screening of the ligands and their complexes reveal that all the complexes show higher activities than the free ligands.

  15. Synthesis, spectroscopic characterisation, biological and DNA cleavage properties of complexes of nicotinamide

    Directory of Open Access Journals (Sweden)

    C. Surendra Dilip

    2016-09-01

    Full Text Available Transition metal complexes of nicotinamide with metal precursors such as Cr(III, Mn(II, Fe(III, Co(II, Ni(II, Cu(II and Cd(II, were synthesized and characterised by physico-chemical and spectroscopic techniques. Based on analytical, spectral and magnetic moments, all the complexes are identified as distorted octahedral in structure. All the complexes are of the ML14L22 type. The shifts of the ν (CN (azomethine and ν (CO (amide stretches have been monitored in order to find out the donor sites of the ligands. Antibacterial and antifungal activities of the complexes were studied and the complexes were screened against bacteria and fungi. The activity data show that the metal complexes are more potent than the parent nicotinamide.

  16. Palladium polypyridyl complexes: synthesis, characterization, DNA interaction and biological activity on Leishmania (L.) mexicana

    Energy Technology Data Exchange (ETDEWEB)

    Navarro, Maribel [Instituto Venezolano de Investigaciones Cientificas, Caracas (Venezuela). Centro de Quimica; Betancourt, Adelmo [Universidad de Carabobo, Valencia (Venezuela). Facultad Experimental de Ciencia y Tecnologia. Dept. de Quimica; Hernandez, Clara [Universidad de Carabobo Sede Aragua, Maracay (Venezuela). Facultad de Ciencias de la Salud. Dept. de Ciencias Basicas; Marchan, Edgar [Universidad de Oriente, Cumana (Venezuela). Inst. de Investigaciones en Biomedicina y Ciencias Aplicadas. Nucleo de Sucre

    2008-07-01

    This paper describes the search for new potential chemotherapeutic agents based on transition metal complexes with planar ligands. In this study, palladium polypyridyl complexes were synthesized and characterized by elemental analysis, NMR, UV-VIS and IR spectroscopies. The interaction of the complexes with DNA was also investigated by spectroscopic methods. All metal-to-ligand charge transfer (MLCT) bands of the palladium polypyridyl complexes exhibited hypochromism and red shift in the presence of DNA. The binding constant and viscosity data suggested that the complexes [PdCl{sub 2}(phen)] and [PdCl{sub 2}(phendiamine)] interact with DNA by electrostatic forces. Additionally, these complexes induced an important leishmanistatic effect on L. (L.) mexicana promastigotes at the final concentration of 10 {mu}mol L{sup -1} in 48 h. (author)

  17. Synthesis, Characterization and Biological Activity of an Intramolecular Stacking Zinc(Ⅱ) Complex

    Institute of Scientific and Technical Information of China (English)

    GAO, Enjun; LIU, Lei; ZHU, Mingchang; WU, Qiong

    2009-01-01

    The synthesis, crystallographic analysis and spectroscopic study of a zinc(Ⅱ) complex [Zn(bipy)(pmal)(H2O)]· 2H2O (bipy=2,2'-bipyfidine, pmal=phenylmalonic acid) were carded out. The complex has been investigated by the methods of X-ray crystallography, elemental analysis and IR spectra. The binding ability of the Zn(Ⅱ) complex to calf thymus (CT-DNA) was characterized by measuring the effects on the UV spectroscopy and fluorescence spectra of DNA. The agarose gel electrophoresis experimental results suggest that the ligand planaxity of complex has a significant effect on cleaving the pBR322 plasmid DNA.

  18. Preparation and primary biological evaluation of novel nitrido-188Re complexes/lipiodol

    Institute of Scientific and Technical Information of China (English)

    WANG Guanquan; WEI Hongyuan; LUO Shunzhong; HE Jiaheng; YANG Yuqing; WANG Wenjin; XIONG Xiaoling

    2008-01-01

    Two new nitrido-188Re complexes were prepared by a modified method in high yield.These complexes were stable in vitro.The biodistribution in normal mice showed that these nitrido-188Re complexes could accumulate in liver and dissipate quickly from almost all organs.TAE was performed with the use of lipiodol solutions of two complexes to rabbit VX2 liver tumor models.SPECT images showed that the two lipiodol solutions could remain in tumor for about 9 h (188ReN-NEPTDD/lipiodol) and 12 h (188ReN-NEMMPTDD/Iipiodol),respectively.

  19. Synthesis, characterization and biological activity of symmetric dinuclear complexes derived from a novel macrocyclic compartmental ligand

    Energy Technology Data Exchange (ETDEWEB)

    Mruthyunjayaswamy, B.H.M.; Ijare, Omkar B.; Jadegoud, Y. [Gulbarga University (India). Dept. of Chemistry]. E-mail: bhmmswamy53@rediffmail.com

    2005-07-15

    A phenol based novel macrocyclic binucleating compartmental ligand N,N-bis(2,6-diiminomethyl-4-methyl-1-hydroxyphenyl)malonoyldicarboxamide was prepared. The complexes were prepared by template method by reacting 2,6-diformyl-4-methylphenol, malonoyl dihydrazide and the metal chlorides of Cu(II), Ni(II), Co(II), Cd(II), Zn(II) and Hg(II) in methanol to get a series of dinuclear complexes. The complexes were characterized by elemental analyses, conductivity measurements, magnetic susceptibility data, IR, UV-Vis, ESR, NMR and FAB mass spectral data. The dinuclear nature of the complexes was confirmed on the basis of elemental analyses, magnetic susceptibility, ESR and FAB mass spectral data. The ligand as well as Cu(II), Ni(II), Co(II) and Zn(II) complexes were tested for their antibacterial and antifungal properties against Escherichia coli, Staphyloccocus aureus, Aspergillus niger and Fusarium oxysporum. Magnetic susceptibility measurements of Cu(II), Ni(II) and Co(II) complexes reveal that these complexes exhibit antiferromagnetic coupling behavior due to the presence of two metal ions in close proximity. FAB mass spectrum of the Cu(II) complex gave a clear evidence for the dinuclear nature. The ligand and the complexes were found to be less active against the tested bacteria, but the ligand alone was found active against the fungus Fusarium oxysporum. (author)

  20. Cytotoxicity of cis-platinum(II) cycloaliphatic amidine complexes: Ring size and solvent effects on the biological activity.

    Science.gov (United States)

    Marzano, Cristina; Sbovata, Silvia Mazzega; Gandin, Valentina; Michelin, Rino A; Venzo, Alfonso; Bertani, Roberta; Seraglia, Roberta

    2009-08-01

    A series of new platinum(II) amidine derivatives of the type cis-[PtCl(2){Z-NHC(NHR)Me}(2)] (R=cyclopropyl, 1; cyclopentyl, 2; cyclohexyl, 3) were prepared in high yield by addition of the corresponding cyclic aliphatic amine RNH(2) to the coordinated acetonitrile ligands in cis-[PtCl(2)(NCMe)(2)]. The solution behaviour of 1-3 has been studied in DMSO, PEG 400 (polyethylene glycol) and PEG-DME 500 (polyethylene glycol dimethylether). The amidine complexes 1-3 were evaluated for their cytotoxic properties against a panel of human tumor cell lines containing examples of cervix (HeLa), breast (MCF7), lung (A549) and colon (HCT-15) cancer. Moreover, the amidine complexes were tested for their cytotoxicity against normal human fibroblasts (HFF-1). For comparison purposes, the cytotoxicity of cisplatin was examined under the same experimental conditions. The results obtained showed that PEG and PEG-DME behave as good solvents to carry out biological assays with platinum complexes which are water-insoluble and unstable in DMSO. Complexes 2 and 3 exhibited a biological activity comparable to that of cisplatin.

  1. Novel Bis-β-diketone-type Ligand and Its Copper and Zinc Complexes for Two-photon Biological Imaging

    Institute of Scientific and Technical Information of China (English)

    ZHOU Shuang-sheng; XUE Xuan; WEI Dong; JIANG Bo; WANG Jia-feng; LU Cheng-hua

    2012-01-01

    A curcumin derivative ligand,1,7-bis(3-methoxyl-4-oxyethylacetate)phenyl-1,6-heptadiene-3,5-diketone (diethyl acetatecurcumin,abbreviated as HL),and its Cu(Ⅱ) and Zn(Ⅱ) complexes have been synthesized and characterized by elemental analyses,infrared(IR),1H NMR and molar conductivity.The experimental results show that the resulting complexes bear strong two-photon excited fluorescence(TPEF) in N,N-dimethyformamide solvent,which has been proven to be potentially useful for two-photon microscopy imaging in living cells.In addition,cytotoxicity tests show that the low-micromolar concentrations of metal-ligand complex(ML2) did not cause significant reduction in cell viability over a pcriod of,at least,24 h and should be safe for further biological studies.

  2. Synthesis, Structural Characterization, and Biological Activity Studies of Ni(II and Zn(II Complexes

    Directory of Open Access Journals (Sweden)

    Palakuri Kavitha

    2014-01-01

    Full Text Available Ni(II and Zn(II complexes were synthesized from tridentate 3-formyl chromone Schiff bases such as 3-((2-hydroxyphenyliminomethyl-4H-chromen-4-one (HL1, 2-((4-oxo-4H-chromen-3-ylmethylneaminobenzoic acid (HL2, 3-((3-hydroxypyridin-2-yliminomethyl-4H-chromen-4-one (HL3, and 3-((2-mercaptophenyliminomethyl-4H-chromen-4-one (HL4. All the complexes were characterized in the light of elemental analysis, molar conductance, FTIR, UV-VIS, magnetic, thermal, powder XRD, and SEM studies. The conductance and spectroscopic data suggested that, the ligands act as neutral and monobasic tridentate ligands and form octahedral complexes with general formula [M(L1–42]·nH2O (M = Ni(II and Zn(II. Metal complexes exhibited pronounced activity against tested bacteria and fungi strains compared to the ligands. In addition metal complexes displayed good antioxidant and moderate nematicidal activities. The cytotoxicity of ligands and their metal complexes have been evaluated by MTT assay. The DNA cleavage activity of the metal complexes was performed using agarose gel electrophoresis in the presence and absence of oxidant H2O2. All metal complexes showed significant nuclease activity in the presence of H2O2.

  3. Synthesis, physical characterization and biological evaluation of Schiff base M(II complexes

    Directory of Open Access Journals (Sweden)

    Mahasin Alias

    2014-04-01

    Full Text Available Metal (II complexes of Cu, Ni, and Co with Schiff base derived from potassium 2-N (4-N,N-dimethylaminobenzyliden- 4-trithiocarbonate 1,3,4-thiadiazole (L were synthesized and characterized by standard physico-chemical procedures i.e. (metal analysis A.A, elemental chemical analysis C.H.N.S, FTIR, UV–vis, thermal analysis TGA, magnetic susceptibility and conductometric measurements. On the basis of these studies, a six coordinated octahedral geometry for all these complexes has been proposed. The Schiff base ligand and its complexes were also tested for their antibacterial activity to assess their inhibiting potential against Pseudomonas aeruginosa (as gram negative bacteria and Staphylococcus aureus (as gram positive bacteria using two different concentrations (5 and 10 mM. The results showed the Ni(II complex have the higher rate in antibacterial activity than other complexes and ligand when compared them with ampicillin as standard drug.

  4. Design, synthesis, and biological properties of triazole derived compounds and their transition metal complexes.

    Science.gov (United States)

    Chohan, Zahid H; Hanif, Muhammad

    2010-10-01

    Triazole derived Schiff bases and their metal complexes (cobalt(II), copper(II), nickel(II), and zinc(II)) have been prepared and characterized using IR, (1)H and (13)C NMR, mass spectrometry, magnetic susceptibility and conductivity measurements, and CHN analysis data. The structure of L(2), N-[(5-methylthiophen-2-yl)methylidene]-1H-1,2,4-triazol-3-amine, has also been determined by the X-ray diffraction method. All the metal(II) complexes showed octahedral geometry except the copper(II) complexes, which showed distorted octahedral geometry. The triazole ligands and their metal complexes have been screened for their in vitro antibacterial, antifungal, and cytotoxic activity. All the synthesized compounds showed moderate to significant antibacterial activity against one or more bacterial strains. It is revealed that all the synthesized complexes showed better activity than the ligands, due to coordination.

  5. Synthesis, characterisation and biological evaluation of copper and silver complexes based on acetylsalicylic acid.

    Science.gov (United States)

    Rubner, Gerhard; Bensdorf, Kerstin; Wellner, Anja; Bergemann, Silke; Gust, Ronald

    2011-10-01

    Metalcarbonyl complexes with ligands derived from acetylsalicylic acid demonstrated high cytotoxic potential against various tumor cell lines and strong inhibition of the cyclooxygenase enzymes COX-1 and 2. In this study we tried to achieve comparable effects with [alkyne]silver or copper trifluoromethanesulfonate complexes which are more hydrophilic then the uncharged metalcarbonyl derivatives. All compounds were evaluated for growth inhibition against breast (MCF-7, MDA-MB 231) and colon cancer (HT-29) cell lines and for COX-1 and COX-2 inhibitory effects at isolated isoenzymes. Pure ligands showed neither cytotoxic nor COX-inhibitory effects. While the silver complexes of (but-2-ynyl)-2-acetoxybenzoate (But-ASS-Ag) and (but-2-yne-1,4-diyl)-bis(2-acetoxybenzoate) (Di-ASS-But-Ag) were strong cytostatics, only the copper complex Di-ASS-But-Cu was active. At the COX enzymes the complexes were more effective than their ligands and aspirin.

  6. A series of Nano-sized metal ion – thiouracil complexes, tem, spectral, γ- irradiation, molecular modelingand biological studies

    Directory of Open Access Journals (Sweden)

    Khlood Saad Abou- Melha

    2015-12-01

    Full Text Available VO(II, Ni(II, Pd(II, Pt(IV and UO2(II complexes were prepared using H5L ligand (C21H15N9S2O3S2. All the prepared complexes are deliberately discussed using different tools(IR, Uv-Vis, 1HNMR, ESR 13CNMR, TGA, TEM, XRD.The octadentate is the main mod of ligand donation, as a neural or trinegativetowards the metal ion. This is verified using molecular modeling as a theoretical tool assert on the stereo structure of the ligand proposed leads to the donation mod. The structural formulas of the complexes were varied in between four to six coordination no. except the VO(II complex is five. Most investigated complexes are thermally unstable due to the presence of crystal water occluded the coordinating crystal. All the spin Hamiltonian parameters as well as molecular orbital parameters were calculated for VO(II complex. XRD patterns were investigated to calculate the particle size of each compound and display their nanosized by distinguish values. TEM scenes are also supporting the XRD data. Finally the biological activities were carried out on different bacteria as well as on fungi. The toxic effect was observed especially with Gram positive bacterium (Bacillus subtilis. Also, the effect on DNA degradation was recorded and display a complete degradation by the use of Pt(IV and Pd(II complexes. Whereas, a partial degradation was observed with Ni(II and UO2(II complexes. But, there is no effect observed with the use of ligand and VO(II complex.

  7. Co(II) and Cd(II) complexes derived from heterocyclic Schiff-Bases: synthesis, structural characterisation, and biological activity.

    Science.gov (United States)

    Ahmed, Riyadh M; Yousif, Enaam I; Al-Jeboori, Mohamad J

    2013-01-01

    New monomeric cobalt and cadmium complexes with Schiff-bases, namely, N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]furan-2-carbohydrazide (L¹) and N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]thiophene-2-carbohydrazide (L²) are reported. Schiff-base ligands L¹ and L² were derived from condensation of 3-hydroxy-4-methoxybenzaldehyde (iso-vanillin) with furan-2-carboxylic acid hydrazide and thiophene-2-carboxylic acid hydrazide, respectively. Complexes of the general formula [M(L)₂]Cl₂ (where M = Co(II) or Cd(II), L = L¹ or L²) have been obtained from the reaction of the corresponding metal chloride with the ligands. The ligands and their metal complexes were characterised by spectroscopic methods (FTIR, UV-Vis, ¹H, and ¹³C NMR spectra), elemental analysis, metal content, magnetic measurement, and conductance. These studies revealed the formation of four-coordinate complexes in which the geometry about metal ion is tetrahedral. Biological activity of the ligands and their metal complexes against gram positive bacterial strain Bacillus (G+) and gram negative bacteria Pseudomonas (G-) revealed that the metal complexes become less resistive to the microbial activities as compared to the free ligands.

  8. Synthesis, spectroscopic, coordination and biological activities of some organometallic complexes derived from thio-Schiff base ligands

    Science.gov (United States)

    Abou-Hussein, Azza A.; Linert, Wolfgang

    2014-01-01

    Two series of mono- and binuclear complexes cyclic or acyclic thio-ferocine Schiff base ligands, derived from the condensation of 2-aminobenzenthiol (L) with monoacetyl ferrocene in the molar ratio 1:1 or in the molar ratio 1:2 for diacetyl ferocine have been prepared. The condensation reactions yield the corresponding Schiff Base ligands, HLa-Maf and H2Lb-Daf. The chelation of the ligands to metal ions occurs through the sulfur of the thiol group as well as the nitrogen atoms of the azomethine group of the ligands. HLa-Maf acts as monobasic bidentate or dibasic tetradentate, while H2Lb-Daf behaves as twice negatively cargend tetradentate ligand. The structures of these ligands were elucidated by elemental analysis, infrared, ultraviolet-visible spectra, as well as 1H NMR spectra. Reactions of the Schiff bases ligands with ruthenium(III), oxovanadium(IV) and dioxouranium(VI) afforded the corresponding transition metal complexes. The properties of the newly prepared complexes were analyse by elemental analyses, infrared, electronic spectra, 1H NMR as well as the magnetic susceptibility and conductivity measurement. The metal complexes exhibits different geometrical arrangements such as octahedral and square pyramidal coordination. Schiff base ligands and their metal complexes were tested against two pathogenic bacteria as Gram-positive and Gram-negative bacteria as well as one kind of fungi to study their biological activity. All the complexes exhibit antibacterial and antifungal activities against these organisms.

  9. Synthesis, biological evaluation and SAR studies of novel bicyclic antitumor platinum(IV) complexes.

    Science.gov (United States)

    Lorenzo, Julia; Delgado, Aida; Montaña, Ángel M; Mesas, Juan M; Alegre, María-Teresa; Rodríguez, María del Carmen; Avilés, Francesc-Xavier

    2014-08-18

    The present study describes the synthesis, anticancer activity and SAR studies of novel platinum(IV) complexes having 1,2-bis(aminomethyl)carbobicyclic or oxabicyclic carrier ligands, bearing chlorido and/or hydroxido ligands in axial position and chlorido or malonato ligands in equatorial position (labile ligands). These complexes were synthetized with the aim of obtaining new anticancer principles more soluble in water and therefore more bioavailable. Several substitution patterns on the platinum atom have been designed in order to evaluate their antiproliferative activity and to establish structure-activity relationship rules. The synthesis of platinum(IV) complexes with axial hydroxyl ligands on the platinum(IV) were carried out by reaction of K2Pt(OH)2Cl4 with the corresponding diamines. The complexes with axial chlorido ligands on the platinum(IV) atom were synthesized by direct reaction of diamines with K2PtCl6. Carboxylated complexes were synthesized by the substitution reaction of equatorial chlorido ligands by silver dicarboxylates. The most actives complexes were those having malonate as a labile ligand, no matter of the structure of the carrier ligand. Regarding the influence of the structure of the non-labile 1,4-diamine carrier ligand on the cytotoxicity, it was found that the complexes having the more lipophilic and symmetrical bicyclo[2.2.2]octane framework were much more active than those having an oxygen or methylene bridge.

  10. Measuring the complex permittivity tensor of uniaxial biological materials with coplanar waveguide transmission line

    Science.gov (United States)

    A simple and accurate technique is described for measuring the uniaxial permittivity tensor of biological materials with a coplanar waveguide transmission-line configuration. Permittivity tensor results are presented for several chicken and beef fresh meat samples at 2.45 GHz....

  11. Lanthanide Complexes of Substituted β-Diketone Hydrazone Derivatives: Synthesis, Characterization, and Biological Activities.

    Science.gov (United States)

    Hegazy, W H; Al-Motawaa, I H

    2011-01-01

    A series of β-diketone hydrazone derivatives have been synthesized through condensation of β-diketone with aromatic aldehydes followed by reaction with phenylhydrazine. The structure of the ligands and intermediates are well defined through elemental and spectroscopic analyses. These hydrazones are potential ligands toward lanthanide metal ions. New complexes of trivalent Scandium, Yttrium, Lanthanum, and Cerium have been synthesized. The composition of these complexes is discussed on the basis of elemental analyses, IR, magnetic moments, and thermal analyses. The prepared complexes were screened for antibacterial and antifungal properties and have exhibited potential activity.

  12. DNA structure, binding mechanism and biology functions of polypyridyl complexes in biomedicine

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    There is considerable research interest and vigorous debate about the DNA binding of polypyridyl complexes including the electron transfer involving DNA. In this review, based on the fluorescence quenching experiments, it was proposed that DNA might serve as a conductor. From the time-interval CD spectra, the different binding rates of D- and L-enantiomer to calf thymus DNA were observed. The factors influencing the DNA-binding of polypyridyl complexes, and the potential bio-functions of the complexes are also discussed.

  13. Dynamics on and of complex networks applications to biology, computer science, and the social sciences

    CERN Document Server

    Ganguly, Niloy; Mukherjee, Animesh

    2009-01-01

    This self-contained book systematically explores the statistical dynamics on and of complex networks having relevance across a large number of scientific disciplines. The theories related to complex networks are increasingly being used by researchers for their usefulness in harnessing the most difficult problems of a particular discipline. The book is a collection of surveys and cutting-edge research contributions exploring the interdisciplinary relationship of dynamics on and of complex networks. Towards this goal, the work is thematically organized into three main sections: Part I studies th

  14. Constant-Distance Mode Nanospray Desorption Electrospray Ionization Mass Spectrometry Imaging of Biological Samples with Complex Topography

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Son N.; Liyu, Andrey V.; Chu, Rosalie K.; Anderton, Christopher R.; Laskin, Julia

    2017-01-17

    A new approach for constant distance mode mass spectrometry imaging of biological samples using nanospray desorption electrospray ionization (nano-DESI MSI) was developed by integrating a shear-force probe with nano-DESI probe. The technical concept and basic instrumental setup as well as general operation of the system are described. Mechanical dampening of resonant oscillations due to the presence of shear forces between the probe and the sample surface enables constant-distance imaging mode via a computer controlled closed feedback loop. The capability of simultaneous chemical and topographic imaging of complex biological samples is demonstrated using living Bacillus Subtilis ATCC 49760 colonies on agar plates. The constant-distance mode nano-DESI MSI enabled imaging of many metabolites including non-ribosomal peptides (surfactin, plipastatin and iturin) and iron-bound heme on the surface of living bacterial colonies ranging in diameter from 10 mm to 13 mm with height variations of up to 0.8 mm above the agar plate. Co-registration of ion images to topographic images provided higher-contrast images. Constant-mode nano-DESI MSI is ideally suited for imaging biological samples of complex topography in their native state.

  15. Capillary zone electrophoresis for analysis of phytochelatins and other thiol peptides in complex biological samples derivatized with monobromobimane.

    Science.gov (United States)

    Perez-Rama, Mónica; Torres Vaamonde, Enrique; Abalde Alonso, Julio

    2005-02-01

    A new method to improve the analysis of phytochelatins and their precursors (cysteine, gamma-Glu-Cys, and glutathione) derivatized with monobromobimane (mBrB) in complex biological samples by capillary zone electrophoresis is described. The effects of the background electrolyte pH, concentration, and different organic additives (acetonitrile, methanol, and trifluoroethanol) on the separation were studied to achieve optimum resolution and number of theoretical plates of the analyzed compounds in the electropherograms. Optimum separation of the thiol peptides was obtained with 150 mM phosphate buffer at pH 1.60. Separation efficiency was improved when 2.5% v/v methanol was added to the background electrolyte. The electrophoretic conditions were 13 kV and capillary dimensions with 30 cm length from the inlet to the detector (38 cm total length) and 50 microm inner diameter. The injection was by pressure at 50 mbar for 17 s. Under these conditions, the separation between desglycyl-peptides and phytochelatins was also achieved. We also describe the optimum conditions for the derivatization of biological samples with mBrB to increase electrophoretic sensitivity and number of theoretical plates. The improved method was shown to be simple, reproducible, selective, and accurate in measuring thiol peptides in complex biological samples, the detection limit being 2.5 microM glutathione at a wavelength of 390 nm.

  16. Structural Biology of Proteins of the Multi-enzyme Assembly Human Pyruvate Dehydrogenase Complex

    Science.gov (United States)

    2003-01-01

    Objectives and research challenges of this effort include: 1. Need to establish Human Pyruvate Dehydrogenase Complex protein crystals; 2. Need to test value of microgravity for improving crystal quality of Human Pyruvate Dehydrogenase Complex protein crystals; 3. Need to improve flight hardware in order to control and understand the effects of microgravity on crystallization of Human Pyruvate Dehydrogenase Complex proteins; 4. Need to integrate sets of national collaborations with the restricted and specific requirements of flight experiments; 5. Need to establish a highly controlled experiment in microgravity with a rigor not yet obtained; 6. Need to communicate both the rigor of microgravity experiments and the scientific value of results obtained from microgravity experiments to the national community; and 7. Need to advance the understanding of Human Pyruvate Dehydrogenase Complex structures so that scientific and commercial advance is identified for these proteins.

  17. Synthesis, Characterization, and Biological Activity of Nickel (II and Palladium (II Complex with Pyrrolidine Dithiocarbamate (PDTC

    Directory of Open Access Journals (Sweden)

    Sk Imadul Islam

    2016-01-01

    Full Text Available The synthesis of square planar Ni(II and Pd(II complexes with pyrrolidine dithiocarbamate (PDTC was characterized by elemental, physiochemical, and spectroscopic methods. Two complexes were prepared by the reaction of nickel acetate and palladium acetate with pyrrolidine dithiocarbamate (PDTC in 1 : 2 molar ratio. The bovine serum albumin (BSA interaction with complexes was examined by absorption and fluorescence spectroscopic techniques at pH 7.4. All the spectral data suggest that coordination of the pyrrolidine dithiocarbamate (PDTC takes place through the two sulphur atoms in a symmetrical bidentate fashion. All the synthesized compounds were screened for their antimicrobial activity against some species of pathogenic bacteria (Escherichia coli, Vibrio cholerae, Streptococcus pneumonia, and Bacillus cereus. It has been observed that complexes have higher activity than the free ligand.

  18. Synthesis and biological studies of 4', 7, 8-trihydroxy-isoflavone metal complexes.

    Science.gov (United States)

    Tang, Li-Jun; Chen, Xiang; Sun, Yu-Na; Ye, Jia; Lu, Jing; Han, Ying; Jiang, Xing; Cheng, Chan-Chan; He, Cheng-Cheng; Qiu, Pei-Hong; Li, Xiao-Kun

    2011-12-01

    A new series of complexes of a ligand 4', 7, 8-trihydroxy-isoflavone with transition metal (zinc, copper, manganese, nickel, cobalt) and selenium have been synthesized and characterized with the aid of elemental analysis, IR, electron ionization mass spectrum (EI-MS) and (1)H NMR spectrometric techniques. The compounds were evaluated for their in vitro antibacterial activities and antitumor properties. The metal complexes were found to be more active than the free ligand. Investigation on the interaction between the complexes and calf-thymus DNA (CT DNA) showed that the absorbance of CT DNA increased and the maximum peak (λ(max)=260 nm) red-shifted, while the intensity of fluorescence spectra of Epstein-Bart DNA (EB-DNA) gradually weakened, which indicated that all of these metal complexes tightly combined with CT DNA.

  19. Synthesis, physicochemical studies and biological evaluation of unimetallic and heterobimetallic complexes of hexadentate dihydrazone ligands

    Directory of Open Access Journals (Sweden)

    Fathy A. El Saied

    2017-03-01

    Full Text Available A new coordination unimetallic and heterobimetallic complexes of hexadentate N2O4 donor dihydrazone ligands were prepared by the condensation of 4-formyl antipyrine with adipic dihydrazide and succinic dihydrazide. The ligands (1 and (11 and their complexes thoroughly characterized using various analytical, physical and spectroscopic techniques, which indicate a distorted octahedral geometry around the metal ions. The ESR spectra of solid copper(II complexes (2–4 and (12–14 showed axial symmetry with g||>g⊥ > ge, indicating distorted octahedral structure and the presence of the unpaired electron in a d(x2−y2 orbital with significant covalent bond character. The antimicrobial activity results of the metal compounds (2–5, (7, (10, (12–15 and (17 show that, all these complexes exhibit inhibitory moderate to mild effects towards Bacillus subtilis, Escherichia coli and Aspergillus niger.

  20. Metal complexes of a novel Schiff base derived from sulphametrole and varelaldehyde. Synthesis, spectral, thermal characterization and biological activity

    Science.gov (United States)

    Mohamed, Gehad G.; Zayed, M. A.; Abdallah, S. M.

    2010-08-01

    Metal complexes of a novel Schiff base (HL = 3-(4'-ethylazomethinobenzene sulphonamide)-4-methoxy-1,2,5-thiadiazole) derived from condensation of sulphametrole and varelaldehyde are reported and characterized based on elemental analyses, IR, solid reflectance, magnetic moment, molar conductance, and thermal analysis (TG). From the elemental analyses data, 1:1 metal complexes are formed having the general formulae [MCl 3(HL)(H 2O)]·3H 2O (M = Cr(III), Fe(III)) and [MCl 2(HL)(H 2O) 2]· yH 2O (where M = Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II), y = 0-3). The important infrared (IR) spectral bands corresponding to the active groups in the ligand and the solid complexes under investigation were studied. IR spectra show that HL is coordinated to the metal ions in a neutral bidentate manner with ON donor sites of the enolic sulphonamide- OH and thiodiaza- N. The solid complexes have been synthesized and studied by thermogravimetric analysis. The thermal dehydration and decomposition of these complexes were studied kinetically using the integral method applying the Coats-Redfern equation. All the metal chelates are found to be non-electrolytes. From the magnetic and solid reflectance spectra, the complexes have octahedral structures. The antibacterial and antifungal activities of the synthesized ligand and its metal complexes were screened against bacterial species ( Escherichia coli and Staphylococcus aureus) and fungi ( Candida and Aspergillus flavus). The activity data show that the metal complexes have a promising biological activity comparable with the parent Schiff base ligand against bacterial and fungal species.

  1. Lanthanide Complexes of Substituted -Diketone Hydrazone Derivatives: Synthesis, Characterization, and Biological Activities

    OpenAIRE

    Hegazy, W. H.; I. H. Al-Motawaa

    2011-01-01

    A series of β-diketone hydrazone derivatives have been synthesized through condensation of β-diketone with aromatic aldehydes followed by reaction with phenylhydrazine. The structure of the ligands and intermediates are well defined through elemental and spectroscopic analyses. These hydrazones are potential ligands toward lanthanide metal ions. New complexes of trivalent Scandium, Yttrium, Lanthanum, and Cerium have been synthesized. The composition of these complexes is discussed on the bas...

  2. Metal complexes of the fourth generation quinolone antimicrobial drug gatifloxacin: Synthesis, structure and biological evaluation

    Science.gov (United States)

    Sadeek, Sadeek A.; El-Shwiniy, Walaa H.

    2010-08-01

    Three metal complexes of the fourth generation quinolone antimicrobial agent gatifloxacin (GFLX) with Y(ΙΙΙ), Zr(ΙV) and U(VΙ) have been prepared and characterized with physicochemical and spectroscopic techniques. In these complexes, gatifloxacin acts as a bidentate deprotonated ligand bound to the metal through the ketone oxygen and a carboxylato oxygen. The complexes are six-coordinated with distorted octahedral geometry. The kinetic parameters for gatifloxacin and the three prepared complexes have been evaluated from TGA curves by using Coats-Redfern (CR) and Horowitz-Metzeger (HM) methods. The calculated bond length and force constant, F(U dbnd O), for the UO 2 bond in uranyl complex are 1.7522 Å and 639.46 N m -1. The antimicrobial activity of the complexes has been tested against microorganisms, three bacterial species, such as Staphylococcus aureus ( S. aureus), Escherichia coli ( E. coli) and Pseudomonas aeruginosa ( P. aeruginosa) and two fungi species, penicillium ( P. rotatum) and trichoderma ( T. sp.), showing that they exhibit higher activity than free ligand.

  3. Bivalent transition metal complexes of cetirizine: Spectroscopic, equilibrium studies and biological activity

    Science.gov (United States)

    El-Sherif, Ahmed A.; Shoukry, Mohamed M.; Abobakr, Lamis O.

    2013-08-01

    Metal complexes of cetirizineṡ2HCl (CTZ = 2-[2-[4-[(4-chlorophenyl)phenyl methyl]piperazine-1-yl]-ethoxy]acetic acid, dihydrochloride have been prepared and characterized by elemental analyses, IR, solid reflectance, magnetic moment, molar conductance, and UV-Vis spectra. The analytical data of the complexes show the formation of 1:2 [M:L] ratio, where M represents Ni(II), Co(II) and Cu(II) ions, while L represents the deprotonated CTZ ligand. IR spectra show that CTZ is coordinated to the metal ions in a monodentate manner through carboxylate-O atom. Protonation equilibria of CTZ and its metal complexation by some divalent metal ions were determined in aqueous solution at constant ionic strength (0.1 M NaCl) using an automatic potentiometric technique. Thermodynamic parameters for the protonation equilibria of CTZ were calculated and discussed. The stability order of M(II)-CTZ complexes were found to obey Mn2+ Bacillus subtillis RCMB 010067, Staphylococcus aureus RCMB 010028, Pseudomonas aeuroginosa RCMB 010043, and Escherichia coli RCMB 010052) and fungi as (Aspergillus flavus RCMB 02568, Pencicillium italicum RCMB 03924, Candida albicans RCMB 05031 and Geotricum candidum RCMB 05097). The activity data show that the metal complexes have antibacterial and antifungal activity more than the parent CTZ ligand against one or more bacterial or fungi species. MIC was evaluated for the isolated complexes.

  4. Alkali Metal Ion Complexes with Phosphates, Nucleotides, Amino Acids, and Related Ligands of Biological Relevance. Their Properties in Solution.

    Science.gov (United States)

    Crea, Francesco; De Stefano, Concetta; Foti, Claudia; Lando, Gabriele; Milea, Demetrio; Sammartano, Silvio

    2016-01-01

    Alkali metal ions play very important roles in all biological systems, some of them are essential for life. Their concentration depends on several physiological factors and is very variable. For example, sodium concentrations in human fluids vary from quite low (e.g., 8.2 mmol dm(-3) in mature maternal milk) to high values (0.14 mol dm(-3) in blood plasma). While many data on the concentration of Na(+) and K(+) in various fluids are available, the information on other alkali metal cations is scarce. Since many vital functions depend on the network of interactions occurring in various biofluids, this chapter reviews their complex formation with phosphates, nucleotides, amino acids, and related ligands of biological relevance. Literature data on this topic are quite rare if compared to other cations. Generally, the stability of alkali metal ion complexes of organic and inorganic ligands is rather low (usually log K  Na(+) > K(+) > Rb(+) > Cs(+). For example, for citrate it is: log K ML = 0.88, 0.80, 0.48, 0.38, and 0.13 at 25 °C and infinite dilution. Some considerations are made on the main aspects related to the difficulties in the determination of weak complexes. The importance of the alkali metal ion complexes was also studied in the light of modelling natural fluids and in the use of these cations as probes for different processes. Some empirical relationships are proposed for the dependence of the stability constants of Na(+) complexes on the ligand charge, as well as for correlations among log K values of NaL, KL or LiL species (L = generic ligand).

  5. Drosophila melanogaster--the model organism of choice for the complex biology of multi-cellular organisms

    Science.gov (United States)

    Beckingham, Kathleen M.; Armstrong, J. Douglas; Texada, Michael J.; Munjaal, Ravi; Baker, Dean A.

    2005-01-01

    Drosophila melanogaster has been intensely studied for almost 100 years. The sophisticated array of genetic and molecular tools that have evolved for analysis of gene function in this organism are unique. Further, Drosophila is a complex multi-cellular organism in which many aspects of development and behavior parallel those in human beings. These combined advantages have permitted research in Drosophila to make seminal contributions to the understanding of fundamental biological processes and ensure that Drosophila will continue to provide unique insights in the genomic era. An overview of the genetic methodologies available in Drosophila is given here, together with examples of outstanding recent contributions of Drosophila to our understanding of cell and organismal biology. The growing contribution of Drosophila to our knowledge of gravity-related responses is addressed.

  6. Insights on antioxidant assays for biological samples based on the reduction of copper complexes-the importance of analytical conditions.

    Science.gov (United States)

    Marques, Sara S; Magalhães, Luís M; Tóth, Ildikó V; Segundo, Marcela A

    2014-06-25

    Total antioxidant capacity assays are recognized as instrumental to establish antioxidant status of biological samples, however the varying experimental conditions result in conclusions that may not be transposable to other settings. After selection of the complexing agent, reagent addition order, buffer type and concentration, copper reducing assays were adapted to a high-throughput scheme and validated using model biological antioxidant compounds of ascorbic acid, Trolox (a soluble analogue of vitamin E), uric acid and glutathione. A critical comparison was made based on real samples including NIST-909c human serum certified sample, and five study samples. The validated method provided linear range up to 100 µM Trolox, (limit of detection 2.3 µM; limit of quantification 7.7 µM) with recovery results above 85% and precision <5%. The validated developed method with an increased sensitivity is a sound choice for assessment of TAC in serum samples.

  7. Propolis: A Complex Natural Product with a Plethora of Biological Activities That Can Be Explored for Drug Development

    Science.gov (United States)

    Silva-Carvalho, Ricardo; Baltazar, Fátima; Almeida-Aguiar, Cristina

    2015-01-01

    The health industry has always used natural products as a rich, promising, and alternative source of drugs that are used in the health system. Propolis, a natural resinous product known for centuries, is a complex product obtained by honey bees from substances collected from parts of different plants, buds, and exudates in different geographic areas. Propolis has been attracting scientific attention since it has many biological and pharmacological properties, which are related to its chemical composition. Several in vitro and in vivo studies have been performed to characterize and understand the diverse bioactivities of propolis and its isolated compounds, as well as to evaluate and validate its potential. Yet, there is a lack of information concerning clinical effectiveness. The goal of this review is to discuss the potential of propolis for the development of new drugs by presenting published data concerning the chemical composition and the biological properties of this natural compound from different geographic origins. PMID:26106433

  8. Propolis: A Complex Natural Product with a Plethora of Biological Activities That Can Be Explored for Drug Development

    Directory of Open Access Journals (Sweden)

    Ricardo Silva-Carvalho

    2015-01-01

    Full Text Available The health industry has always used natural products as a rich, promising, and alternative source of drugs that are used in the health system. Propolis, a natural resinous product known for centuries, is a complex product obtained by honey bees from substances collected from parts of different plants, buds, and exudates in different geographic areas. Propolis has been attracting scientific attention since it has many biological and pharmacological properties, which are related to its chemical composition. Several in vitro and in vivo studies have been performed to characterize and understand the diverse bioactivities of propolis and its isolated compounds, as well as to evaluate and validate its potential. Yet, there is a lack of information concerning clinical effectiveness. The goal of this review is to discuss the potential of propolis for the development of new drugs by presenting published data concerning the chemical composition and the biological properties of this natural compound from different geographic origins.

  9. Propolis: A Complex Natural Product with a Plethora of Biological Activities That Can Be Explored for Drug Development.

    Science.gov (United States)

    Silva-Carvalho, Ricardo; Baltazar, Fátima; Almeida-Aguiar, Cristina

    2015-01-01

    The health industry has always used natural products as a rich, promising, and alternative source of drugs that are used in the health system. Propolis, a natural resinous product known for centuries, is a complex product obtained by honey bees from substances collected from parts of different plants, buds, and exudates in different geographic areas. Propolis has been attracting scientific attention since it has many biological and pharmacological properties, which are related to its chemical composition. Several in vitro and in vivo studies have been performed to characterize and understand the diverse bioactivities of propolis and its isolated compounds, as well as to evaluate and validate its potential. Yet, there is a lack of information concerning clinical effectiveness. The goal of this review is to discuss the potential of propolis for the development of new drugs by presenting published data concerning the chemical composition and the biological properties of this natural compound from different geographic origins.

  10. Cobalt complexes as internal standards for capillary zone electrophoresis-mass spectrometry studies in biological inorganic chemistry.

    Science.gov (United States)

    Holtkamp, Hannah U; Morrow, Stuart J; Kubanik, Mario; Hartinger, Christian G

    2017-01-02

    Run-by-run variations are very common in capillary electrophoretic (CE) separations and cause imprecision in both the migration times and the peak areas. This makes peak and kinetic trend identification difficult and error prone. With the aim to identify suitable standards for CE separations which are compatible with the common detectors UV, ESI-MS, and ICP-MS, the Co(III) complexes [Co(en)3]Cl3, [Co(acac)3] and K[Co(EDTA)] were evaluated as internal standards in the reaction of the anticancer drug cisplatin and guanosine 5'-monophosphate as an example of a classical biological inorganic chemistry experiment. These Co(III) chelate complexes were considered for their stability, accessibility, and the low detection limit for Co in ICP-MS. Furthermore, the Co(III) complexes are positively and negatively charged as well as neutral, allowing the detection in different areas of the electropherograms. The background electrolytes were chosen to cover a wide pH range. The compatibility to the separation conditions was dependent on the ligands attached to the Co(III) centers, with only the acetylacetonato (acac) complex being applicable in the pH range 2.8-9.0. Furthermore, because of being charge neutral, this compound could be used as an electroosmotic flow (EOF) marker. In general, employing Co complexes resulted in improved data sets, particularly with regard to the migration times and peak areas, which resulted, for example, in higher linear ranges for the quantification of cisplatin.

  11. Synthesis, structural characterization and biological activity of a trinuclear zinc(II) complex: DNA interaction study and antimicrobial activity

    Indian Academy of Sciences (India)

    Bhaskar Biswas; Niranjan Kole; Moumita Patra; Shampa Dutta; Mousumi Ganguly

    2013-11-01

    A trinuclear zinc(II) complex [Zn3L2(-O2CCH3)2(H2O)2]·H2O·2CH3OH (1) was synthesized from an in situ reaction between zinc acetate and a Schiff base ligand (H2L = 2-((2-hydroxyphenylimino) methyl)-6-methoxyphenol). The ligand was prepared by (1:1) condensation of ortho-vanillin and ortho-aminophenol. The ligand and zinc(II) complex were characterized by elemental analysis, Fourier Transform Infrared (FTIR), 1H-Nuclear Magnetic Resonance (NMR), UV-Vis spectroscopy, Powder X-ray Diffraction (PXRD) and thermogravimetric analysis. 1 crystallizes in P-1 space group with = 11.9241(3) Å, = 12.19746 Å, = 20.47784 Å with unit cell volume is 2674.440 (Å)3. Binding property of the complex with calf thymus DNA (CT-DNA) has been investigated using absorption and emission studies. Thermal melting and viscosity experiments were further performed to determine the mode of binding of 1 with CT-DNA. Spectroscopic and viscosity investigations revealed an intercalative binding mode of 1 with CT-DNA. The ligand and its zinc complex were screened for their biological activity against bacterial species and fungi. Activity data show that the metal complex has more antibacterial and antifungal activity than the parent Schiff base ligand and against those bacterial or fungi species.

  12. Synthesis, structural characterization and biological activities of organotin(IV) complexes with 5-allyl-2-hydroxy-3-methoxybenzaldehyde-4-thiosemicarbazone

    Indian Academy of Sciences (India)

    Rosenani A Haque; M A Salam

    2015-09-01

    The organotin(IV) complexes [MeSnCl(L)] (2), [BuSnCl(L)] (3), [PhSnCl(L)] (4) and [Me2Sn(L)] (5) were synthesized by reacting organotin(IV) chloride(s) with 5-allyl-2-hydroxy-3-methoxybenzaldehyde- 4-thiosemicarbazone [H2L], (1)] in presence of KOH in 1:2:1 molar ratio (metal salt: base:ligand). All the complexes have been characterized by elemental analyses, UV-Vis, FT-IR, 1H, 13C and 119Sn NMR spectral studies. The molecular structure of complex 5 has been confirmed by single crystal X-ray diffraction analysis. The ligand, H2L coordinates to Sn(IV) in thiolate form through phenoxide-O, azomethine-N and thiolate-S atoms. The C-Sn-C angle measured from coupling constant 1 (119Sn, 13C) for dimethyltin(IV) complex 5 is 123.4°. The 2 (119Sn, 1H) coupling constant values for complex 2 and 5 are 72.4 and 76.3 Hz, respectively. Proposed geometry for five coordinated Sn(IV) atom is a strongly distorted trigonal bipyramid. Biological studies were preformed in vitro against four bacterial strains which have shown better activities and potential as antibacterial agents.

  13. Finding complex biological relationships in recent PubMed articles using Bio-LDA.

    Directory of Open Access Journals (Sweden)

    Huijun Wang

    Full Text Available The overwhelming amount of available scholarly literature in the life sciences poses significant challenges to scientists wishing to keep up with important developments related to their research, but also provides a useful resource for the discovery of recent information concerning genes, diseases, compounds and the interactions between them. In this paper, we describe an algorithm called Bio-LDA that uses extracted biological terminology to automatically identify latent topics, and provides a variety of measures to uncover putative relations among topics and bio-terms. Relationships identified using those approaches are combined with existing data in life science datasets to provide additional insight. Three case studies demonstrate the utility of the Bio-LDA model, including association predication, association search and connectivity map generation. This combined approach offers new opportunities for knowledge discovery in many areas of biology including target identification, lead hopping and drug repurposing.

  14. Finding complex biological relationships in recent PubMed articles using Bio-LDA.

    Science.gov (United States)

    Wang, Huijun; Ding, Ying; Tang, Jie; Dong, Xiao; He, Bing; Qiu, Judy; Wild, David J

    2011-03-23

    The overwhelming amount of available scholarly literature in the life sciences poses significant challenges to scientists wishing to keep up with important developments related to their research, but also provides a useful resource for the discovery of recent information concerning genes, diseases, compounds and the interactions between them. In this paper, we describe an algorithm called Bio-LDA that uses extracted biological terminology to automatically identify latent topics, and provides a variety of measures to uncover putative relations among topics and bio-terms. Relationships identified using those approaches are combined with existing data in life science datasets to provide additional insight. Three case studies demonstrate the utility of the Bio-LDA model, including association predication, association search and connectivity map generation. This combined approach offers new opportunities for knowledge discovery in many areas of biology including target identification, lead hopping and drug repurposing.

  15. Oxovanadium(IV Complexes with Nitrogen Donors: Synthesis, Characterisation, and Biological Activities

    Directory of Open Access Journals (Sweden)

    Gauri D. Bajju

    2013-01-01

    Full Text Available Some oxovanadium(IV complexes of SA/SSA and 5, 10, 15, and 20-meso-tetraphenylporphyrin (H2tpp with unidentate and bidentate nitrogen donors have been synthesized and characterized by elemental analysis, conductivity measurements, magnetic susceptibility, UV-Vis, IR, mass spectroscopy, TGA/DTA, and 1H, 13C and 51V NMR studies to investigate the steric and electronic effects of axial ligands on the properties of porphyrins. On the basis of these studies, it has been investigated that the axial ligands bind to the sixth coordination site of the vanadium ion to form a relatively stable six-coordinate-porphyrin complex where as in the case of SA/SSA complexes the nitrogen donors bind to the equatorial position giving square pyramidal geometry. The in vitro cytotoxicity against human cancer cell lines and antimicrobial activities of the synthesized compounds have been done against various fungal and bacterial pathogens. The [VO(SA/SSAL/L-L] complexes were found to possess higher antibacterial, antifungal activity and in vitro cytotoxicity against human cancer cell lines than VO(tppL complexes.

  16. Spectroscopic characterization of metal complexes of novel Schiff base. Synthesis, thermal and biological activity studies.

    Science.gov (United States)

    Omar, M M; Mohamed, Gehad G; Ibrahim, Amr A

    2009-07-15

    Novel Schiff base (HL) ligand is prepared via condensation of 4-aminoantipyrine and 2-aminobenzoic acid. The ligand is characterized based on elemental analysis, mass, IR and (1)H NMR spectra. Metal complexes are reported and characterized based on elemental analyses, IR, (1)H NMR, solid reflectance, magnetic moment, molar conductance and thermal analyses (TGA, DrTGA and DTA). The molar conductance data reveal that all the metal chelates are non-electrolytes. IR spectra show that HL is coordinated to the metal ions in a uninegatively tridentate manner with NNO donor sites of the azomethine N, amino N and deprotonated caroxylic-O. From the magnetic and solid reflectance spectra, it is found that the geometrical structures of these complexes are octahedral. The thermal behaviour of these chelates shows that the hydrated complexes losses water molecules of hydration in the first step followed immediately by decomposition of the anions and ligand molecules in the subsequent steps. The activation thermodynamic parameters, such as, E*, DeltaH*, DeltaS* and DeltaG* are calculated from the DrTG curves using Coats-Redfern method. The synthesized ligands, in comparison to their metal complexes also were screened for their antibacterial activity against bacterial species, Escherichia Coli, Pseudomonas aeruginosa, Staphylococcus Pyogones and Fungi (Candida). The activity data show that the metal complexes to be more potent/antibacterial than the parent Shciff base ligand against one or more bacterial species.

  17. Formation mechanism and biological activity of novel thiolated human-like collagen iron complex.

    Science.gov (United States)

    Zhu, Chenhui; Liu, Lingyun; Deng, Jianjun; Ma, Xiaoxuan; Hui, Junfeng; Fan, Daidi

    2016-03-01

    To develop an iron supplement that is effectively absorbed and utilized, thiolated human-like collagen was created to improve the iron binding capacity of human-like collagen. A thiolated human-like collagen-iron complex was prepared in a phosphate buffer, and one mole of thiolated human-like collagen-iron possessed approximately 28.83 moles of iron. The characteristics of thiolated human-like collagen-iron were investigated by ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy, circular dichroism, and differential scanning calorimetry. The results showed that the thiolated human-like collagen-iron complex retained the secondary structure of human-like collagen and had greater thermodynamic stability than human-like collagen, although interactions between iron ions and human-like collagen occurred during the formation of the complex. In addition, to evaluate the bioavailability of thiolated human-like collagen-iron, an in vitro Caco-2 cell model and an in vivo iron deficiency anemia mouse model were employed. The data demonstrated that the thiolated human-like collagen-iron complex exhibited greater bioavailability and was more easily utilized than FeSO4, ferric ammonium citrate, or ferrous glycinate. These results indicated that the thiolated human-like collagen-iron complex is a potential iron supplement in the biomedical field.

  18. Syntheses, characterization, biological activities and photophysical properties of lanthanides complexes with a tetradentate Schiff base ligand

    Science.gov (United States)

    Taha, Ziyad A.; Ajlouni, Abdulaziz M.; Al Momani, Waleed; Al-Ghzawi, Abeer A.

    2011-10-01

    A tetradentate Schiff base ligand L (N,N'-bis(1-naphthaldimine)-o-phenylenediamine) was prepared from the condensation of 2-hydroxy-1-naphthaldehyde with o-phenylenediamine in a molar ratio of 2:1. New eight lanthanide metal complexes [Ln L(NO 3) 2(H 2O) x](NO 3) {Ln(III) = Nd, Dy, Sm, Pr, Gd, Tb, La and Er, x = 0 for Nd, Sm, 1 for La, Gd, Pr, Nd, Dy, and 2 for Tb} were prepared. The characterization and nature of bonding of these complexes were elucidated by elemental analysis, spectral analysis ( 1H NMR, FT-IR, UV-vis), molar conductivity measurements, luminescence spectra and thermogravimetric studies. Analytical and spectral data revealed that the ligand L coordinates to the central Ln(III) ions by its two imine nitrogen atoms and two phenolic oxygen atoms with 1:1 stoichiometry. Under the excitation with 329 nm at room temperature, Tb and Dy complexes exhibited characteristic luminescence of the central metal ions attributed to efficient energy transfer from the ligand to the metal center. Most of Ln(III) complexes found to exhibit antibacterial activities against a number of pathogenic bacteria. We found that the antioxident activity of Ln(III) complexes on DPPH rad is concentration dependent and higher than that of the free ligand L.

  19. Structural Biology of DNA Repair: Spatial Organisation of the Multicomponent Complexes of Nonhomologous End Joining

    Directory of Open Access Journals (Sweden)

    Takashi Ochi

    2010-01-01

    Full Text Available Nonhomologous end joining (NHEJ plays a major role in double-strand break DNA repair, which involves a series of steps mediated by multiprotein complexes. A ring-shaped Ku70/Ku80 heterodimer forms first at broken DNA ends, DNA-dependent protein kinase catalytic subunit (DNA-PKcs binds to mediate synapsis and nucleases process DNA overhangs. DNA ligase IV (LigIV is recruited as a complex with XRCC4 for ligation, with XLF/Cernunnos, playing a role in enhancing activity of LigIV. We describe how a combination of methods—X-ray crystallography, electron microscopy and small angle X-ray scattering—can give insights into the transient multicomponent complexes that mediate NHEJ. We first consider the organisation of DNA-PKcs/Ku70/Ku80/DNA complex (DNA-PK and then discuss emerging evidence concerning LigIV/XRCC4/XLF/DNA and higher-order complexes. We conclude by discussing roles of multiprotein systems in maintaining high signal-to-noise and the value of structural studies in developing new therapies in oncology and elsewhere.

  20. Synthesis, spectral characterization, thermal and biological studies of lanthanide(III) complexes of oxyphenbutazone

    Institute of Scientific and Technical Information of China (English)

    PS Binil; MR Anoop; KR Jisha; S Suma; MR Sudarsanakumar

    2014-01-01

    Lanthanide(III) complexes of 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione (OPB) were prepared by ho-mogeneous precipitation. The solid complexes were characterized by elemental analysis, magnetic susceptibility data, molar conduc-tivity measurements and IR, UV-Vis, mass, 1H NMR and 13C NMR spectral methods. The thermal decomposition of the complexes under static air atmosphere was investigated by simultaneous TG/DTG at a heating rate of 10 °C/min. The final decomposition prod-ucts were found to be metal oxides. The spectroscopic data suggested that OPB acted as a bidentate, mono-ionic ligand coordinating through two carbonyl oxygens of the pyrazolidinedione ring. The kinetic and thermodynamic parameters such as activation energy, pre-exponential factor and entropy of activation for each step of the decomposition reactions were evaluated using Coats-Redfern and MacCallum-Tanner equations. The negative entropy values of the complexes indicated that the activated complexes had a more or-dered structure than the reactant and that the reactions were slower than normal. Investigations of antimicrobial activity of the com-pounds were carried out by the disk diffusion technique.

  1. Synthesis, characterization, and biological evaluation of Schiff base-platinum(II) complexes.

    Science.gov (United States)

    Shiju, C; Arish, D; Bhuvanesh, N; Kumaresan, S

    2015-06-15

    The platinum complexes of Schiff base ligands derived from 4-aminoantipyrine and a few substituted aldehydes were synthesized and characterized by elemental analysis, mass, (1)H NMR, IR, electronic spectra, molar conductance, and powder XRD. The structure of one of the ligands L5 was confirmed by a single crystal XRD analysis. The Schiff base ligand crystallized in the triclinic, space group P-1 with a=7.032(2)Ǻ, b=9.479(3)Ǻ, c=12.425(4)Ǻ, α=101.636(3)°, β=99.633(3)°, γ=94.040(3)°, V=795.0(4)Ǻ(3), Z=2, F(000)=352, Dc=1.405 mg/m(3), μ=0.099 mm(-1), R=0.0378, and wR=0.0967. The spectral results show that the Schiff base ligand acts as a bidentate donor coordinating through the azomethine nitrogen and the carbonyl oxygen atoms. The geometrical structures of these complexes are found to be square planar. Antimicrobial studies indicate that these complexes exhibit better activity than the ligand. The anticancer activities of the complexes have also been studied towards human cervical cancer cell line (HeLa), Colon Cancer Cells (HCT116) and Epidermoid Carcinoma Cells (A431) and it was found that the [Pt(L3)Cl2] complex is more active.

  2. Structural and biological evaluation of some metal complexes of vanillin-4N-(2-pyridyl) thiosemicarbazone

    Science.gov (United States)

    Yousef, T. A.; Abu El-Reash, G. M.; Al-Jahdali, M.; El-Rakhawy, El-Bastawesy R.

    2013-12-01

    The synthesis and characterization of Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II) and U(VI)O2 complexes of vanillin-4N-(2-pyridyl) thiosemicarbazone (H2PVT) are reported. Theoretical calculations have been performed to obtain IR spectra of ligand and its complexes using AM1, Zindo/1, MM+ and PM3, methods. The Schiff base and its metal complexes have been screened for antibacterial Pseudomonas aeruginosa, Escherichia coli, Bacillus subtilis and Staphylococcus saprophyticus. H2VPT shows no apparent digestion effect on the egg albumin while Mn(II), Hg(II) and Cu(II) complexes exhibited a considerable digestion effect following the order Cu(II) > Mn(II) > Hg(II). Moreover, Ni(II) and Co(II) complexes revealed strong digestion effect. Fe(II), Mn(II), Cu(II), Zn(II) and Ni(II) acted as metal co- SOD enzyme factors, which are located in different compartments of the cell.

  3. Synthesis, catalytic and biological activity of novel dinuclear copper complex with Schiff base

    Institute of Scientific and Technical Information of China (English)

    WEI; Danyi; LI; Ning; LU; Gui; YAO; Kemin

    2006-01-01

    A novel dinuclear copper complex with tetraglycol aldehyde-phenylalanine Schiff base has been synthesized. It was characterized and formulated as [Cu2L(NO3)]NO3 by elemental analysis,magnetic susceptibility, TG-DTA, IR, EPR and 1H NMR spectra. The obtained complex can be used as a good catalyst for the polymerization of methyl methacrylate (MMA). The optimum polymerization conditions are: MMNcatalyst = 500 (molar ratio); [catalyst] = 7.5×10-3 mol. L-1; dioxane as solvent;80℃; 6 h. Polymethyl methacrylate (PMMA) with 80% conversion, 7.2×105 viscosity-average molecular weight and 60.5% syndiotacticity was obtained. This complex has also been shown to play an important role in scavenging O-·2.

  4. Stability Constants of Some Biologically Important Pyrazoles and Their Ni2+ Complexes in Different Dielectric Constant of Medium

    Directory of Open Access Journals (Sweden)

    S. D. Deosarkar

    2012-01-01

    Full Text Available The proton-ligand stability constants of some biologically important new pyrazoles and formation constants of their complexes with Ni(II were determined at 0.1 mol dm-3 ionic strength and at 303.15 K in different dielectric constant of dioxane-water mixture by potentiometric method. The Calvin-Bjerrum's pH-titration technique as used by Irving and Rossotti was used for determination of stability constants. The results enabled to study the electrostatic forces of attraction between metal ion and ligand with changes in dielectric constant of the medium.

  5. Triorganotin(IV) complexes with biologically potent schiff bases: infrared, ¹¹⁹Sn spectral characteristics and antimicrobial applications.

    Science.gov (United States)

    Rehman, W; Khan, J; Muhammad, B; Shah, S W H; Rashid, R

    2012-05-01

    This review paper has attempted information specific to the title compound. This survey of the literature data provides useful information about the design and stabilities of the triorganotin with biologically active ligands. Up to now, considerable efforts have been made to synthesize and characterize triorganotin(IV) schiff base complexes with the general formulae R3ML [R = organic group, M: Sn and L: schiff base] and many studies have been focused in order to understand bioassay results. Users with an interest in this substance are strongly encouraged for future research that this is still a very open field.

  6. Microwave Synthesis, Basic Spectral and Biological Evaluation of Some Copper (II) Mesoporphyrinic Complexes

    OpenAIRE

    Rica Boscencu; Mihaela Ilie; Radu Socoteanu; Anabela Sousa Oliveira; Carolina Constantin; Monica Neagu; Gina Manda; Luis Filipe Vieira Ferreira

    2010-01-01

    Cu(II) complexes with asymmetrical and symmetrical porphyrinic ligands were synthesized with superior yields using microwave irradiation. The paper presents the synthesis of 5-(3-hydroxyphenyl)-10,15,20-tris-(4-carboxymethylphenyl)-21,23-Cu(II)-porphine in comparison to its symmetrical complex 5,10,15,20-meso-tetrakis-(4-carboxy-methylphenyl)-21,23-Cu(II) porphine. The two compounds were characterized by FT-IR, UV–Vis and EPR spectroscopy, which fully confirmed the structures. The spectral mo...

  7. Biological factors underlying regularity and chaos in aquatic ecosystems: Simple models of complex dynamics

    Indian Academy of Sciences (India)

    A B Medvinsky; S V Petrovskii; D A Tikhonov; I A Tikhonova; G R Ivanitsky; E Venturino; H Malchow

    2001-03-01

    This work is focused on the processes underlying the dynamics of spatially inhomogeneous plankton communities. We demonstrate that reaction—diffusion mathematical models are an appropriate tool for searching and understanding basic mechanisms of complex spatio-temporal plankton dynamics and fractal properties of planktivorous fish school walks.

  8. Luminescent cyclometalated iridium(Ⅲ) dipyridoquinoxaline indole complexes as biological probes

    Institute of Scientific and Technical Information of China (English)

    LO; Kenneth; Kam-Wing; LEUNG; Arthur; Ho-Hon

    2010-01-01

    Four luminescent cyclometalated iridium(Ⅲ) dipyridoquinoxaline complexes appended with an indole moiety [Ir(NC)2(NN)] (PF6) (HNC = 2-phenylpyridine, Hppy; NN = 2-(N-(2-(indole-3-acetamido)ethyl)aminocarbonyl)dipyrido[3,2-f:2′,3′-h]quinox- aline, dpqC2indole (1a), NN = 2-(N-(6-(indole-3-acetamido)hexyl)aminocarbonyl)dipyrido[3,2-f:2′,3′-h]quinoxaline, dpqC6indole (1b); HNC = 7,8-benzoquinoline, Hbzq, NN = dpqC2indole (2a), NN = dpqC6indole (2b)) have been synthesized and characterized. Upon irradiation, all the complexes displayed moderately intense and long-lived luminescence under ambient condi-tions and in 77 K glass. On the basis of the photophysical data, the emission of the complexes has been assigned to an excited state of triplet metal-to-ligand charge-transfer (3MLCT) ((dπ(Ir)→π*(NN)) character. Cyclic voltammetric studies revealed indole-based and iridium-based oxidations at ca. +1.10 V and +1.24 V vs. SCE, respectively, and ligand-based reductions at ca. -1.07 to-2.29 V vs. SCE. The interactions of the complexes with an indole-binding protein, bovine serum albumin (BSA), have been examined by emission titrations.

  9. Synthesis, characterization, biological and catalytic applications of transition metal complexes derived from Schiff base.

    Science.gov (United States)

    Bushra Begum, A; Rekha, N D; Vasantha Kumar, B C; Lakshmi Ranganatha, V; Khanum, Shaukath Ara

    2014-08-01

    A novel series of Cu(II), Ni(II), Zn(II), Co(II), and Cd(II) complexes have been synthesized from the Schiff base. Structural features were determined by analytical and spectral techniques like IR, (1)H NMR, UV-vis, elemental analysis, molar electric conductibility, magnetic susceptibility and thermal studies. The complexes are found to be soluble in dimethylformamide and dimethylsulfoxide. Molar conductance values in dimethylformamide indicate the non-electrolytic nature of the complexes. Binding of synthesized complexes with calf thymus DNA (CT DNA) was studied. There is significant binding of DNA in lanes 2, 3, and 5. Lanes 4 and 6 are showing more florescence when compared to the control indicating that these molecules are strongly bound to the DNA by inserting themselves between the two stacked base pairs and exhibiting their original property of fluorescence. Angiogenesis study has revealed that the compounds B-2, B-4 and B-5 have potent antitumor efficacy and activation of antiangiogenesis could be one of the possible underlying mechanisms of tumor inhibition.

  10. Detection of mutant protein in complex biological samples: Glucocerebrosidase mutations in Gaucher’s disease

    NARCIS (Netherlands)

    Bleijlevens, B.; van Breemen, M.J.; Donker-Koopman, W.E.; de Koster, C.G.; Aerts, J.M.F.G.

    2008-01-01

    We report a sensitive method to detect point mutations in proteins from complex samples. The method is based on surface-enhanced laser desorption/ionization time-of-flight (SELDI-ToF) MS but can be extended to other MS platforms. The target protein in this study is the lysosomal enzyme glucocerebros

  11. Gold(I) N-heterocyclic carbene complexes with an "activable" ester moiety : Possible biological applications

    NARCIS (Netherlands)

    Bertrand, Benoit; Bodio, Ewen; Richard, Philippe; Picquet, Michel; Le Gendre, Pierre; Casini, Angela

    2015-01-01

    While N-heterocyclic carbenes (NHC) are ubiquitous ligands in catalysts for organic or industrial synthesis, their potential to form transition metal complexes for medicinal applications has still to be exploited. Within this frame, new Au(I)-NHC compounds have been synthesized and structurally char

  12. Microwave assisted synthesis, characterization and biological evaluation of palladium and platinum complexes with azomethines

    Science.gov (United States)

    Sharma, Krishna; Singh, Ritu; Fahmi, Nighat; Singh, R. V.

    2010-01-01

    Reactions of 3-acetyl-2,5-dimethylthiophene with thiosemicarbazide and semicarbazide hydrochloride resulted in the formation of new heterocyclic ketimines, 3-acetyl-2,5-dimethylthiophene thiosemicarbazone (C 9H 13N 3OS 2 or L 1H) and 3-acetyl-2,5- dimethylthiophene semicarbazone (C 9H 13N 3OS or L 2H), respectively. The Pd(II) and Pt(II) complexes have been synthesized by mixing metal salts in 1:2 molar ratios with these ligands by using microwave as well as conventional heating method for comparison purposes. The authenticity of these ligands and their complexes has been established on the basis of elemental analysis, melting point determinations, molecular weight determinations, IR, 1H NMR and UV spectral studies. These studies showed that the ligands coordinate to the metal atom in a monobasic bidentate manner and square planar environment around the metal atoms has been proposed to the complexes. Both the ligands and their complexes have been screened for their antimicrobial activities. The antiamoebic activity of both the ligands and their palladium compounds against the protozoan parasite Entamoeba histolytica has been tested.

  13. Reduction enhances yields of nitric oxide trapping by iron-diethyldithiocarbamate complex in biological systems.

    NARCIS (Netherlands)

    Vanin, A.F.; Bevers, L.M.; Mikoyan, V.D.; Poltorakov, A.P.; Kubrina, L.N.; Faassen, E. van

    2007-01-01

    The mechanism of NO trapping by iron-diethylthiocarbamate complexes was investigated in cultured cells and animal and plant tissues. Contrary to common belief, the NO radicals are trapped by iron-diethylthiocarbamates not only in ferrous but in ferric state also in the biosystems. When DETC was exce

  14. Mononuclear Ru(III) Schiff base complexes: Synthesis, spectral, redox, catalytic and biological activity studies

    Science.gov (United States)

    Priya, N. Padma; Arunachalam, S.; Manimaran, A.; Muthupriya, D.; Jayabalakrishnan, C.

    2009-04-01

    An octahedral ruthenium(III) Schiff base complexes of the type [RuX(EPh 3)(L)] (where, X = Cl/Br; E = As/P; L = dianion of the Schiff bases derived from acetoacetanilide with o-phenylenediamine and salicylaldehyde/ o-hydroxyacetophenone/ o-vanillin/2-hydroxy-1-naphthaldehyde) have been synthesized from the reactions of equimolar reactions of [RuX 3(EPh 3) 3] and Schiff bases in benzene. The new Ru(III) Schiff base complexes have been characterized by elemental analyses, FT-IR, electronic, 1H NMR and 13C NMR spectra, EPR spectral studies, powder X-ray diffraction (XRD) and electrochemical studies. The new complexes were found to be effective catalysts for aryl-aryl coupling and the oxidation of alcohols into their corresponding carbonyl compounds, respectively, using molecular oxygen atmosphere at ambient temperature. Further, the new Ru(III) Schiff base complexes were screened for their antibacterial activity against Pseudomonas aeruginosa, Vibrio cholera, Salomonella typhi and Staphylococcus aureaus.

  15. Thermoresponsive bacterial cellulose whisker/poly(NIPAM-co-BMA) nanogel complexes: synthesis, characterization, and biological evaluation.

    Science.gov (United States)

    Wu, Lei; Zhou, Hui; Sun, Hao-Jan; Zhao, Yanbing; Yang, Xiangliang; Cheng, Stephen Z D; Yang, Guang

    2013-04-08

    Dispersions of poly(N-isopropylacrylamide-co-butyl methacrylate) (PNB) nanogels are known to exhibit reversible thermosensitive sol-gel phase behavior and can consequently be used in a wide range of biomedical applications. However, some dissatisfactory mechanical properties of PNB nanogels can limit their applications. In this paper, bacterial cellulose (BC) whiskers were first prepared by sulfuric acid hydrolysis and then nanosized by high-pressure homogenization for subsequent use in the preparation of BC whisker/PNB nanogel complexes (designated as BC/PNB). The mechanical properties of PNB was successfully enhanced, resulting in good biosafety. The BC/PNB nanogel dispersions exhibited phase transitions from swollen gel to shrunken gel with increasing temperature. In addition, differential scanning calorimetry (DSC) data showed that the thermosensitivity of PNB nanogels was retained. Rheological tests also indicated that BC/PNB nanogel complexes had stronger gel strengths when compared with PNB nanogels. The concentrated dispersions showed shear thinning behavior and improved toughness, both of which can play a key role in the medical applications of nanogel complexes. Furthermore, the BC/PNB nanogel complexes were noncytotoxic according to cytotoxicity and hemolysis tests. Concentrated BC/PNB nanogel dispersion displayed gel a forming capacity in situ by catheter injection, which indicates potential for a wide range of medical applications.

  16. Microwave assisted synthesis, characterization and biological evaluation of palladium and platinum complexes with azomethines.

    Science.gov (United States)

    Sharma, Krishna; Singh, Ritu; Fahmi, Nighat; Singh, R V

    2010-01-01

    Reactions of 3-acetyl-2,5-dimethylthiophene with thiosemicarbazide and semicarbazide hydrochloride resulted in the formation of new heterocyclic ketimines, 3-acetyl-2,5-dimethylthiophene thiosemicarbazone (C(9)H(13)N(3)OS(2) or L(1)H) and 3-acetyl-2,5- dimethylthiophene semicarbazone (C(9)H(13)N(3)OS or L(2)H), respectively. The Pd(II) and Pt(II) complexes have been synthesized by mixing metal salts in 1:2 molar ratios with these ligands by using microwave as well as conventional heating method for comparison purposes. The authenticity of these ligands and their complexes has been established on the basis of elemental analysis, melting point determinations, molecular weight determinations, IR, (1)H NMR and UV spectral studies. These studies showed that the ligands coordinate to the metal atom in a monobasic bidentate manner and square planar environment around the metal atoms has been proposed to the complexes. Both the ligands and their complexes have been screened for their antimicrobial activities. The antiamoebic activity of both the ligands and their palladium compounds against the protozoan parasite Entamoeba histolytica has been tested.

  17. Applying complex models to poultry production in the future--economics and biology.

    Science.gov (United States)

    Talpaz, H; Cohen, M; Fancher, B; Halley, J

    2013-09-01

    The ability to determine the optimal broiler feed nutrient density that maximizes margin over feeding cost (MOFC) has obvious economic value. To determine optimal feed nutrient density, one must consider ingredient prices, meat values, the product mix being marketed, and the projected biological performance. A series of 8 feeding trials was conducted to estimate biological responses to changes in ME and amino acid (AA) density. Eight different genotypes of sex-separate reared broilers were fed diets varying in ME (2,723-3,386 kcal of ME/kg) and AA (0.89-1.65% digestible lysine with all essential AA acids being indexed to lysine) levels. Broilers were processed to determine carcass component yield at many different BW (1.09-4.70 kg). Trial data generated were used in model constructed to discover the dietary levels of ME and AA that maximize MOFC on a per broiler or per broiler annualized basis (bird × number of cycles/year). The model was designed to estimate the effects of dietary nutrient concentration on broiler live weight, feed conversion, mortality, and carcass component yield. Estimated coefficients from the step-wise regression process are subsequently used to predict the optimal ME and AA concentrations that maximize MOFC. The effects of changing feed or meat prices across a wide spectrum on optimal ME and AA levels can be evaluated via parametric analysis. The model can rapidly compare both biological and economic implications of changing from current practice to the simulated optimal solution. The model can be exploited to enhance decision making under volatile market conditions.

  18. Silver nanoparticles in complex biological media: assessment of colloidal stability and protein corona formation

    Science.gov (United States)

    Argentiere, Simona; Cella, Claudia; Cesaria, Maura; Milani, Paolo; Lenardi, Cristina

    2016-08-01

    Engineered silver nanoparticles (AgNPs) are among the most used nanomaterials in consumer products, therefore concerns are raised about their potential for adverse effects in humans and environment. Although an increasing number of studies in vitro and in vivo are being reported on the toxicity of AgNPs, most of them suffer from incomplete characterization of AgNPs in the tested biological media. As a consequence, the comparison of toxicological data is troublesome and the toxicity evaluation still remains an open critical issue. The development of a reliable protocol to evaluate interactions of AgNPs with surrounding proteins as well as to assess their colloidal stability is therefore required. In this regard, it is of importance not only to use multiple, easy-to-access and simple techniques but also to understand limitations of each characterization methods. In this work, the morphological and structural behaviour of AgNPs has been studied in two relevant biological media, namely 10 % FBS and MP. Three different techniques (Dynamic Light Scattering, Transmission Electron Microscopy, UV-Vis spectroscopy) were tested for their suitability in detecting AgNPs of three different sizes (10, 40 and 100 nm) coated with either citrate or polyvinylpyrrolidone. Results showed that UV-Vis spectroscopy is the most versatile and informative technique to gain information about interaction between AgNPs and surrounding proteins and to determine their colloidal stability in the tested biological media. These findings are expected to provide useful insights in characterizing AgNPs before performing any further in vitro/in vivo experiment.

  19. Semi- and thiosemicarbazide Mn(II) complexes: Characterization, DFT and biological studies

    Science.gov (United States)

    Yousef, T. A.; Alduaij, O. K.; Ahmed, Sara F.; Abu El-Reash, G. M.; El-Gammal, O. A.

    2016-09-01

    One NO and two NOS donor ligands have been prepared by addition ethanolic suspension of 2-hydrazino-2-oxo-N-phenyl-acetamide to phenyl isocyanate (H2PAPS), phenyl isothiocyanate (H2PAPT) and benzoyl isothiocyanate (H2PABT). The Mn (II) complexes were prepared from the chloride salt and characterized by conventional techniques. The isolated complexes were assigned the formulaes, [Mn(HPAPS)2], [Mn(HPAPT)Cl] and [Mn(HPABT)Cl(H2O)2], respectively. The IR study of ligands and their complexes shows that H2PAPS behaves as a mononegative tridentate via both CO of hydrazide moiety in keto and deprotonated enol form and CN (azomethine) due to enolization of CO cyanate moiety without deprotonation. H2PAPT behaves as mononegative tridentate via CO of hydrazide moiety, deprotonated thiol CS and NH group. Finally H2PABT behaves as mononegative tridentate via deprotonated enolized CO of hydrazide moiety, CO of benzoyl moiety and NH group. The IR spectra of ligands from DFT calculations are compared with those obtained experimentally. Also, HOMO, LUMO, the bond lengths, bond angles, and dipole moments have been calculated. The calculated HOMO-LUMO energy gap reveals that charge transfer occurs within the molecule. The binding energy values display the high stability of complexes. The kinetic and thermodynamic parameters were determined by Coats-Redfern and Horowitz-Metzger methods. The antibacterial activities were also tested against Bacillus subtilis and Escherichia coli bacteria. Finally, the antitumor activities of the Ligands and their Mn(II) complexes have been evaluated against liver (HePG2) and breast (MCF-7) cancer cells.

  20. New Ru(II) pincer complexes: synthesis, characterization and biological evaluation for photodynamic therapy.

    Science.gov (United States)

    Tabrizi, Leila; Chiniforoshan, Hossein

    2016-11-15

    Three new ruthenium(ii) complexes of NCN pincer and phenylcyanamide derivative ligands of the formula [Ru(L)(Ph2phen)(3,5-(NO2)2pcyd)], 1, [Ru(L)(Me2phen)(3,5-(NO2)2pcyd)], 2, and [Ru(L)(Cl2phen)(3,5-(NO2)2pcyd)], 3 (HL: 5-methoxy-1,3-bis(1-methyl-1H-benzo[d]imidazol-2-yl)benzene, 3,5-(NO2)2pcyd: 3,5-(NO2)2pcyd, Ph2phen: 4,7-diphenyl-1,10-phenanthroline, Me2phen: 4,7-dimethyl-1,10-phenanthroline, Cl2phen: 4,7-dichloro-1,10-phenanthroline) have been synthesized and studied as potential photosensitizers (PSs) in photodynamic therapy (PDT). The complexes exhibited promising (1)O2 production quantum yields comparable with PSs available on the market. The DNA-binding interactions of the complexes with calf thymus DNA have been studied by absorption, emission, and viscosity measurements. All complexes cleave SC-DNA efficiently on photoactivation at 350 nm with the formation of singlet oxygen ((1)O2) and hydroxyl radicals (˙OH) in type-II and photoredox pathways. Complexes 1-3 showed very good uptake in cervical cancer cells (HeLa). The compounds studied were found to exhibit low toxicity against HeLa cells (IC50 > 300 μM) and, remarkably, on non-cancerous MRC-5 cells (IC50 > 100 μM) in the dark. However, 1 showed very promising behavior with an increment of about 90 times, in its cytotoxicity upon light illumination at 420 nm in addition to very good human plasma stability.

  1. Copper(ii) mixed-ligand polypyridyl complexes with doxycycline - structures and biological evaluation.

    Science.gov (United States)

    Abosede, Olufunso O; Vyas, Nilima A; Singh, Sushma B; Kumbhar, Avinash S; Kate, Anup; Kumbhar, Anupa A; Khan, Ayesha; Erxleben, Andrea; Smith, Peter; de Kock, Carmen; Hoffmann, Frank; Obaleye, Joshua A

    2016-02-21

    Mixed-ligand Cu(ii) complexes of the type [Cu(doxycycline)(L)(H2O)2](NO3)2, where doxycycline = [4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide] and L = 2,2'-bipyridine (bpy, 1), 1,10-phenanthroline (phen, 2), dipyrido[3,2-d:2',3'-f]quinoxaline (dpq, 3) and dipyrido[3,2-a:2',3'-c]phenazine (dppz, 4) have been synthesised and characterised by structural, analytical, and spectral methods. The single-crystal X-ray structures of 1 and 2 exhibited two different geometries, distorted square-pyramidal and octahedral respectively as well as different coordination modes of doxycycline. Complexes 2-4 exhibit prominent plasmid DNA cleavage at significantly low concentrations probably by an oxidative mechanism. Matrix Metalloproteinase (MMP-2) inhibition studies revealed that all complexes inhibit MMP-2 similar to doxycycline which is a well-known MMP inhibitor with 3 being the most potent. IC50 values of doxycycline and 1-4 against MCF-7 (human breast cancer) and HeLa cell lines were almost equal in which 3 showed the highest efficiency (IC50 = 0.46 ± 0.05 μM), being consistent with its increased MMP inhibition potency. The antimalarial activities of these complexes against the chloroquine-sensitive Plasmodium falciparum NF54 and chloroquine-resistant Plasmodium falciparum Dd2 strains reveal that complex 3 exhibited a higher activity than artesunate drug against the chloroquine-resistant Dd2 strain.

  2. Coordination modes, spectral, thermal and biological evaluation of hetero-metal copper containing 2-thiouracil complexes.

    Science.gov (United States)

    Masoud, Mamdouh S; Soayed, Amina A; El-Husseiny, Amel F

    2012-12-01

    Mononuclear copper complex [CuL(NH(3))(4)]Cl(2)·0.5H(2)O and three new hetero-metallic complexes: [Cu(2)Ni(L)(2)(NH(3))(2)Cl(2)·6H(2)O] 2H(2)O(,) [Cu(3)Co(L)(4)·8H2O]Cl·4(·)5H(2)O, and [Cu(4)Co(2)Ni(L)(3)(OH)(4)(NH(3))Cl(4)·3H(2)O]4H(2)O where L is 2-thiouracil, were prepared and characterized by elemental analyses, molar conductance, room-temperature magnetic susceptibility, spectral (IR, UV-Vis and ESR) studies and thermal analyses techniques (TG, DTG and DTA). The molar conductance data revealed that [CuL(NH(3))(4)]Cl(2)·0.5H(2)O and [Cu(3)Co(L)(4)·8H2O]Cl·4.5H(2)O are electrolytes, while, [Cu(2)Ni(L)(2)(NH(3))(2)Cl(2·)6H(2)O]·2H(2)O and [Cu(4)Co(2)Ni(L)(3)(OH)(4)(NH(3))Cl(4)·3H(2)O]4H(2)O are non-electrolytes. IR spectra showed, that 2-thiouracil ligand behaves as a bidentate or tetradentate ligand. The geometry around the metal atoms is octahedral in all the prepared complexes except in [Cu(4)Co(2)Ni(L)(3)(OH)(4)(NH(3))Cl(4)·3H(2)O]4H(2)O complex where square planar environment around Co(II), Ni(II) and Cu(II) were suggested. Thermal decomposition study of the prepared complexes was monitored by TG, DTG and DTA analyses under N(2) atmosphere. The decomposition course and steps were analyzed. The order of chemical reactions (n) was calculated via the peak symmetry method and the activation parameters of the non- isothermal decomposition were computed from the thermal decomposition data. The negative values of ΔS(∗) deduced the ordered structures of the prepared complexes compared to their starting reactants. The antimicrobial activity of the prepared complexes were screened in vitro against a Gram positive, a Gram negative bacteria, a filamentous fungi and a yeast. The antimicrobial screening data showed that the studied compounds exhibited a good level of activity against Escherichia coli, Staphylococcus aureus and Candida albicans but have no efficacy against Aspergillus flavus. It was observed that [Cu(4)Co(2)Ni(L)(3)(OH)(4)(NH(3))Cl(4)·3H(2

  3. When physics is not "just physics": complexity science invites new measurement frames for exploring the physics of cognitive and biological development.

    Science.gov (United States)

    Kelty-Stephen, Damian; Dixon, James A

    2012-01-01

    The neurobiological sciences have struggled to resolve the physical foundations for biological and cognitive phenomena with a suspicion that biological and cognitive systems, capable of exhibiting and contributing to structure within themselves and through their contexts, are fundamentally distinct or autonomous from purely physical systems. Complexity science offers new physics-based approaches to explaining biological and cognitive phenomena. In response to controversy over whether complexity science might seek to "explain away" biology and cognition as "just physics," we propose that complexity science serves as an application of recent advances in physics to phenomena in biology and cognition without reducing or undermining the integrity of the phenomena to be explained. We highlight that physics is, like the neurobiological sciences, an evolving field and that the threat of reduction is overstated. We propose that distinctions between biological and cognitive systems from physical systems are pretheoretical and thus optional. We review our own work applying insights from post-classical physics regarding turbulence and fractal fluctuations to the problems of developing cognitive structure. Far from hoping to reduce biology and cognition to "nothing but" physics, we present our view that complexity science offers new explanatory frameworks for considering physical foundations of biological and cognitive phenomena.

  4. Identification of Copper(II) Complexes in Aqueous Solution by Electron Spin Resonance: An Undergraduate Coordination Chemistry Experiment.

    Science.gov (United States)

    Micera, G.; And Others

    1984-01-01

    Background, procedures, and results are provided for an experiment which examines, through electron spin resonance spectroscopy, complex species formed by cupric and 2,6-dihydroxybenzoate ions in aqueous solutions. The experiment is illustrative of several aspects of inorganic and coordination chemistry, including the identification of species…

  5. Present Day Biology seen in the Looking Glass of Physics of Complexity

    Science.gov (United States)

    Schuster, P.

    Darwin's theory of variation and selection in its simplest form is directly applicable to RNA evolution in vitro as well as to virus evolution, and it allows for quantitative predictions. Understanding evolution at the molecular level is ultimately related to the central paradigm of structural biology: sequence⇒ structure ⇒ function. We elaborate on the state of the art in modeling and understanding evolution of RNA driven by reproduction and mutation. The focus will be laid on the landscape concept—originally introduced by Sewall Wright—and its application to problems in biology. The relation between genotypes and phenotypes is the result of two consecutive mappings from a space of genotypes called sequence space onto a space of phenotypes or structures, and fitness is the result of a mapping from phenotype space into non-negative real numbers. Realistic landscapes as derived from folding of RNA sequences into structures are characterized by two properties: (i) they are rugged in the sense that sequences lying nearby in sequence space may have very different fitness values and (ii) they are characterized by an appreciable degree of neutrality implying that a certain fraction of genotypes and/or phenotypes cannot be distinguished in the selection process. Evolutionary dynamics on realistic landscapes will be studied as a function of the mutation rate, and the role of neutrality in the selection process will be discussed.

  6. PHYTOLECTINS AND DIAZOTROPHS ARE THE POLYFUNCTIONAL COMPONENTS OF THE COMPLEX BIOLOGICAL COMPOSITIONS

    Directory of Open Access Journals (Sweden)

    Kyrychenko E. V.

    2014-02-01

    Full Text Available The role of lectins and diazotrophic microorganisms as polyfunctional components for creation of new lectin-bacterial biological composition with a view to practical application of agro biotechnology were discussed on the base of literature data and personal author’s experimental results. Phytolectins characterized by varied biological activity such as bioeffector, adap togen, growth-regulatory, fungicide and com munication to the components of a system «plant–soil–microorganisms» in molecular, cellular, organism and systemic levels of organization and functioning of agrophytocenosis. Rhizobacteria have many positive effects on plants and soil, the most determinative among the effects are the ability to fix molecular nitrogen of atmosphere, synthesis of hormonal and antibiotical substances, mobilization of sparingly soluble soil phosphates and decomposition of hazardous chemical compounds. It was justified creation of a new class of lectin-bacterial compositions on a base of phytolectins and diazotrophic microorganisms for increasing of productive potential of symbioses and associations, adaptable plasticity and plants protection and soil ecology improvement as well.

  7. Freshwater fish internals as a promising source of biologically active lipid complexes

    Directory of Open Access Journals (Sweden)

    Samoilovа D. A.

    2015-12-01

    Full Text Available The research on development of technology of fat extraction from freshwater fish entrails has been carried out. The study of mass composition of freshwater fish internals has shown that the highest content of fat (averaged 13,8 % is typical for internals of fish like carp, perch, silver carp, pike. The higher content is typical for silver carp (14.4 % permitting the possibility of its use as a source of lipid complexes. The chemical composition of the internal organs of researched objects has been studied; to justify the rational modes of extracting lipid complexes from freshwater fish internals the methods of extracting fat (thermal, enzymatic and low temperature have been tested. The quality indicators of raw fat have been analyzed and the conclusion on possibility of combining the ways of oil extraction in order to increase its output and improve the quality characteristics has been made

  8. Top-down models in biology: explanation and control of complex living systems above the molecular level.

    Science.gov (United States)

    Pezzulo, Giovanni; Levin, Michael

    2016-11-01

    It is widely assumed in developmental biology and bioengineering that optimal understanding and control of complex living systems follows from models of molecular events. The success of reductionism has overshadowed attempts at top-down models and control policies in biological systems. However, other fields, including physics, engineering and neuroscience, have successfully used the explanations and models at higher levels of organization, including least-action principles in physics and control-theoretic models in computational neuroscience. Exploiting the dynamic regulation of pattern formation in embryogenesis and regeneration requires new approaches to understand how cells cooperate towards large-scale anatomical goal states. Here, we argue that top-down models of pattern homeostasis serve as proof of principle for extending the current paradigm beyond emergence and molecule-level rules. We define top-down control in a biological context, discuss the examples of how cognitive neuroscience and physics exploit these strategies, and illustrate areas in which they may offer significant advantages as complements to the mainstream paradigm. By targeting system controls at multiple levels of organization and demystifying goal-directed (cybernetic) processes, top-down strategies represent a roadmap for using the deep insights of other fields for transformative advances in regenerative medicine and systems bioengineering.

  9. Top-down models in biology: explanation and control of complex living systems above the molecular level

    Science.gov (United States)

    2016-01-01

    It is widely assumed in developmental biology and bioengineering that optimal understanding and control of complex living systems follows from models of molecular events. The success of reductionism has overshadowed attempts at top-down models and control policies in biological systems. However, other fields, including physics, engineering and neuroscience, have successfully used the explanations and models at higher levels of organization, including least-action principles in physics and control-theoretic models in computational neuroscience. Exploiting the dynamic regulation of pattern formation in embryogenesis and regeneration requires new approaches to understand how cells cooperate towards large-scale anatomical goal states. Here, we argue that top-down models of pattern homeostasis serve as proof of principle for extending the current paradigm beyond emergence and molecule-level rules. We define top-down control in a biological context, discuss the examples of how cognitive neuroscience and physics exploit these strategies, and illustrate areas in which they may offer significant advantages as complements to the mainstream paradigm. By targeting system controls at multiple levels of organization and demystifying goal-directed (cybernetic) processes, top-down strategies represent a roadmap for using the deep insights of other fields for transformative advances in regenerative medicine and systems bioengineering. PMID:27807271

  10. The complex symbiotic relationships of bark beetles with microorganisms: a potential practical approach for biological control in forestry.

    Science.gov (United States)

    Popa, Valentin; Déziel, Eric; Lavallée, Robert; Bauce, Eric; Guertin, Claude

    2012-07-01

    Bark beetles, especially Dendroctonus species, are considered to be serious pests of the coniferous forests in North America. Bark beetle forest pests undergo population eruptions, causing region wide economic losses. In order to save forests, finding new and innovative environmentally friendly approaches in wood-boring insect pest management is more important than ever. Several biological control methods have been attempted over time to limit the damage and spreading of bark beetle epidemics. The use of entomopathogenic microorganisms against bark beetle populations is an attractive alternative tool for many biological control programmes in forestry. However, the effectiveness of these biological control agents is strongly affected by environmental factors, as well as by the susceptibility of the insect host. Bark beetle susceptibility to entomopathogens varies greatly between species. According to recent literature, bark beetles are engaged in symbiotic relationships with fungi and bacteria. These types of relationship are very complex and apparently involved in bark beetle defensive mechanisms against pathogens. The latest scientific discoveries in multipartite symbiosis have unravelled unexpected opportunities in bark beetle pest management, which are discussed in this article.

  11. Genetic networking of the Bemisia tabaci cryptic species complex reveals pattern of biological invasions.

    Directory of Open Access Journals (Sweden)

    Paul De Barro

    Full Text Available BACKGROUND: A challenge within the context of cryptic species is the delimitation of individual species within the complex. Statistical parsimony network analytics offers the opportunity to explore limits in situations where there are insufficient species-specific morphological characters to separate taxa. The results also enable us to explore the spread in taxa that have invaded globally. METHODOLOGY/PRINCIPAL FINDINGS: Using a 657 bp portion of mitochondrial cytochrome oxidase 1 from 352 unique haplotypes belonging to the Bemisia tabaci cryptic species complex, the analysis revealed 28 networks plus 7 unconnected individual haplotypes. Of the networks, 24 corresponded to the putative species identified using the rule set devised by Dinsdale et al. (2010. Only two species proposed in Dinsdale et al. (2010 departed substantially from the structure suggested by the analysis. The analysis of the two invasive members of the complex, Mediterranean (MED and Middle East - Asia Minor 1 (MEAM1, showed that in both cases only a small number of haplotypes represent the majority that have spread beyond the home range; one MEAM1 and three MED haplotypes account for >80% of the GenBank records. Israel is a possible source of the globally invasive MEAM1 whereas MED has two possible sources. The first is the eastern Mediterranean which has invaded only the USA, primarily Florida and to a lesser extent California. The second are western Mediterranean haplotypes that have spread to the USA, Asia and South America. The structure for MED supports two home range distributions, a Sub-Saharan range and a Mediterranean range. The MEAM1 network supports the Middle East - Asia Minor region. CONCLUSION/SIGNIFICANCE: The network analyses show a high level of congruence with the species identified in a previous phylogenetic analysis. The analysis of the two globally invasive members of the complex support the view that global invasion often involve very small portions of

  12. Blast Overpressure Studies with Animals and Man: Biological Response to Complex Blast Waves

    Science.gov (United States)

    1993-10-31

    armored vehicle. 4. To investigate the relative importance of the quasi- static pressure rise component of complex waves in I producing trauma by...were to be protected were blocked with a selected I earplug. Each sheep received a preanesthetic intramuscular (IM) injection of atropine sulfate (0.44...ketamine hydrochloride (22 mg/kg), exsanguinated by severing the jugular veins and carotid I arteries, and necropsied. Each animal was assessed for

  13. Microwave Synthesis, Basic Spectral and Biological Evaluation of Some Copper (II Mesoporphyrinic Complexes

    Directory of Open Access Journals (Sweden)

    Rica Boscencu

    2010-05-01

    Full Text Available Cu(II complexes with asymmetrical and symmetrical porphyrinic ligands were synthesized with superior yields using microwave irradiation. The paper presents the synthesis of 5-(3-hydroxyphenyl-10,15,20-tris-(4-carboxymethylphenyl-21,23-Cu(II-porphine in comparison to its symmetrical complex 5,10,15,20-meso-tetrakis-(4-carboxy-methylphenyl-21,23-Cu(II porphine. The two compounds were characterized by FT-IR, UV–Vis and EPR spectroscopy, which fully confirmed the structures. The spectral molecular absorption properties of the porphyrinic complexes were studied in organic solvents (methanol, ethanol, iso-propanol, dimethyl sulfoxide, dimethylformamide and methylene chloride, and the influence of the solvent polarity on the absorbance maxima is described. In order to establish their future potential in biomedical applications preliminary toxicological studies consisting of viability and proliferation of standard tumor cell lines (MCF7 and B16 testing was performed. The obtained results indicate a low toxicity for both compounds and further recommends them for testing in light activation protocols.

  14. Genistein in 1:1 Inclusion Complexes with Ramified Cyclodextrins: Theoretical, Physicochemical and Biological Evaluation

    Directory of Open Access Journals (Sweden)

    Corina Danciu

    2014-01-01

    Full Text Available Genistein is one of the most studied phytocompound in the class of isoflavones, presenting a notable estrogenic activity and in vitro and/or in vivo benefits in different types of cancer such as those of the bladder, kidney, lung, pancreatic, skin and endometrial cancer. A big inconvenience for drug development is low water solubility, which can be solved by using hydrophilic cyclodextrins. The aim of this study is to theoretically analyze, based on the interaction energy, the possibility of a complex formation between genistein (Gen and three different ramified cyclodextrins (CD, using a 1:1 molar ratio Gen:CD. Theoretical data were correlated with a screening of both in vitro and in vivo activity. Proliferation of different human cancer cell lines, antimicrobial activity and angiogenesis behavior was analyzed in order to see if complexation has a beneficial effect for any of the above mentioned activities and if so, which of the three CDs is the most suitable for the incorporation of genistein, and which may lead to future improved pharmaceutical formulations. Results showed antiproliferative activity with different IC50 values for all tested cell lines, remarkable antimicrobial activity on Bacillus subtilis and antiangiogenic activity as revealed by CAM assay. Differences regarding the intensity of the activity for pure and the three Gen complexes were noticed as explained in the text. The data represent a proof that the three CDs can be used for furtherer research towards practical use in the pharmaceutical and medical field.

  15. Genistein in 1:1 inclusion complexes with ramified cyclodextrins: theoretical, physicochemical and biological evaluation.

    Science.gov (United States)

    Danciu, Corina; Soica, Codruta; Oltean, Mircea; Avram, Stefana; Borcan, Florin; Csanyi, Erzsebet; Ambrus, Rita; Zupko, Istvan; Muntean, Delia; Dehelean, Cristina A; Craina, Marius; Popovici, Ramona A

    2014-01-27

    Genistein is one of the most studied phytocompound in the class of isoflavones, presenting a notable estrogenic activity and in vitro and/or in vivo benefits in different types of cancer such as those of the bladder, kidney, lung, pancreatic, skin and endometrial cancer. A big inconvenience for drug development is low water solubility, which can be solved by using hydrophilic cyclodextrins. The aim of this study is to theoretically analyze, based on the interaction energy, the possibility of a complex formation between genistein (Gen) and three different ramified cyclodextrins (CD), using a 1:1 molar ratio Gen:CD. Theoretical data were correlated with a screening of both in vitro and in vivo activity. Proliferation of different human cancer cell lines, antimicrobial activity and angiogenesis behavior was analyzed in order to see if complexation has a beneficial effect for any of the above mentioned activities and if so, which of the three CDs is the most suitable for the incorporation of genistein, and which may lead to future improved pharmaceutical formulations. Results showed antiproliferative activity with different IC50 values for all tested cell lines, remarkable antimicrobial activity on Bacillus subtilis and antiangiogenic activity as revealed by CAM assay. Differences regarding the intensity of the activity for pure and the three Gen complexes were noticed as explained in the text. The data represent a proof that the three CDs can be used for furtherer research towards practical use in the pharmaceutical and medical field.

  16. Microwave synthesis, basic spectral and biological evaluation of some copper (II) mesoporphyrinic complexes.

    Science.gov (United States)

    Boscencu, Rica; Ilie, Mihaela; Socoteanu, Radu; Oliveira, Anabela Sousa; Constantin, Carolina; Neagu, Monica; Manda, Gina; Ferreira, Luis Filipe Vieira

    2010-05-25

    Cu(II) complexes with asymmetrical and symmetrical porphyrinic ligands were synthesized with superior yields using microwave irradiation. The paper presents the synthesis of 5-(3-hydroxyphenyl)-10,15,20-tris-(4-carboxymethylphenyl)-21,23-Cu(II)-porphine in comparison to its symmetrical complex 5,10,15,20-meso-tetrakis-(4-carboxy-methylphenyl)-21,23-Cu(II) porphine. The two compounds were characterized by FT-IR, UV-Vis and EPR spectroscopy, which fully confirmed the structures. The spectral molecular absorption properties of the porphyrinic complexes were studied in organic solvents (methanol, ethanol, iso-propanol, dimethyl sulfoxide, dimethylformamide and methylene chloride), and the influence of the solvent polarity on the absorbance maxima is described. In order to establish their future potential in biomedical applications preliminary toxicological studies consisting of viability and proliferation of standard tumor cell lines (MCF7 and B16) testing was performed. The obtained results indicate a low toxicity for both compounds and further recommends them for testing in light activation protocols.

  17. Translating inter-individual genetic variation to biological function in complex phenotypes

    DEFF Research Database (Denmark)

    Yadav, Rachita

    examines epigenetic, genetic, transcriptomic and proteomic variations within different multifactorial diseases and this pivotal information is then annotated and associated to its corresponding phenotype. Childhood asthma and obesity are the two main phenotypic themes in this thesis. In the first section......The key objectives of this thesis work are to decipher and prioritise observed variations among different phenotypes. With advancements in high throughput technology leading to a surge in biological data, it is imperative to analyse and interpret this information. Consequently, this thesis work......, Chapter 1 provides an introduction to various methodologies utilised in this thesis work. Subsequently, chapters 2, 3 and 4 in the second section, address finding causal variations in childhood asthma. Chapter 2 focuses on a genome wide association study (GWAS) performed on asthma exacerbation case cohort...

  18. Chemical biology tools for regulating RAS signaling complexity in space and time.

    Science.gov (United States)

    van Hattum, Hilde; Waldmann, Herbert

    2014-09-18

    Rat sarcoma (RAS) family members are small GTPases that control a number of signaling pathways important for normal cellular proliferation. Therefore, it is no surprise that a significant portion of human tumors express constitutively active mutated RAS proteins, which leads to deregulation of RAS signaling pathways, resulting in pathological perturbations of cell growth and death. Although the molecular details of RAS signaling cascades are well understood, there is still a largely unmet need for small molecule probes to control RAS signaling in space and time. More broadly, given the prevalence of mutated RAS in cancer, the need to translate the insights obtained from using small molecule probes into clinically useful drugs is also significant. In this review, we introduce RAS proteins and the signaling pathways they are involved in, and discuss some of the innovative chemical biology approaches to regulate RAS signaling, which include the exploitation of newly identified binding pockets, covalent inhibitors for mutated RAS, and RAS localization impairment.

  19. Algorithmic and complexity results for decompositions of biological networks into monotone subsystems.

    Science.gov (United States)

    DasGupta, Bhaskar; Enciso, German Andres; Sontag, Eduardo; Zhang, Yi

    2007-01-01

    A useful approach to the mathematical analysis of large-scale biological networks is based upon their decompositions into monotone dynamical systems. This paper deals with two computational problems associated to finding decompositions which are optimal in an appropriate sense. In graph-theoretic language, the problems can be recast in terms of maximal sign-consistent subgraphs. The theoretical results include polynomial-time approximation algorithms as well as constant-ratio inapproximability results. One of the algorithms, which has a worst-case guarantee of 87.9% from optimality, is based on the semidefinite programming relaxation approach of Goemans-Williamson [Goemans, M., Williamson, D., 1995. Improved approximation algorithms for maximum cut and satisfiability problems using semidefinite programming. J. ACM 42 (6), 1115-1145]. The algorithm was implemented and tested on a Drosophila segmentation network and an Epidermal Growth Factor Receptor pathway model, and it was found to perform close to optimally.

  20. STRUCTURE AND SOME BIOLOGICAL PROPERTIES OF Fe(III COMPLEXES WITH NITROGEN-CONTAINING LIGANDS

    Directory of Open Access Journals (Sweden)

    Ion Bulhac

    2016-06-01

    Full Text Available Four coordination compounds of iron(III with ligands based on hydrazine and sulfadiazine: FeCl3·digsemi·2H2O (I (digsemi-semicarbazide diacetic acid dihydrazide, [Fe(HLSO4] (II (НL - sulfadiazine, [Fe(H2L1(H2O2](NO33·5H2O (III (H2L1-2,6-diacetylpyridine bis(nicotinoylhydrazone and [Fe(H2L2(H2O2](NO33•1.5H2O (IV (H2L2 - 2,6-diacetylpyridine bis(isonicotinoylhydrazone were synthesized. The spectroscopic and structural characterisation as well as their biological, properties are presented.

  1. Structural, morphological, electrical, and optical properties of silver thin films of varying thickness deposited on cupric oxide

    Science.gov (United States)

    Hajakbari, Fatemeh; Shafieinejad, Farzaneh

    2016-03-01

    In this investigation, silver (Ag) films of varying thickness (25-100 nm) were grown on cupric oxide (CuO) on silicon and quartz. The CuO preparation was carried out by the thermal oxidation annealing of copper (Cu) thin films deposited by DC magnetron sputtering. The physical properties of the prepared films were studied by different techniques. Rutherford backscattering spectroscopy (RBS) analysis indicated that the Ag film thickness was about 25-100 nm. X-ray diffraction (XRD) results showed that by increasing Ag thickness, the film crystallinity was improved. Also, atomic force microscopy (AFM) and scanning electron microscopy (SEM) results demonstrated that the surface morphology and the grain size were affected by the Ag film thickness. Furthermore, the electrical resistivity of films determined by four-point probe measurements versus the Ag film thickness was discussed. A reduction in the optical band gap energy of CuO is observed from 1.51 to 1.42 eV with an increase in Ag film thickness to 40 nm in Ag/CuO films.

  2. Oxidative leaching process with cupric ion in hydrochloric acid media for recovery of Pd and Rh from spent catalytic converters

    Energy Technology Data Exchange (ETDEWEB)

    Nogueira, C.A., E-mail: carlos.nogueira@lneg.pt [Laboratório Nacional de Energia e Geologia, I.P., Campus do Lumiar, 1649-038 Lisboa (Portugal); Paiva, A.P., E-mail: appaiva@fc.ul.pt [Centro de Química e Bioquímica, Departamento de Química e Bioquímica, Faculdade de Ciências da Universidade de Lisboa, 1749-016 Lisboa (Portugal); Oliveira, P.C. [Laboratório Nacional de Energia e Geologia, I.P., Campus do Lumiar, 1649-038 Lisboa (Portugal); Costa, M.C., E-mail: mcorada@ualg.pt [Centro de Ciências do Mar, Departamento de Química e Farmácia, Faculdade de Ciências e de Tecnologia, Campus de Gambelas, 8005-139 Faro (Portugal); Costa, A.M. Rosa da, E-mail: amcosta@ualg.pt [Centro de Investigação em Química do Algarve, Departamento de Química e Farmácia, Faculdade de Ciências e de Tecnologia, Campus de Gambelas, 8005-139 Faro (Portugal)

    2014-08-15

    Highlights: • A new leaching process based on Cu{sup 2+}/HCl media for recovering Pd and Rh from spent autocatalytic converters is presented. • Palladium and rhodium were efficiently leached, with attained maximum yields of 95% and 86%, respectively. • Temperature, time, and HCl and Cu{sup 2+} concentrations were found to be significant factors in the leaching of Pd and Rh. - Abstract: The recycling of platinum-group metals from wastes such as autocatalytic converters is getting growing attention due to the scarcity of these precious metals and the market pressure originated by increase of demand in current and emerging applications. Hydrometallurgical treatment of such wastes is an alternative way to the most usual pyrometallurgical processes based on smelter operations. This paper focuses on the development of a leaching process using cupric chloride as oxidising agent, in HCl media, for recovery of palladium and rhodium from a spent catalyst. The chloride media allows the adequate conditions for oxidising and solubilising the metals, as demonstrated by equilibrium calculations based on thermodynamic data. The experimental study of the leaching process revealed that Pd solubilisation is clearly easier than that of Rh. The factors temperature, time, and HCl and Cu{sup 2+} concentrations were significant regarding Pd and Rh leaching, the latter requiring higher factor values to achieve the same results. Leaching yields of 95% Pd and 86% Rh were achieved under optimised conditions (T = 80 °C, t = 4 h, [HCl] = 6 M, [Cu{sup 2+}] = 0.3 M)

  3. Oxidative leaching process with cupric ion in hydrochloric acid media for recovery of Pd and Rh from spent catalytic converters.

    Science.gov (United States)

    Nogueira, C A; Paiva, A P; Oliveira, P C; Costa, M C; da Costa, A M Rosa

    2014-08-15

    The recycling of platinum-group metals from wastes such as autocatalytic converters is getting growing attention due to the scarcity of these precious metals and the market pressure originated by increase of demand in current and emerging applications. Hydrometallurgical treatment of such wastes is an alternative way to the most usual pyrometallurgical processes based on smelter operations. This paper focuses on the development of a leaching process using cupric chloride as oxidising agent, in HCl media, for recovery of palladium and rhodium from a spent catalyst. The chloride media allows the adequate conditions for oxidising and solubilising the metals, as demonstrated by equilibrium calculations based on thermodynamic data. The experimental study of the leaching process revealed that Pd solubilisation is clearly easier than that of Rh. The factors temperature, time, and HCl and Cu(2+) concentrations were significant regarding Pd and Rh leaching, the latter requiring higher factor values to achieve the same results. Leaching yields of 95% Pd and 86% Rh were achieved under optimised conditions (T = 80 °C, t = 4h, [HCl] = 6M, [Cu(2+)] = 0.3M).

  4. Biological Activity and Molecular Structures of Bis(benzimidazole and Trithiocyanurate Complexes

    Directory of Open Access Journals (Sweden)

    Pavel Kopel

    2015-06-01

    Full Text Available 1-(1H-Benzimidazol-2-yl-N-(1H-benzimidazol-2-ylmethylmethanamine (abb and 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl-1H-benzimidazole (tbb have been prepared and characterized by elemental analysis. These bis(benzimidazoles have been further used in combination with trithiocyanuric acid for the preparation of complexes. The crystal and molecular structures of two of them have been solved. Each nickel atom in the structure of trinuclear complex [Ni3(abb3(H2O3(μ-ttc](ClO43·3H2O·EtOH (1, where ttcH3 = trithiocyanuric acid, is coordinated with three N atoms of abb, the N,S donor set of ttc anion and an oxygen of a water molecule. The crystal of [(tbbH2(ttcH22(ttcH3(H2O] (2 is composed of a protonated bis(benzimidazole, two ttcH2 anions, ttcH3 and water. The structure is stabilized by a network of hydrogen bonds. These compounds were primarily synthesized for their potential antimicrobial activity and hence their possible use in the treatment of infections caused by bacteria or yeasts (fungi. The antimicrobial and antifungal activity of the prepared compounds have been evaluated on a wide spectrum of bacterial and yeast strains and clinical specimens isolated from patients with infectious wounds and the best antimicrobial properties were observed in strains after the use of ligand abb and complex 1, when at least 80% growth inhibition was achieved.

  5. Synthesis, radiolabeling and biological evaluation of propylene amine oxime complexes containing nitrotriazoles as hypoxia markers.

    Science.gov (United States)

    Huang, Huafan; Mei, Lei; Chu, Taiwei

    2012-06-04

    Two propylene amine oxime (PnAO) complexes, 1, containing a 3-nitro-1,2,4-triazole and 2, containing two 3-nitro-1,2,4-triazoles, were synthesized and radiolabeled with (99m)Tc in high labeling yields. Cellular uptakes of (99m)Tc-1 and (99m)Tc-2 were tested using a S180 cells line. Under anoxic conditions, the cellular uptakes of (99m)Tc-1 and (99m)Tc-2 were 33.7 ± 0.2% and 35.0 ± 0.7% at 4 h, whereas the normoxic uptakes of the two complexes were 6.0 ± 1.6% and 4.6 ± 0.9%, respectively. Both (99m)Tc-1 and (99m)Tc-2 displayed significant anoxic/normoxic differentials. The cellular uptakes were highly dependent on oxygen and temperature. Biodistribution studies revealed that both (99m)Tc-1 and (99m)Tc-2 showed a selective localization in tumor and slow clearance from it. At 4 h, the tumor-to-muscle ratios (T/M) were 3.79 for (99m)Tc-1 and 4.58 for (99m)Tc-2. These results suggested that (99m)Tc-labeled PnAO complexes (99m)Tc-1 and (99m)Tc-2 might serve as novel hypoxia markers. By introducing a second nitrotriazole redox center, the hypoxic accumulation of the marker was slightly enhanced.

  6. A chemical-biological similarity-based grouping of complex substances as a prototype approach for evaluating chemical alternatives.

    Science.gov (United States)

    Grimm, Fabian A; Iwata, Yasuhiro; Sirenko, Oksana; Chappell, Grace A; Wright, Fred A; Reif, David M; Braisted, John; Gerhold, David L; Yeakley, Joanne M; Shepard, Peter; Seligmann, Bruce; Roy, Tim; Boogaard, Peter J; Ketelslegers, Hans B; Rohde, Arlean M; Rusyn, Ivan

    2016-08-21

    Comparative assessment of potential human health impacts is a critical step in evaluating both chemical alternatives and existing products on the market. Most alternatives assessments are conducted on a chemical-by-chemical basis and it is seldom acknowledged that humans are exposed to complex products, not individual substances. Indeed, substances of Unknown or Variable composition, Complex reaction products, and Biological materials (UVCBs) are ubiquitous in commerce yet they present a major challenge for registration and health assessments. Here, we present a comprehensive experimental and computational approach to categorize UVCBs according to global similarities in their bioactivity using a suite of in vitro models. We used petroleum substances, an important group of UVCBs which are grouped for regulatory approval and read-across primarily on physico-chemical properties and the manufacturing process, and only partially based on toxicity data, as a case study. We exposed induced pluripotent stem cell-derived cardiomyocytes and hepatocytes to DMSO-soluble extracts of 21 petroleum substances from five product groups. Concentration-response data from high-content imaging in cardiomyocytes and hepatocytes, as well as targeted high-throughput transcriptomic analysis of the hepatocytes, revealed distinct groups of petroleum substances. Data integration showed that bioactivity profiling affords clustering of petroleum substances in a manner similar to the manufacturing process-based categories. Moreover, we observed a high degree of correlation between bioactivity profiles and physico-chemical properties, as well as improved groupings when chemical and biological data were combined. Altogether, we demonstrate how novel in vitro screening approaches can be effectively utilized in combination with physico-chemical characteristics to group complex substances and enable read-across. This approach allows for rapid and scientifically-informed evaluation of health impacts of

  7. Improving biological understanding and complex trait prediction by integrating prior information in genomic feature models

    DEFF Research Database (Denmark)

    Edwards, Stefan McKinnon

    the population structures of the two species may affect the results, as the dairy cattle is population with many highly related individuals, while the fruit fly population consists of several entirely inbred sub-populations, but with low relatedness between sub-populations. ---  This thesis demonstrates...... Holstein dairy cattle and the model organism of fruit flies Drosophila melanogaster. In these manuscripts, we use health traits and production traits (the latter only in cattle), which are all complex traits. The union of such odd subjects as dairy cattle and fruit flies enable us to investigate how...

  8. Structural, thermal, morphological and biological studies of proton-transfer complexes formed from 4-aminoantipyrine with quinol and picric acid.

    Science.gov (United States)

    Adam, Abdel Majid A

    2013-03-01

    4-Aminoantipyrine (4AAP) is widely used in the pharmaceutical industry, biochemical experiments and environmental monitoring. However, residual amounts of 4AAP in the environment may pose a threat to human health. To provide basic data that can be used to extract or eliminate 4AAP from the environment, the proton-transfer complexes of 4AAP with quinol (QL) and picric acid (PA) were synthesized and spectroscopically investigated. The interactions afforded two new proton-transfer salts named 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium-4-hydroxyphenolate and 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium-2,4,6-trinitrophenolate for QL and PA, respectively, via a 1:1 stoichiometry. Elemental analysis (CHN), electronic absorption, spectrophotometric titration, IR, Raman, (1)H NMR and X-ray diffraction were used to characterize the new products. The thermal stability of the synthesized CT complexes was investigated using thermogravimetric (TG) analyses, and the morphology and particle size of these complexes were obtained from scanning electron microscopy (SEM). It was found that PA and 4AAP immediately formed a yellow precipitate with a remarkable sponge-like morphology and good thermal stability up to 180°C. Finally, the biological activities of the newly synthesized CT complexes were tested for their antibacterial and antifungal activities. The results indicated that the [(4AAP)(QL)] complex exhibited strong antimicrobial activities against various bacterial and fungal strains compared with standard drugs.

  9. Thiomaltol-Based Organometallic Complexes with 1-Methylimidazole as Leaving Group: Synthesis, Stability, and Biological Behavior.

    Science.gov (United States)

    Hackl, Carmen M; Legina, Maria S; Pichler, Verena; Schmidlehner, Melanie; Roller, Alexander; Dömötör, Orsolya; Enyedy, Eva A; Jakupec, Michael A; Kandioller, Wolfgang; Keppler, Bernhard K

    2016-11-21

    Thiomaltol, a potential S,O-coordinating molecule, has been utilized for the complexation of four different organometallic fragments, yielding the desired Ru(II) , Os(II) , Rh(III) , and Ir(III) complexes having a "piano-stool" configuration. In addition to the synthesis of these compounds with a chlorido leaving group, the analogous 1-methylimidazole derivatives have been prepared, giving rise to thiomaltol-based organometallics with enhanced stability under physiological conditions. The organometallic compounds have been characterized by NMR spectroscopy, elemental analysis, and X-ray diffraction analysis. Their behavior in aqueous solution and their interactions with certain amino acids have been studied by ESI mass spectrometry. Their pH-dependent stability has been investigated by (1) H NMR in aqueous solution, and their cytotoxicity against three different cancer cell lines has been investigated. Furthermore, their capacity as topoisomerase IIα inhibitors as well as their effect on the cell cycle distribution and reactive oxygen species (ROS) generation have been elucidated.

  10. Biological evidence supports an early and complex emergence of the Isthmus of Panama.

    Science.gov (United States)

    Bacon, Christine D; Silvestro, Daniele; Jaramillo, Carlos; Smith, Brian Tilston; Chakrabarty, Prosanta; Antonelli, Alexandre

    2015-05-12

    The linking of North and South America by the Isthmus of Panama had major impacts on global climate, oceanic and atmospheric currents, and biodiversity, yet the timing of this critical event remains contentious. The Isthmus is traditionally understood to have fully closed by ca. 3.5 million years ago (Ma), and this date has been used as a benchmark for oceanographic, climatic, and evolutionary research, but recent evidence suggests a more complex geological formation. Here, we analyze both molecular and fossil data to evaluate the tempo of biotic exchange across the Americas in light of geological evidence. We demonstrate significant waves of dispersal of terrestrial organisms at approximately ca. 20 and 6 Ma and corresponding events separating marine organisms in the Atlantic and Pacific oceans at ca. 23 and 7 Ma. The direction of dispersal and their rates were symmetrical until the last ca. 6 Ma, when northern migration of South American lineages increased significantly. Variability among taxa in their timing of dispersal or vicariance across the Isthmus is not explained by the ecological factors tested in these analyses, including biome type, dispersal ability, and elevation preference. Migration was therefore not generally regulated by intrinsic traits but more likely reflects the presence of emergent terrain several millions of years earlier than commonly assumed. These results indicate that the dramatic biotic turnover associated with the Great American Biotic Interchange was a long and complex process that began as early as the Oligocene-Miocene transition.

  11. Novel Organotin(IV) Schiff Base Complexes with Histidine Derivatives: Synthesis, Characterization, and Biological Activity

    Science.gov (United States)

    Garza-Ortiz, Ariadna; Camacho-Camacho, Carlos; Sainz-Espuñes, Teresita; Rojas-Oviedo, Irma; Gutiérrez-Lucas, Luis Raúl; Gutierrez Carrillo, Atilano; Vera Ramirez, Marco A.

    2013-01-01

    Five novel tin Schiff base complexes with histidine analogues (derived from the condensation reaction between L-histidine and 3,5-di-tert-butyl-2-hydroxybenzaldehyde) have been synthesized and characterized. Characterization has been completed by IR and high-resolution mass spectroscopy, 1D and 2D solution NMR (1H, 13C  and 119Sn), as well as solid state 119Sn NMR. The spectroscopic evidence shows two types of structures: a trigonal bipyramidal stereochemistry with the tin atom coordinated to five donating atoms (two oxygen atoms, one nitrogen atom, and two carbon atoms belonging to the alkyl moieties), where one molecule of ligand is coordinated in a three dentate fashion. The second structure is spectroscopically described as a tetrahedral tin complex with four donating atoms (one oxygen atom coordinated to the metal and three carbon atoms belonging to the alkyl or aryl substituents), with one molecule of ligand attached. The antimicrobial activity of the tin compounds has been tested against the growth of bacteria in vitro to assess their bactericidal properties. While pentacoordinated compounds 1, 2, and 3 are described as moderate effective to noneffective drugs against both Gram-positive and Gram-negative bacteria, tetracoordinated tin(IV) compounds 4 and 5 are considered as moderate effective and most effective compounds, respectively, against the methicillin-resistant Staphylococcus aureus strains (Gram-positive). PMID:23864839

  12. Novel Organotin(IV Schiff Base Complexes with Histidine Derivatives: Synthesis, Characterization, and Biological Activity

    Directory of Open Access Journals (Sweden)

    Ariadna Garza-Ortiz

    2013-01-01

    Full Text Available Five novel tin Schiff base complexes with histidine analogues (derived from the condensation reaction between L-histidine and 3,5-di-tert-butyl-2-hydroxybenzaldehyde have been synthesized and characterized. Characterization has been completed by IR and high-resolution mass spectroscopy, 1D and 2D solution NMR (1H, 13C  and 119Sn, as well as solid state 119Sn NMR. The spectroscopic evidence shows two types of structures: a trigonal bipyramidal stereochemistry with the tin atom coordinated to five donating atoms (two oxygen atoms, one nitrogen atom, and two carbon atoms belonging to the alkyl moieties, where one molecule of ligand is coordinated in a three dentate fashion. The second structure is spectroscopically described as a tetrahedral tin complex with four donating atoms (one oxygen atom coordinated to the metal and three carbon atoms belonging to the alkyl or aryl substituents, with one molecule of ligand attached. The antimicrobial activity of the tin compounds has been tested against the growth of bacteria in vitro to assess their bactericidal properties. While pentacoordinated compounds 1, 2, and 3 are described as moderate effective to noneffective drugs against both Gram-positive and Gram-negative bacteria, tetracoordinated tin(IV compounds 4 and 5 are considered as moderate effective and most effective compounds, respectively, against the methicillin-resistant Staphylococcus aureus strains (Gram-positive.

  13. Novel vanadyl complexes of alginate saccharides: synthesis, characterization, and biological activities.

    Science.gov (United States)

    Liu, Shengyi; Liu, Guangyang; Yi, Yuetao

    2015-05-05

    Vanadium compounds present many physiological functions. However, vanadium(IV) and (V) salts are difficult for gastrointestinal absorption and have strong side effects. Therefore organic oxovanadium compounds gain more attention. Vanadyl alginate polysaccharides (VAPS) and vanadyl alginate oligosaccharides (VAOS) were obtained from aqueous solutions of VOSO4 at pH 12. They were characterized by infrared spectroscopy, UV-vis spectroscopy and inductively coupled plasma-mass spectrometry (ICP-MS). The antioxidant activity of oxovanadium(IV) complexes was investigated in hydroxyl and DPPH radical scavenging systems in vitro. The results reveal that activities of VAPS and VAOS in the two systems were stronger than those of alginate polysaccharides (APS) and alginate oligosaccharides (AOS), respectively. In addition, VAPS and VAOS promoted significantly the antiproliferation of ligands of human hepatoma cell line BEL-7402. Oxovanadium(IV) complexes were potent inhibitors of protein tyrosine phosphatase 1B (PTP1B) with IC50 values in the range of 6.4-18.7μg/mL, indicated in biochemical assays. In addition, Vanadyl-alginate had no significant side effects on proliferation and viability of HL-7702 hepatic cells. In the future, they can be added to medicines and ease the growing threat that cancer and diabetes mellitus cause to human health.

  14. Synthesis, structural studies and biological activity of new Cu(II) complexes with acetyl derivatives of 7-hydroxy-4-methylcoumarin.

    Science.gov (United States)

    Klepka, Marcin T; Drzewiecka-Antonik, Aleksandra; Wolska, Anna; Rejmak, Paweł; Ostrowska, Kinga; Hejchman, Elżbieta; Kruszewska, Hanna; Czajkowska, Agnieszka; Młynarczuk-Biały, Izabela; Ferenc, Wiesława

    2015-04-01

    The new Cu(II) complexes with 6-acetyl-7-hydroxy-4-methylcoumarin (HL1) and 8-acetyl-7-hydroxy-4-methylcoumarin (HL2) have been obtained by the electrochemical method. The density functional theory calculations and X-ray absorption spectroscopy techniques have been used to geometrically describe a series of new compounds. The studies have been focused on the coordination mode of the hydroxy ligands to the metallic centre. The complexes, Cu(HL1)2 and Cu(HL2)2⋅0.5H2O, have flat square geometry with oxygen atoms in the first coordination sphere. Two bidentate anionic coumarins are bonded to the metal cation via the acetyl and deprotonated hydroxyl O atoms. Biological activity, including microbiological and cytotoxic, has been evaluated and found to be enhanced in comparison with the parent ligands. Moreover, the Cu(II) complex with 8-acetyl-7-hydroxy-4-methylcoumarin shows similar antifungal activity as commercially used fluconazole.

  15. Role of cell-cell adhesion complexes in embryonic stem cell biology.

    Science.gov (United States)

    Pieters, Tim; van Roy, Frans

    2014-06-15

    Pluripotent embryonic stem cells (ESCs) can self-renew or differentiate into any cell type within an organism. Here, we focus on the roles of cadherins and catenins - their cytoplasmic scaffold proteins - in the fate, maintenance and differentiation of mammalian ESCs. E-cadherin is a master stem cell regulator that is required for both mouse ESC (mESC) maintenance and differentiation. E-cadherin interacts with key components of the naive stemness pathway and ablating it prevents stem cells from forming well-differentiated teratomas or contributing to chimeric animals. In addition, depleting E-cadherin converts naive mouse ESCs into primed epiblast-like stem cells (EpiSCs). In line with this, a mesenchymal-to-epithelial transition (MET) occurs during reprogramming of somatic cells towards induced pluripotent stem cells (iPSCs), leading to downregulation of N-cadherin and acquisition of high E-cadherin levels. β-catenin exerts a dual function; it acts in cadherin-based adhesion and in WNT signaling and, although WNT signaling is important for stemness, the adhesive function of β-catenin might be crucial for maintaining the naive state of stem cells. In addition, evidence is rising that other junctional proteins are also important in ESC biology. Thus, precisely regulated levels and activities of several junctional proteins, in particular E-cadherin, safeguard naive pluripotency and are a prerequisite for complete somatic cell reprogramming.

  16. Synthesis, crystal, and biological activity of a novel carbene silver(I) complex with imidazole derivative

    Energy Technology Data Exchange (ETDEWEB)

    Jiu-Fu, Lu, E-mail: jiufulu@163.com; Hong-Guang, Ge; Juan, Shi [Chemical Engineering College, Shaanxi University of Technology (China)

    2015-12-15

    Reaction of 2-(1-methyl-1,2-dihydroimidazol-3-yl)acetonitrile tetrafluoroborate with silver oxide in dichloromethane readily yields [Ag(DIM){sub 2}]BF{sub 4}, where DIM is 2-(1-methyl-1, 2-dihydroimidazol-3-yl)acetonitrile, representing a carbene organic ligand. The title compound was characterized by elemental analysis, IR, MS and single crystal X-ray diffraction. The crystal is of monoclinic system, space group C2/c with a = 14.010(18), b = 8.303(11), c = 14.936(20) Å, β = 93.910(4)°, V = 1639(4) Å{sup 3}, Z = 4, D{sub x} = 1.771 g/cm{sup 3}, F (000) = 864, µ(MoK{sub α}) = 1.278 mm{sup –1}. The final R{sup 1} = 0.0711 and wR{sup 2} = 0.1903 for reflections with I > 2σ(I). In addition, the preliminary biological test showed that the title compound had anti-fungus yeast activity.

  17. Technological advances for deciphering the complexity of psychiatric disorders: merging proteomics with cell biology.

    Science.gov (United States)

    Wesseling, Hendrik; Guest, Paul C; Lago, Santiago G; Bahn, Sabine

    2014-08-01

    Proteomic studies have increased our understanding of the molecular pathways affected in psychiatric disorders. Mass spectrometry and two-dimensional gel electrophoresis analyses of post-mortem brain samples from psychiatric patients have revealed effects on synaptic, cytoskeletal, antioxidant and mitochondrial protein networks. Multiplex immunoassay profiling studies have found alterations in hormones, growth factors, transport and inflammation-related proteins in serum and plasma from living first-onset patients. Despite these advances, there are still difficulties in translating these findings into platforms for improved treatment of patients and for discovery of new drugs with better efficacy and side effect profiles. This review describes how the next phase of proteomic investigations in psychiatry should include stringent replication studies for validation of biomarker candidates and functional follow-up studies which can be used to test the impact on physiological function. All biomarker candidates should now be tested in series with traditional and emerging cell biological approaches. This should include investigations of the effects of post-translational modifications, protein dynamics and network analyses using targeted proteomic approaches. Most importantly, there is still an urgent need for development of disease-relevant cellular models for improved translation of proteomic findings into a means of developing novel drug treatments for patients with these life-altering disorders.

  18. Water Complexes Take Part in Biological Effect Created by Weak Combined Magnetic Field

    Science.gov (United States)

    Sheykina, Nadiia

    2016-07-01

    It was revealed experimentally that at small level of magnetic field's noise (less than 4µT/Hz0.5) the dependence of gravitropc reaction of cress roots on frequency had a fine structure/ The peak that corresponded to the cyclotron frequency of Ca2+ ions for the static component of combined magnetic field that was equal to 40µT became split up into three peaks ( f1 = 31/3Hz, f2 = 32.5Hz i f3 = 34 Hz./ . The frequency f1 corresponded to the Ca2+ ion (theoretical value 31.6 Hz), the frequency f2 corresponded to the hydronium ion H3O+ (theoretical value 32.9 Hz), the frequency f3 corresponded to OH- ion (theoretical value 35 Hz). Taking into account the influence of combined magnetic field on hydronium ions and Del Giudice' hypothesis one may throw away doubts about the possibility of ion cyclotron resonance. The hydronium ions are unusual because they have a long free path length. It was revealed that pH of the distillated water changed under the treatment in combined magnetic field tuned to cyclotron frequency of hydronium ion. Such changes in pH had to lead to the biological effects on the molecular ,cell and organism levels.

  19. The Role of Model Integration in Complex Systems Modelling An Example from Cancer Biology

    CERN Document Server

    Patel, Manish

    2010-01-01

    Model integration – the process by which different modelling efforts can be brought together to simulate the target system – is a core technology in the field of Systems Biology. In the work presented here model integration was addressed directly taking cancer systems as an example. An in-depth literature review was carried out to survey the model forms and types currently being utilised. This was used to formalise the main challenges that model integration poses, namely that of paradigm (the formalism on which a model is based), focus (the real-world system the model represents) and scale. A two-tier model integration strategy, including a knowledge-driven approach to address model semantics, was developed to tackle these challenges. In the first step a novel description of models at the level of behaviour, rather than the precise mathematical or computational basis of the model, is developed by distilling a set of abstract classes and properties. These can accurately describe model behaviour and hence d...

  20. Biology of cancer and aging: a complex association with cellular senescence.

    Science.gov (United States)

    Falandry, Claire; Bonnefoy, Marc; Freyer, Gilles; Gilson, Eric

    2014-08-20

    Over the last 50 years, major improvements have been made in our understanding of the driving forces, both parallel and opposing, that lead to aging and cancer. Many theories on aging first proposed in the 1950s, including those associated with telomere biology, senescence, and adult stem-cell regulation, have since gained support from cumulative experimental evidence. These views suggest that the accumulation of mutations might be a common driver of both aging and cancer. Moreover, some tumor suppressor pathways lead to aging in line with the theory of antagonist pleiotropy. According to the evolutionary-selected disposable soma theory, aging should affect primarily somatic cells. At the cellular level, both intrinsic and extrinsic pathways regulate aging and senescence. However, increasing lines of evidence support the hypothesis that these driving forces might be regulated by evolutionary-conserved pathways that modulate energy balance. According to the hyperfunction theory, aging is a quasi-program favoring both age-related diseases and cancer that could be inhibited by the regulation of longevity pathways. This review summarizes these hypotheses, as well as the experimental data that have accumulated over the last 60 years linking aging and cancer.

  1. Simultaneous total antioxidant capacity assay of lipophilic and hydrophilic antioxidants in the same acetone-water solution containing 2% methyl-beta-cyclodextrin using the cupric reducing antioxidant capacity (CUPRAC) method.

    Science.gov (United States)

    Ozyürek, Mustafa; Bektaşoğlu, Burcu; Güçlü, Kubilay; Güngör, Nilay; Apak, Reşat

    2008-12-07

    Antioxidants are health beneficial compounds that can protect cells from the damage caused by unstable molecules known as reactive oxygen species (ROS). This work reports the capacity assay of both lipophilic and hydrophilic antioxidants simultaneously, by making use of their 'host-guest' complexes with methyl-beta-cyclodextrin (M-beta-CD), a cyclic oligosaccharide, in acetonated aqueous medium using the cupric reducing antioxidant capacity (CUPRAC) method. Thus the order of antioxidant potency of various compounds irrespective of their lipophilicity could be established in the same solvent medium. M-beta-CD was introduced as the water solubility enhancer for lipophilic antioxidants. Two percent M-beta-CD (w/v) in an acetone-H(2)O (9:1, v/v) mixture was found to sufficiently solubilize beta-carotene, lycopene, vitamin E, vitamin C, synthetic antioxidants and other phenolic antioxidants. This assay was validated through linearity, additivity, precision, and recovery. The validation results demonstrate that the CUPRAC assay is reliable and robust. In acetonated aqueous solution of M-beta-CD, only CUPRAC and 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays were capable of measuring carotenoids together with hydrophilic antioxidants. The CUPRAC antioxidant capacities of a wide range of polyphenolics and flavonoids were experimentally reported in this work as trolox equivalent antioxidant capacity (TEAC) in the CUPRAC assay, and compared to those found by reference methods, ABTS/horseradish peroxidase (HRP)-H(2)O(2) and ferric reducing antioxidant power (FRAP) assays.

  2. A Numerical Algorithm for Complex Biological Flow in Irregular Microdevice Geometries

    Energy Technology Data Exchange (ETDEWEB)

    Nonaka, A; Miller, G H; Marshall, T; Liepmann, D; Gulati, S; Trebotich, D; Colella, P

    2003-12-15

    We present a numerical algorithm to simulate non-Newtonian flow in complex microdevice components. The model consists of continuum viscoelastic incompressible flow in irregular microscale geometries. Our numerical approach is the projection method of Bell, Colella and Glaz (BCG) to impose the incompressibility constraint coupled with the polymeric stress splitting discretization of Trebotich, Colella and Miller (TCM). In this approach we exploit the hyperbolic structure of the equations of motion to achieve higher resolution in the presence of strong gradients and to gain an order of magnitude in the timestep. We also extend BCG and TCM to an embedded boundary method to treat irregular domain geometries which exist in microdevices. Our method allows for particle representation in a continuum fluid. We present preliminary results for incompressible viscous flow with comparison to flow of DNA and simulants in microchannels and other components used in chem/bio microdevices.

  3. Functional liposomes and supported lipid bilayers: towards the complexity of biological archetypes.

    Science.gov (United States)

    Berti, Debora; Caminati, Gabriella; Baglioni, Piero

    2011-05-21

    This perspective paper provides some illustrative examples on the interplay between information gathered on planar supported lipid bilayers (SLB) and unilamellar lipid vesicles (ULV) to get an integrated description of phenomena occurring at the nanoscale that involve locally bilayered structures. Similarities and differences are underlined and critically compared in terms of biomimetic fidelity and instrumental accessibility to structural and dynamical parameters, focusing on some recent reports that either explicitly address this comparison or introducing some studies that separately investigate the same process in SLB and lipid vesicles. Despite the structural similarity on the nanoscale, the different topology implies radically different characterization techniques that have evolved in sectorial and separated approaches. The quest for increasing levels of compositional complexity for bilayered systems should not result in a loss of structural and dynamical control: this is the central challenge of future research in this area, where the integrated approach highlighted in this contribution would enable improved levels of understanding.

  4. Human NK Cell Subsets in Pregnancy and Disease: Toward a New Biological Complexity

    Science.gov (United States)

    Cristiani, Costanza Maria; Palella, Eleonora; Sottile, Rosa; Tallerico, Rossana; Garofalo, Cinzia; Carbone, Ennio

    2016-01-01

    In humans, NK cells are mainly identified by the surface expression levels of CD56 and CD16, which differentiate between five functionally different NK cell subsets. However, nowadays NK cells are considered as a more heterogeneous population formed by various subsets differing in function, surface phenotype, and anatomic localization. In human CMV- and hantaviruses-infected subjects, an increased frequency of a NKG2A−CD57+NKG2C+ NK cell subset has been observed, while the phenotype of the NK cell subpopulation associated with cancer may vary according to the specific kind of tumor and its anatomical location. The healthy human lymph nodes contain mainly the CD56bright NK cell subset while in melanoma metastatic lymph nodes the CD56dimCD57+KIR+CCR7+ NK cell subpopulation prevails. The five NK cell subpopulations are found in breast cancer patients, where they differ for expression pattern of chemokine receptors, maturation stage, functional capabilities. In pregnancy, uterine NK cells show a prevalence of the CD56brightCD16− NK cell compartment, whose activity is influenced by KIRs repertoire. This NK cell subset’s super specialization could be explained by (i) the expansion of single mature CD56dim clones, (ii) the recruitment and maturation of CD56bright NK cells through specific stimuli, and (iii) the in situ development of tumor-resident NK cells from tissue-resident CD56bright NK cells independently of the circulating NK cell compartment. This new and unexpected biological feature of the NK cell compartment could be an important source of new biomarkers to improve patients’ diagnosis. PMID:28082990

  5. Collision cross sections of proteins and their complexes: a calibration framework and database for gas-phase structural biology.

    Science.gov (United States)

    Bush, Matthew F; Hall, Zoe; Giles, Kevin; Hoyes, John; Robinson, Carol V; Ruotolo, Brandon T

    2010-11-15

    Collision cross sections in both helium and nitrogen gases were measured directly using a drift cell with RF ion confinement inserted within a quadrupole/ion mobility/time-of-flight hybrid mass spectrometer (Waters Synapt HDMS, Manchester, U.K.). Collision cross sections for a large set of denatured peptide, denatured protein, native-like protein, and native-like protein complex ions are reported here, forming a database of collision cross sections that spans over 2 orders of magnitude. The average effective density of the native-like ions is 0.6 g cm(-3), which is significantly lower than that for the solvent-excluded regions of proteins and suggests that these ions can retain significant memory of their solution-phase structures rather than collapse to globular structures. Because the measurements are acquired using an instrument that mimics the geometry of the commercial Synapt HDMS instrument, this database enables the determination of highly accurate collision cross sections from traveling-wave ion mobility data through the use of calibration standards with similar masses and mobilities. Errors in traveling-wave collision cross sections determined for native-like protein complexes calibrated using other native-like protein complexes are significantly less than those calibrated using denatured proteins. This database indicates that collision cross sections in both helium and nitrogen gases can be well-correlated for larger biomolecular ions, but non-correlated differences for smaller ions can be more significant. These results enable the generation of more accurate three-dimensional models of protein and other biomolecular complexes using gas-phase structural biology techniques.

  6. New and improved proteomics technologies for understanding complex biological systems: addressing a grand challenge in the life sciences.

    Science.gov (United States)

    Hood, Leroy E; Omenn, Gilbert S; Moritz, Robert L; Aebersold, Ruedi; Yamamoto, Keith R; Amos, Michael; Hunter-Cevera, Jennie; Locascio, Laurie

    2012-09-01

    This White Paper sets out a Life Sciences Grand Challenge for Proteomics Technologies to enhance our understanding of complex biological systems, link genomes with phenotypes, and bring broad benefits to the biosciences and the US economy. The paper is based on a workshop hosted by the National Institute of Standards and Technology (NIST) in Gaithersburg, MD, 14-15 February 2011, with participants from many federal R&D agencies and research communities, under the aegis of the US National Science and Technology Council (NSTC). Opportunities are identified for a coordinated R&D effort to achieve major technology-based goals and address societal challenges in health, agriculture, nutrition, energy, environment, national security, and economic development.

  7. A novel procedure for the identification of chaos in complex biological systems

    Science.gov (United States)

    Bazeia, D.; Pereira, M. B. P. N.; Brito, A. V.; Oliveira, B. F. De; Ramos, J. G. G. S.

    2017-03-01

    We demonstrate the presence of chaos in stochastic simulations that are widely used to study biodiversity in nature. The investigation deals with a set of three distinct species that evolve according to the standard rules of mobility, reproduction and predation, with predation following the cyclic rules of the popular rock, paper and scissors game. The study uncovers the possibility to distinguish between time evolutions that start from slightly different initial states, guided by the Hamming distance which heuristically unveils the chaotic behavior. The finding opens up a quantitative approach that relates the correlation length to the average density of maxima of a typical species, and an ensemble of stochastic simulations is implemented to support the procedure. The main result of the work shows how a single and simple experimental realization that counts the density of maxima associated with the chaotic evolution of the species serves to infer its correlation length. We use the result to investigate others distinct complex systems, one dealing with a set of differential equations that can be used to model a diversity of natural and artificial chaotic systems, and another one, focusing on the ocean water level.

  8. Flower Morphology, Pollination Biology and Mating System of the Complex Flower of Vigna caracalla (Fabaceae: Papilionoideae)

    Science.gov (United States)

    Etcheverry, Angela Virginia; Alemán, Maria Mercedes; Fleming, Trinidad Figueroa

    2008-01-01

    Background and Aims Vigna caracalla has the most complex flower among asymmetrical Papilionoideae. The objective of this study was to understand the relationships among floral characteristics, specialization, mating system and the role of floral visitors under different ecological contexts. Methods Five populations were studied in north-western Argentina, from 700 to 1570 m a.s.l. Anthesis, colour and odour patterns, stigmatic receptivity, visitors and pollination mechanism were examined and mating-system experiments were performed. Key Results The petals are highly modified and the keel shows 3·75–5·25 revolutions. The sense of asymmetry was always left-handed. Hand-crosses showed that V. caracalla is self-compatible, but depends on pollinators to set seeds. Hand-crossed fruits were more successful than hand-selfed ones, with the exception of the site at the highest elevation. Bombus morio (queens and workers), Centris bicolor, Eufriesea mariana and Xylocopa eximia trigger the pollination mechanism (a ‘brush type’). The greatest level of self-compatibility and autonomous self-pollination were found at the highest elevation, together with the lowest reproductive success and number of pollinators (B. morio workers only). Conclusions Self-fertilization may have evolved in the peripheral population at the highest site of V. caracalla because of the benefits of reproductive assurance under reduced pollinator diversity. PMID:18587133

  9. Microwave Assisted Synthesis, Spectrofluorometric Characterization of Azomethine as Intermediate for Transition Metal Complexes with Biological Application.

    Science.gov (United States)

    Zayed, Mohie E M; Asiri, Abdullah M; Khan, Salman A

    2016-05-01

    Azomethine (1, 5 - Dimethyl - 2 - phenyl -[(3, 4, 5 -trimethoxybenzylidene) amino] -1, 2 - dihydropyrazol - 3 - one) (DTAD) was synthesized by the reaction of 4-aminophenazone with 3,4,5 trimrthoxybenzaldehyd by microwave irradiation. Physicochemical studies such as electronic absorption, molar absorptivity, oscillator strength, dipole moment, florescent quantum yield were investigated in order to explore the analytical potential of azomethine dye. Azomethine go through the solubilization in different micelles and may be used as a probe or quencher to determine the critical micelle concentration (CMC) of SDS and CTAB. It's coordinate to metal salt through the pyrazol-3-one oxygen and the azomethine nitrogen. The structure of ligand and its meal complexes was elucidated by IR, (1)H, (13)C-NMR, EI-MS spectroscopic methods and elemental analysis. The antibacterial activity of these compounds were first tested in vitro by the disc diffusion assay against two Gram-positive and two Gram-negative bacteria, and then the minimum inhibitory concentration was using chloramphenicol as reference drug. The results showed that compound 1.1 is better inhibitor of both types of tested bacteria as compared to chloramphenicol.

  10. Measurement issues associated with quantitative molecular biology analysis of complex food matrices for the detection of food fraud.

    Science.gov (United States)

    Burns, Malcolm; Wiseman, Gordon; Knight, Angus; Bramley, Peter; Foster, Lucy; Rollinson, Sophie; Damant, Andrew; Primrose, Sandy

    2016-01-07

    Following a report on a significant amount of horse DNA being detected in a beef burger product on sale to the public at a UK supermarket in early 2013, the Elliott report was published in 2014 and contained a list of recommendations for helping ensure food integrity. One of the recommendations included improving laboratory testing capacity and capability to ensure a harmonised approach for testing for food authenticity. Molecular biologists have developed exquisitely sensitive methods based on the polymerase chain reaction (PCR) or mass spectrometry for detecting the presence of particular nucleic acid or peptide/protein sequences. These methods have been shown to be specific and sensitive in terms of lower limits of applicability, but they are largely qualitative in nature. Historically, the conversion of these qualitative techniques into reliable quantitative methods has been beset with problems even when used on relatively simple sample matrices. When the methods are applied to complex sample matrices, as found in many foods, the problems are magnified resulting in a high measurement uncertainty associated with the result which may mean that the assay is not fit for purpose. However, recent advances in the technology and the understanding of molecular biology approaches have further given rise to the re-assessment of these methods for their quantitative potential. This review focuses on important issues for consideration when validating a molecular biology assay and the various factors that can impact on the measurement uncertainty of a result associated with molecular biology approaches used in detection of food fraud, with a particular focus on quantitative PCR-based and proteomics assays.

  11. A differential genome-wide transcriptome analysis: impact of cellular copper on complex biological processes like aging and development.

    Directory of Open Access Journals (Sweden)

    Jörg Servos

    explain the underlying mechanisms controlling complex biological processes like aging and development.

  12. Biologic surveys for the Sandia National Laboratories, Coyote Canyon Test Complex, Kirtland Air Force Base, Albuquerque, New Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, R.M. [4115 Allen Dr., Kingsville, TX (United States); Knight, P.J. [Marron and Associates, Inc., Corrales, NM (United States)

    1994-05-25

    This report provides results of a comprehensive biologic survey performed in Coyote Canyon Test Complex (CCTC), Sandia National Laboratories (SNL), Bernalillo County, New Mexico, which was conducted during the spring and summer of 1992 and 1993. CCTC is sited on land owned by the Department of Energy (DOE) and Kirtland Air Force Base and managed by SNL. The survey covered 3,760 acres of land, most of which is rarely disturbed by CCTC operations. Absence of grazing by livestock and possibly native ungulates, and relative to the general condition of private range lands throughout New Mexico, and relative to other grazing lands in central New Mexico. Widely dispersed, low intensity use by SNL as well as prohibition of grazing has probably contributed to abundance of special status species such as grama grass cactus within the CCTC area. This report evaluates threatened and endangered species found in the area, as well as comprehensive assessment of biologic habitats. Included are analyses of potential impacts and mitigative measures designed to reduce or eliminate potential impacts. Included is a summary of CCTC program and testing activities.

  13. Multifrequency EPR Spectroscopy: A Toolkit for the Characterization of Mono- and Di-nuclear Metal Ion Centers in Complex Biological Systems

    Science.gov (United States)

    Hanson, Graeme R.

    Metalloenzymes are ubiquitous in nature containing complex metal ion cofactors intimately involved in the enzymes' biological function. The application of multifrequency continuous wave and orientation selective pulsed EPR in conjunction with computer simulation and density functional theory calculations has proven to be a powerful toolkit for the geometric and electronic structural characterization of these metal ion cofactors in the resting enzyme, enzyme-substrate and -product complexes, which in turn provides a detailed understanding of the enzymes' catalytic mechanism. In this chapter, a brief description of the multifrequency EPR toolkit used to structurally (geometric and electronic) characterize metal ion binding sites in complex biological systems and its application in the structural characterization of (i) molybdenum containing enzymes and model complexes, (ii) mono- and di-nuclear copper(II) cyclic peptide complexes (marine and synthetic analogues) and (iii) dinuclear metal ion centers in purple acid phosphatases will be presented.

  14. Determination of size- and number-based concentration of silica nanoparticles in a complex biological matrix by online techniques.

    Science.gov (United States)

    Bartczak, Dorota; Vincent, Phil; Goenaga-Infante, Heidi

    2015-06-02

    We propose for the first time methodology for the determination of a number-based concentration of silica (SiO2) nanoparticles (NP) in biological serum using nanoparticle tracking analysis (NTA) as the online detector for asymmetric flow field-flow fractionation (AF4). The degree of selectivity offered by AF4 was found necessary to determine reliably number-based concentration of the measured NP in the complex matrix with a relative measurement error of 5.1% (as relative standard deviation, n = 3) and without chemical sample pretreatment. The simultaneous online coupling to other size and concentration detectors, such as multiangle light scattering (MALS) and ICPMS, for the measurement of the same NP suspension, was used to confirm the particle size determined with NTA and the equivalent particle number determined by AF4/NTA, respectively. The size- and number-based concentration data obtained by independent techniques were in a good agreement. The developed methodology can easily be extended to other types of particles or particle suspensions and other complex matrices provided that the particle size is above the limit of detection for NTA.

  15. Complexity

    CERN Document Server

    Gershenson, Carlos

    2011-01-01

    The term complexity derives etymologically from the Latin plexus, which means interwoven. Intuitively, this implies that something complex is composed by elements that are difficult to separate. This difficulty arises from the relevant interactions that take place between components. This lack of separability is at odds with the classical scientific method - which has been used since the times of Galileo, Newton, Descartes, and Laplace - and has also influenced philosophy and engineering. In recent decades, the scientific study of complexity and complex systems has proposed a paradigm shift in science and philosophy, proposing novel methods that take into account relevant interactions.

  16. Multimodal representation contributes to the complex development of science literacy in a college biology class

    Science.gov (United States)

    Bennett, William Drew

    educators are communicating ideas and concepts to their audience with more than simple text. A focused holistic rubric was designed in this study to score how well students in this class were able to incorporate aspects of multimodality into their writing assignments. Using these scores and factors within the rubric (ex. Number of original modes created) they were correlated with classroom performance scores to determine the strength and direction of the relationship. Classroom observations of lectures and discussion sections along with personal interviews with students and teaching assistants aided the interpretation of the results. The results from the study were surprisingly complex to interpret given the background of literature which suggested a strong relationship between multimodal representations and science learning (Lemke, 2000). There were significant positive correlations between student multimodal representations and quiz scores but not exam scores. This study was also confounded by significant differences between sections at the beginning of the study which may have led to learning effects later. The dissimilarity between the tasks of writing during their homework and working on exams may be the reason for no significant correlations with exams. The power to interpret these results was limited by the number of the participants, the number of modal experiences by the students, and the operationalization of multimodal knowledge through the holistic rubric. These results do show that a relationship does exist between the similar tasks within science writing and quizzes. Students may also gain derived science literacy benefits from modal experiences on distal tasks in exams as well. This study shows that there is still much more research to be known about the interconnectedness of multimodal representational knowledge and use to the development of science literacy.

  17. Gaseous VOCs rapidly modify particulate matter and its biological effects – Part 2: Complex urban VOCs and model PM

    Directory of Open Access Journals (Sweden)

    S. Ebersviller

    2012-03-01

    Full Text Available This is the second study in a three-part study designed to demonstrate dynamic entanglements among gaseous organic compounds (VOCs, particulate matter (PM, and their subsequent potential biological effects. We study these entanglements in increasingly complex VOC and PM mixtures in urban-like conditions in a large outdoor chamber, both in the dark and in sunlight. To the traditional chemical and physical characterizations of gas and PM, we added new measurements of gas-only- and PM-only-biological effects, using cultured human lung cells as model living receptors. These biological effects are assessed here as increases in cellular damage or expressed irritation (i.e., cellular toxic effects from cells exposed to chamber air relative to cells exposed to clean air. Our exposure systems permit side-by-side, gas-only- and PM-only-exposures from the same air stream containing both gases and PM in equilibria, i.e., there are no extractive operations prior to cell exposure for either gases or PM.

    In Part 1 (Ebersviller et al., 2012a, we demonstrated the existence of PM "effect modification" (NAS, 2004 for the case of a single gas-phase toxicant and an inherently non-toxic PM (mineral oil aerosol, MOA. That is, in the presence of the single gas-phase toxicant in the dark, the initially non-toxic PM became toxic to lung cells in the PM-only-biological exposure system. In this Part 2 study, we used sunlit-reactive systems to create a large variety of gas-phase toxicants from a complex mixture of oxides of nitrogen and 54 VOCs representative of those measured in US city air. In these mostly day-long experiments, we have designated the period in the dark just after injection (but before sunrise as the "Fresh" condition and the period in the dark after sunset as the "Aged" condition. These two conditions were used to expose cells and to collect chemical characterization samples. We used the same inherently non-toxic PM from the Part 1 study as the

  18. Gaseous VOCs rapidly modify particulate matter and its biological effects – Part 2: Complex urban VOCs and model PM

    Directory of Open Access Journals (Sweden)

    H. E. Jeffries

    2012-12-01

    Full Text Available This is the second study in a three-part study designed to demonstrate dynamic entanglements among gaseous organic compounds (VOCs, particulate matter (PM, and their subsequent potential biological effects. We study these entanglements in increasingly complex VOC and PM mixtures in urban-like conditions in a large outdoor chamber, both in the dark and in sunlight. To the traditional chemical and physical characterizations of gas and PM, we added new measurements of gas-only- and PM-only-biological effects, using cultured human lung cells as model living receptors. These biological effects are assessed here as increases in cellular damage or expressed irritation (i.e., cellular toxic effects from cells exposed to chamber air relative to cells exposed to clean air. Our exposure systems permit side-by-side, gas-only- and PM-only-exposures from the same air stream containing both gases and PM in equilibria, i.e., there are no extractive operations prior to cell exposure for either gases or PM. In Part 1 (Ebersviller et al., 2012a, we demonstrated the existence of PM "effect modification" (NAS, 2004 for the case of a single gas-phase toxicant and an inherently non-toxic PM (mineral oil aerosol, MOA. That is, in the presence of the single gas-phase toxicant in the dark, the initially non-toxic PM became toxic to lung cells in the PM-only-biological exposure system. In this Part 2 study, we used sunlit-reactive systems to create a large variety of gas-phase toxicants from a complex mixture of oxides of nitrogen and 54 VOCs representative of those measured in US city air. In these mostly day-long experiments, we have designated the period in the dark just after injection (but before sunrise as the "Fresh" condition and the period in the dark after sunset as the "Aged" condition. These two conditions were used to expose cells and to collect chemical characterization samples. We used the same inherently non-toxic PM from the Part 1 study as the target PM

  19. Gaseous VOCs rapidly modify particulate matter and its biological effects - Part 2: Complex urban VOCs and model PM

    Science.gov (United States)

    Ebersviller, S.; Lichtveld, K.; Sexton, K. G.; Zavala, J.; Lin, Y.-H.; Jaspers, I.; Jeffries, H. E.

    2012-12-01

    This is the second study in a three-part study designed to demonstrate dynamic entanglements among gaseous organic compounds (VOCs), particulate matter (PM), and their subsequent potential biological effects. We study these entanglements in increasingly complex VOC and PM mixtures in urban-like conditions in a large outdoor chamber, both in the dark and in sunlight. To the traditional chemical and physical characterizations of gas and PM, we added new measurements of gas-only- and PM-only-biological effects, using cultured human lung cells as model living receptors. These biological effects are assessed here as increases in cellular damage or expressed irritation (i.e., cellular toxic effects) from cells exposed to chamber air relative to cells exposed to clean air. Our exposure systems permit side-by-side, gas-only- and PM-only-exposures from the same air stream containing both gases and PM in equilibria, i.e., there are no extractive operations prior to cell exposure for either gases or PM. In Part 1 (Ebersviller et al., 2012a), we demonstrated the existence of PM "effect modification" (NAS, 2004) for the case of a single gas-phase toxicant and an inherently non-toxic PM (mineral oil aerosol, MOA). That is, in the presence of the single gas-phase toxicant in the dark, the initially non-toxic PM became toxic to lung cells in the PM-only-biological exposure system. In this Part 2 study, we used sunlit-reactive systems to create a large variety of gas-phase toxicants from a complex mixture of oxides of nitrogen and 54 VOCs representative of those measured in US city air. In these mostly day-long experiments, we have designated the period in the dark just after injection (but before sunrise) as the "Fresh" condition and the period in the dark after sunset as the "Aged" condition. These two conditions were used to expose cells and to collect chemical characterization samples. We used the same inherently non-toxic PM from the Part 1 study as the target PM for "effect

  20. The bottom-up approach to defining life : deciphering the functional organization of biological cells via multi-objective representation of biological complexity from molecules to cells

    Directory of Open Access Journals (Sweden)

    Sathish ePeriyasamy

    2013-12-01

    Full Text Available In silico representation of cellular systems needs to represent the adaptive dynamics of biological cells, recognizing a cell’s multi-objective topology formed by spatially and temporally cohesive intracellular structures. The design of these models needs to address the hierarchical and concurrent nature of cellular functions and incorporate the ability to self-organise in response to transitions between healthy and pathological phases, and adapt accordingly. The functions of biological systems are constantly evolving, due to the ever changing demands of their environment. Biological systems meet these demands by pursuing objectives, aided by their constituents, giving rise to biological functions. A biological cell is organised into an objective/task hierarchy. These objective hierarchy corresponds to the nested nature of temporally cohesive structures and representing them will facilitate in studying pleiotropy and polygeny by modeling causalities propagating across multiple interconnected intracellular processes. Although biological adaptations occur in physiological, developmental and reproductive timescales, the paper is focused on adaptations that occur within physiological timescales, where the biomolecular activities contributing to functional organisation, play a key role in cellular physiology. The paper proposes a multi-scale and multi-objective modelling approach from the bottom-up by representing temporally cohesive structures for multi-tasking of intracellular processes. Further the paper characterises the properties and constraints that are consequential to the organisational and adaptive dynamics in biological cells.

  1. Cupric Oxide (CuO) Oxidation Detects Pyrogenic Carbon in Burnt Organic Matter and Soils.

    Science.gov (United States)

    Hatten, Jeff; Goñi, Miguel

    2016-01-01

    Wildfire greatly impacts the composition and quantity of organic carbon stocks within watersheds. Most methods used to measure the contributions of fire altered organic carbon-i.e. pyrogenic organic carbon (Py-OC) in natural samples are designed to quantify specific fractions such as black carbon or polyaromatic hydrocarbons. In contrast, the CuO oxidation procedure yields a variety of products derived from a variety of precursors, including both unaltered and thermally altered sources. Here, we test whether or not the benzene carboxylic acid and hydroxy benzoic acid (BCA) products obtained by CuO oxidation provide a robust indicator of Py-OC and compare them to non-Py-OC biomarkers of lignin. O and A horizons from microcosms were burned in the laboratory at varying levels of fire severity and subsequently incubated for 6 months. All soils were analyzed for total OC and N and were analyzed by CuO oxidation. All BCAs appeared to be preserved or created to some degree during burning while lignin phenols appeared to be altered or destroyed to varying extents dependent on fire severity. We found two specific CuO oxidation products, o-hydroxybenzoic acid (oBd) and 1,2,4-benzenetricarboxylic acid (BTC2) that responded strongly to burn severity and withstood degradation during post-burning microbial incubations. Interestingly, we found that benzene di- and tricarboxylic acids (BDC and BTC, respectively) were much more reactive than vanillyl phenols during the incubation as a possible result of physical protection of vanillyl phenols in the interior of char particles or CuO oxidation derived BCAs originating from biologically available classes of Py-OC. We found that the ability of these compounds to predict relative Py-OC content in burned samples improved when normalized by their respective BCA class (i.e. benzene monocarboxylic acids (BA) and BTC, respectively) and when BTC was normalized to total lignin yields (BTC:Lig). The major trends in BCAs imparted by burning

  2. Development of a new catalase activity assay for biological samples using optical CUPRAC sensor

    Science.gov (United States)

    Bekdeşer, Burcu; Özyürek, Mustafa; Güçlü, Kubilay; Alkan, Fulya Üstün; Apak, Reşat

    2014-11-01

    A novel catalase activity assay was developed for biological samples (liver and kidney tissue homogenates) using a rapid and low-cost optical sensor-based ‘cupric reducing antioxidant capacity' (CUPRAC) method. The reagent, copper(II)-neocuproine (Cu(II)-Nc) complex, was immobilized onto a cation-exchanger film of Nafion, and the absorbance changes associated with the formation of the highly-colored Cu(I)-Nc chelate as a result of reaction with hydrogen peroxide (H2O2) was measured at 450 nm. When catalase was absent, H2O2 produced the CUPRAC chromophore, whereas catalase, being an effective H2O2 scavenger, completely annihilated the CUPRAC signal due to H2O2. Thus, the CUPRAC absorbance due to H2O2 oxidation concomitant with Cu(I)-Nc formation decreased proportionally with catalase. The developed sensor gave a linear response over a wide concentration range of H2O2 (0.68-78.6 μM). This optical sensor-based method applicable to tissue homogenates proved to be efficient for low hydrogen peroxide concentrations (physiological and nontoxic levels) to which the widely used UV method is not accurately responsive. Thus, conventional problems of the UV method arising from relatively low sensitivity and selectivity, and absorbance disturbance due to gaseous oxygen evolution were overcome. The catalase findings of the proposed method for tissue homogenates were statistically alike with those of HPLC.

  3. Biological Role of Anions (Sulfate, Nitrate , Oxalate and Acetate) on the Antibacterial Properties of Cobalt (II) and Nickel(II) Complexes With Pyrazinedicarboxaimide Derived, Furanyl and Thienyl Compounds

    OpenAIRE

    Chohan, Zahid H.; Praveen, M.

    1999-01-01

    A number of biologically active complexes of cobalt(II) and nickel(II) with pyrazinedicarboxaimido derived thienyl and furanyl compounds having the same metal ion but different anions such as sulphate, nitrate, oxalate and acetate have been synthesized and characterized on the basis of their physical, spectral and analytical data. In order to evaluate the role of anions on their antibacterial properties, these ligands and their synthesized metal complexes with various anions have been screene...

  4. Rapid Isolation and Determination of Flavones in Biological Samples Using Zinc Complexation Coupled with High-Performance Liquid Chromatography

    Directory of Open Access Journals (Sweden)

    Chenghe Sun

    2016-08-01

    Full Text Available Chlorophyll-type contaminants are commonly encountered in the isolation and determination of flavones of plant aerial plant parts. Heme is also a difficult background substance in whole blood analysis. Both chlorophyll and heme are porphyrin type compounds. In this study, a rapid method for isolating flavones with 5-hydroxyl or ortho-hydroxyl groups from biological samples was developed based on the different solubilities of porphyrin-metal and flavone-metal complexes. It is important that other background substances, e.g., proteins and lipids, are also removed from flavones without an additional processing. The recoveries of scutellarin, baicalin, baicalein, wogonoside and wogonin, which are the primary constituents of Scutellaria baicalensis (skullcaps were 99.65% ± 1.02%, 98.98% ± 0.73%, 99.65% ± 0.03%, 97.59% ± 0.09% and 95.19% ± 0.47%, respectively. As a sample pretreatment procedure, this method was coupled to high-performance liquid chromatography (HPLC with good separation, sensitivity and linearity and was applied to determine the flavone content in different aerial parts of S. baicalensis and in dried blood spot samples.

  5. Reconstruction of complex passageways for simulations of transport phenomena: development of a graphical user interface for biological applications.

    Science.gov (United States)

    Godo, M N; Morgan, K T; Richardson, R B; Kimbell, J S

    1995-07-01

    Flow of fluids, such as blood, lymph and air, plays a major role in the normal physiology of all living organisms. Within individual organ systems, flow fields may significantly influence the transport of solutes, including nutrients and chemical toxicants, to and from the confining vessel walls (epithelia and endothelia). Computational fluid dynamics (CFD) provides a potentially useful tool for biologists and toxicologists investigating solute disposition in these flow fields in both normal and disease states. Application of CFD is dependent upon generation of accurate representations of the geometry of the system of interest in the form of a computational reconstruction. The present investigations, which were based on studies of the toxicology of inhaled reactive gases in the respiratory tract of rodents, provide computer programs for the generation of finite element meshes from serial tissue cross-sections. These programs, which interface with a commercial finite element fluid dynamics simulation package (FIDAP 7.05, Fluid Dynamics International, Evanston, IL), permit simulation of fluid flow in the complex geometries and local solute mass flux to the vessel walls of biological systems. The use of these programs and their application to studies of respiratory tract toxicology are described.

  6. Tubers from patients with tuberous sclerosis complex are characterized by changes in microtubule biology through ROCK2 signalling.

    Science.gov (United States)

    Ferrer, Isidre; Mohan, Pooja; Chen, Helen; Castellsague, Joan; Gómez-Baldó, Laia; Carmona, Marga; García, Nadia; Aguilar, Helena; Jiang, Jihong; Skowron, Margaretha; Nellist, Mark; Ampuero, Israel; Russi, Antonio; Lázaro, Conxi; Maxwell, Christopher A; Pujana, Miguel Angel

    2014-07-01

    Most patients with tuberous sclerosis complex (TSC) develop cortical tubers that cause severe neurological disabilities. It has been suggested that defects in neuronal differentiation and/or migration underlie the appearance of tubers. However, the precise molecular alterations remain largely unknown. Here, by combining cytological and immunohistochemical analyses of tubers from nine TSC patients (four of them diagnosed with TSC2 germline mutations), we show that alteration of microtubule biology through ROCK2 signalling contributes to TSC neuropathology. All tubers showed a larger number of binucleated neurons than expected relative to control cortex. An excess of normal and altered cytokinetic figures was also commonly observed. Analysis of centrosomal markers suggested increased microtubule nucleation capacity, which was supported by the analysis of an expression dataset from cortical tubers and control cortex, and subsequently linked to under-expression of Rho-associated coiled-coil containing kinase 2 (ROCK2). Thus, augmented microtubule nucleation capacity was observed in mouse embryonic fibroblasts and human fibroblasts deficient in the Tsc2/TSC2 gene product, tuberin. Consistent with ROCK2 under-expression, microtubule acetylation was found to be increased with tuberin deficiency; this alteration was abrogated by rapamycin treatment and mimicked by HDAC6 inhibition. Together, the results of this study support the hypothesis that loss of TSC2 expression can alter microtubule organization and dynamics, which, in turn, deregulate cell division and potentially impair neuronal differentiation.

  7. Field-Free Atmospheric Pressure Photoionization - Liquid Chromatography - Mass Spectrometry for the Analysis of Steroids within Complex Biological Matrices.

    Science.gov (United States)

    McCulloch, Ross David; Robb, Damon B

    2017-03-06

    A comparison study is presented in which the relative performance of a new orthogonal geometry field-free atmospheric pressure photoionization (FF-APPI) source was evaluated against both electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) for the analysis of a small panel of clinically relevant steroids, spiked within various complex biological matrices. Critical performance factors like sensitivity and susceptibility to matrix effects were assessed using a simple, isocratic, high throughput LC-MS workflow. FF-APPI was found to provide the best performance in terms of both sensitivity and detection limit for all of the steroids included in the survey. Order-of-magnitude sensitivity advantages were realized for some low polarity analytes including both estradiol and estrone. A robust linear regression, post extraction addition method was used to evaluate the relative impact of matrix effects upon each ionization method using protein precipitated human serum, plasma and Surine (simulated urine) as standard clinical matrices. Under conditions optimized for sensitivity, both the field-free APPI and APCI sources were found to provide similarly high resistance to matrix suppression effects, while ESI performance was impacted the most dramatically. For the prototype FF-APPI source, a strong relationship was established between optimizable source parameters and the degree of ion suppression observed. Through careful optimization of vaporization temperature and nebulizer gas flow rates it was possible to significantly reduce or even eliminate the impact of matrix effects, even for high throughput LC-MS methods.

  8. Peroxidase-like activity of water-soluble cupric oxide nanoparticles and its analytical application for detection of hydrogen peroxide and glucose.

    Science.gov (United States)

    Chen, Wei; Chen, Juan; Feng, Ye-Bin; Hong, Lei; Chen, Qi-Ying; Wu, Ling-Feng; Lin, Xin-Hua; Xia, Xing-Hua

    2012-04-07

    Water-soluble cupric oxide nanoparticles are fabricated via a quick-precipitation method and used as peroxidase mimetics for ultrasensitive detection of hydrogen peroxide and glucose. The water-soluble CuO nanoparticles show much higher catalytic activity than that of commercial CuO nanoparticles due to their higher affinity to hydrogen peroxide. In addition, the as-prepared CuO nanoparticles are stable over a wide range of pH and temperature. This excellent stability in the form of aqueous colloidal suspensions makes the application of the water-soluble CuO nanoparticles easier in aqueous systems. A colorimetric assay for hydrogen peroxide and glucose has been established based on the catalytic oxidation of phenol coupled with 4-amino-atipyrine by the action of hydrogen peroxide. This analytical platform not only confirms the intrinsic peroxidase-like activity of the water-soluble cupric oxide nanoparticles, but also shows its great potential applications in environmental chemistry, biotechnology and medicine.

  9. Effect of Deposition Time on the Photoelectrochemical Properties of Cupric Oxide Thin Films Synthesized via Electrodeposition Method

    Directory of Open Access Journals (Sweden)

    Yaw Chong Siang

    2016-01-01

    Full Text Available The main aim of this study was to investigate the effect of deposition time on the physicochemical and photoelectrochemical properties of cupric oxide (CuO thin films synthesized via electrodeposition method. Firstly, the electrodeposition of amorphous CuO films on fluorine-doped tin oxide (FTO working electrodes with varying deposition time between 5 and 30 min was carried out, followed by annealing treatment at 500 °C. Resultant nanocrystalline CuO thin films were characterised using field emission-scanning electron microscopy (FE-SEM, photocurrent density, and photoluminescence measurements. Through FE-SEM analysis, it was observed that the surface of thin films was composed of irregular-sized CuO nanocrystals. A smaller CuO nanocrystals size will lead to a higher photoactivity due to the increase in overall catalytic surface area. In addition, the smaller CuO nanocrystals size will prolongs the electron-hole recombination rate due to the increase in copious amount of surface defects. From this study, it was revealed that the relationship between deposition time and CuO film thickness was non-linear. This could be due to the detachment of CuO thin films from the FTO surface at an increasing amount of CuO mass being deposited. It was observed that the amount of light absorbed by CuO thin films increased with film thickness until a certain extent whereby, any further increase in the film thickness will result in a reduction of light photon penetration. Therefore, the CuO nanocrystals size and film thickness have to be compromised in order to yield a higher catalytic surface area and a lower rate of surface charge recombination. Finally, it was found that the deposition time of 15 min resulted in an average CuO nanocrystals size of 73.7 nm, optimum film thickness of 0.73 μm, and corresponding photocurrent density of 0.23 mA/cm2 at the potential bias of - 0.3 V (versus Ag/AgCl. The PL spectra for the deposition time of 15 min has the lowest

  10. Biological soil crusts: a microenvironment characterized by complex microbial interrelations affected by the presence of the exopolysaccharidic matrix.

    Science.gov (United States)

    De Philippis, Roberto

    2015-04-01

    Biological Soil Crusts (BSCs) are complex microbial communities, commonly found in arid and semiarid areas of the world. The capability of the microorganisms residing in BSCs to withstand the harsh environmental conditions typical of these habitats, namely drought and high solar irradiation, is related with the presence of a matrix constituted by microbial-produced extracellular polysaccharides (EPSs), which also accomplish for a wide array of key ecological roles. EPSs represent a huge carbon source directly available to heterotrophic organisms, affect soil characteristics, water regimes, and establish complex interactions with plants. The induction of BSCs on degraded soils is considered a feasible approach to amend and maintain land fertility, as it was reported in a number of recent studies. It was recently shown that BSC induction is beneficial in enhancing SOC (Soil Organic Carbon) and in increasing the abundance of phototrophic organisms and vegetation cover. This lecture will describe the results of a study showing that cyanobacterial-EPS resulted advantageous to the growth and metabolism of seedlings of Caragana korshinskii, a desert sub-shrub widely diffused in the area under study, also contributing a defensive effect against the damaging effects of reactive oxygen species (ROS), generated under UV-irradiation, salt stress and desiccation. A study aimed at investigating the possible correlation between the chemical composition and the macromolecular features of the EPS matrix of induced BSCs of different age, collected in the hyper-arid plateau of Hobq desert, Inner Mongolia, China, will be also presented. The results of this study showed that the characteristics of the EPS of the matrix of the investigated IBSCs cannot be put only in relation with the age of the crusts and the activity of phototrophic microorganisms but, more properly, it has to be taken into account the biotic interactions ongoing between EPS producers (cyanobacteria, green microalgae

  11. Improving fundamental abilities of atomic force microscopy for investigating quantitative nanoscale physical properties of complex biological systems

    Science.gov (United States)

    Cartagena-Rivera, Alexander X.

    Measurements of local material properties of complex biological systems (e.g. live cells and viruses) in their respective physiological conditions are extremely important in the fields of biophysics, nanotechnology, material science, and nanomedicine. Yet, little is known about the structure-function-property relationship of live cells and viruses. In the case of live cells, the measurements of progressive variations in viscoelastic properties in vitro can provide insight to the mechanistic processes underpinning morphogenesis, mechano-transduction, motility, metastasis, and many more fundamental cellular processes. In the case of living viruses, the relationship between capsid structural framework and the role of the DNA molecule interaction within viruses influencing their stiffness, damping and electrostatic properties can shed light in virological processes like protein subunits assembly/dissassembly, maturation, and infection. The study of mechanics of live cells and viruses has been limited in part due to the lack of technology capable of acquiring high-resolution (nanoscale, subcellular) images of its heterogeneous material properties which vary widely depending on origin and physical interaction. The capabilities of the atomic force microscope (AFM) for measuring forces and topography with sub-nm precision have greatly contributed to research related to biophysics and biomechanics during the past two decades. AFM based biomechanical studies have the unique advantage of resolving/mapping spatially the local material properties over living cells and viruses. However, conventional AFM techniques such as force-volume and quasi-static force-distance curves are too low resolution and low speed to resolve interesting biophysical processes such as cytoskeletal dynamics for cells or assembly/dissasembly of viruses. To overcome this bottleneck, a novel atomic force microscopy mode is developed, that leads to sub-10-nm resolution and sub-15-minutes mapping of local

  12. Structural, luminescence and biological studies of trivalent lanthanide complexes with N,N Prime -bis(2-hydroxynaphthylmethylidene)-1,3-propanediamine Schiff base ligand

    Energy Technology Data Exchange (ETDEWEB)

    Taha, Ziyad A., E-mail: tahaz33@just.edu.jo [Department of Applied Chemistry, Faculty of Arts and Sciences, Jordan University of Science and Technology, P.O. Box 3030, Irbid 22110 (Jordan); Ajlouni, Abdulaziz M. [Department of Applied Chemistry, Faculty of Arts and Sciences, Jordan University of Science and Technology, P.O. Box 3030, Irbid 22110 (Jordan); Al Momani, Waleed [Department of Allied Medical Sciences, Al Balqa Applied University (Jordan)

    2012-11-15

    New eight lanthanide metal complexes were prepared. These complexes were characterized by elemental analysis, molar conductivity measurements, spectral analysis ({sup 1}H NMR, FT-IR, UV-vis), luminescence and thermal gravimetric analysis. All Ln(III) complexes were 1:1 electrolytes as established by their molar conductivities. The microanalysis and spectroscopic analysis revealed eight-coordinated environments around lanthanide ions with two nitrate ligands behaving in a bidentate manner. The other four positions were found to be occupied with tetradentate L{sub III} ligand. Tb-L{sub III} and Sm-L{sub III} complexes exhibited characteristic luminescence emissions of the central metal ions and this was attributed to efficient energy transfer from the ligand to the metal center. The L{sub III} and Ln-L{sub III} complexes showed antibacterial activity against a number of pathogenic bacteria. - Highlights: Black-Right-Pointing-Pointer Ln(III) ion adopts an eight-coordinate geometry. Black-Right-Pointing-Pointer Luminescence spectra of Sm-L{sub III} and Tb-L{sub III} complexes display the metal centered line emission. Black-Right-Pointing-Pointer Energy transfer process from L{sub III} to Sm in Sm-L{sub III} complex is more efficient than to Tb in Tb-L{sub III} complex. Black-Right-Pointing-Pointer Ln(III) complexes may serve as models for biologically important species.

  13. Efficient biological conversion of carbon monoxide (CO) to carbon dioxide (CO2) and for utilization in bioplastic production by Ralstonia eutropha through the display of an enzyme complex on the cell surface.

    Science.gov (United States)

    Hyeon, Jeong Eun; Kim, Seung Wook; Park, Chulhwan; Han, Sung Ok

    2015-06-25

    An enzyme complex for biological conversion of CO to CO2 was anchored on the cell surface of the CO2-utilizing Ralstonia eutropha and successfully resulted in a 3.3-fold increase in conversion efficiency. These results suggest that this complexed system may be a promising strategy for CO2 utilization as a biological tool for the production of bioplastics.

  14. Synthesis, spectroscopic, photoluminescence properties and biological evaluation of novel Zn(II) and Al(III) complexes of NOON tetradentate Schiff bases.

    Science.gov (United States)

    Abdel Aziz, Ayman A; Badr, Ibrahim H A; El-Sayed, Ibrahim S A

    2012-11-01

    Novel mononuclear Zn(II) and Al(III) complexes were synthesized from the reactions of Zn(OAc)(2).2H(2)O and anhydrous AlCl(3) with neutral N2O2 donor tetradentate Schiff bases; N,N'bis(salicylaldehyde)4,5-dimethyl-1,2-phenylenediamine (H(2)L(1)) and N,N'bis(salicylaldehyde)4,5-dichloro-1,2-phenylenediamine (H(2)L(2)). The new complexes were fully characterized by using micro analyses (CHN), FT-IR, (1)H NMR, UV-Vis spectra and thermal analysis. The analytical data have been showed that, the stoichiometry of the complexes is 1:1. Spectroscopic data suggested tetrahedral and square pyramidal geometries for Zn(II) and Al(III) complexes, respectively. The synthesized Zn(II), and Al(III) complexes exhibited intense fluorescence emission in the visible region upon UV-excitation in methylene chloride solution at ambient temperature. This high fluorescence emission was assigned to the strong coordination of the ligands to the small and the highly charged Zn(II) and Al(III) ions. Such strong coordination seems to extend the π-conjugation of the complexes. Thermal analysis measurements indicated that the complexes have good thermal stability. As a potential application the biological activity (e.g., antimicrobial action) of the prepared ligands and complexes was assessed by in-vitro testing of their effect on the growth of various strains of bacteria and fungi.

  15. Synthesis, spectroscopic, photoluminescence properties and biological evaluation of novel Zn(II) and Al(III) complexes of NOON tetradentate Schiff bases

    Science.gov (United States)

    Abdel Aziz, Ayman A.; Badr, Ibrahim H. A.; El-Sayed, Ibrahim S. A.

    2012-11-01

    Novel mononuclear Zn(II) and Al(III) complexes were synthesized from the reactions of Zn(OAc)2·2H2O and anhydrous AlCl3 with neutral N2O2 donor tetradentate Schiff bases; N,N'bis(salicylaldehyde)4,5-dimethyl-1,2-phenylenediamine (H2L1) and N,N'bis(salicylaldehyde)4,5-dichloro-1,2-phenylenediamine (H2L2). The new complexes were fully characterized by using micro analyses (CHN), FT-IR, 1H NMR, UV-Vis spectra and thermal analysis. The analytical data have been showed that, the stoichiometry of the complexes is 1:1. Spectroscopic data suggested tetrahedral and square pyramidal geometries for Zn(II) and Al(III) complexes, respectively. The synthesized Zn(II), and Al(III) complexes exhibited intense fluorescence emission in the visible region upon UV-excitation in methylene chloride solution at ambient temperature. This high fluorescence emission was assigned to the strong coordination of the ligands to the small and the highly charged Zn(II) and Al(III) ions. Such strong coordination seems to extend the π-conjugation of the complexes. Thermal analysis measurements indicated that the complexes have good thermal stability. As a potential application the biological activity (e.g., antimicrobial action) of the prepared ligands and complexes was assessed by in-vitro testing of their effect on the growth of various strains of bacteria and fungi.

  16. Synthesis Characterization and Biological Activity Study of New Schiff and Mannich Bases and Some Metal Complexes Derived from Isatin and Dithiooxamide

    Directory of Open Access Journals (Sweden)

    Ahlam J. Abdulghani

    2011-01-01

    Full Text Available Two new Schiff and Mannich bases, namely, 1-Morpholinomethyl-3(1′ -N-dithiooxamideiminoisatin (LIH and 1-diphenylaminomethyl-3-1′-N-dithiooxamideiminoisatin (LIIH, were prepared from condensation reaction of new Schiff base 3-(1′-N-dithiooxamideiminoisatin (SBH with morpholine or diphenylamine respectively in presence of formaldehyde . The structures were characterized by IR, 1HNMR, mass spectrometry, and CHN analyses. Metal complexes of the two ligands were synthesized, and their structures were characterized by elemental analyses, atomic absorption, IR and UV-visible spectra, molar conductivity, and magnetic moment determination. All complexes showed octahedral geometries except palladium complexes which were square planar. The biological activity of the prepared compounds and some selected metal complexes was tested against three types of bacteria and against cell line of human epidermoid larynx carcinoma (Hep-2.

  17. Radiosynthesis and biological evaluation of the {sup 99m}Tc-tricarbonyl moxifloxacin dithiocarbamate complex as a potential Staphylococcus aureus infection radiotracer

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Syed Qaiser, E-mail: ssqaiser2002@yahoo.co [Nuclear Medicine Research Laboratory (NMRL), University of Peshawar, Peshawar, KPK (Pakistan); Khan, Muhammad Rafiullah [Phytopharmaceutical and Neutraceuticals Research Laboratory (PNRL), University of Peshawar, Peshawar, KPK (Pakistan)

    2011-04-15

    In the present investigation, radiosynthesis of the {sup 99m}Tc-tricarbonyl moxifloxacin dithiocarbamate complex ({sup 99m}Tc(CO){sub 3}-MXND) and its biological evaluation in male Wister rats (MWR) artificially infected with Staphylococcus aureus (S. aureus) was assessed. The {sup 99m}Tc(CO){sub 3}-MXND complex was radiochemically examined in terms of stability in saline and in serum and biologically its in-vitro binding with S. aureus and percent absorption in MWR models. Radiochemically the {sup 99m}Tc(CO){sub 3}-MXND complex showed more than 90% stability in saline up to 240 min and in serum 14.95% undesirable species was appeared within 16 h. In-vitro the {sup 99m}Tc(CO){sub 3}-MXND complex showed saturated binding with S. aureus. In MWR artificially infected with live S. aureus the complex showed about six fold higher uptakes in the infected muscle as compared to the normal muscle. However, insignificant change in the uptake of {sup 99m}Tc(CO){sub 3}-MXND complex in the infected and inflamed or normal muscle was observed in the MWR infected with heat killed S. aureus. The {sup 99m}Tc(CO){sub 3}-MXND complex disappeared from the circulatory system and appeared in the urinary system within 60-90 min followed by excretion through normal route of urinary system. Based on the elevated and stable radiochemical succumb in saline, serum, saturated in-vitro binding with S. aureus and higher accumulation in the target organ of the MWR, we recommend the {sup 99m}Tc(CO){sub 3}-MXND complex for radio-localization of the infection induced by S. aureus in human.

  18. Spectroscopic investigation on kinetics, thermodynamics and mechanism for electron transfer reaction of iron(III) complex with sulphur centered radical in stimulated biological system.

    Science.gov (United States)

    Deepalakshmi, S; Sivalingam, A; Kannadasan, T; Subramaniam, P; Sivakumar, P; Brahadeesh, S T

    2014-04-24

    Electron transfer reactions of biological organic sulphides with several metal ions to generate sulphide radical cations are a great concern in biochemical process. To understand the mechanism, a stimulated biological system having model compounds, iron(III)-bipyridyl complex with thio-diglycolic acid (TDGA) was investigated. Spectroscopic study reveals the kinetics and thermodynamics of the reaction in aqueous perchloric acid medium. The reaction follows first and fractional order of 0.412 with respect to [Fe(bpy)3](3+) and TDGA, respectively. The oxidation is insensitive to variation in [H(+)] but slightly decreases with increase in ionic strength ([I]). Addition of acrylamide, a radical scavenger has no effect on the rate of the reaction. The high negative value of ΔS(#) (-74.3±1.09 J K(-1) mol(-1)) indicates the complex formed has a definite orientation higher than the reactants. Based on the above results, a suitable reaction mechanism for this reaction is proposed.

  19. Emergency Treatment and Nursing for Batches of Patients with Cupric Chloride Toxicosis%氯化铜中毒患者的急救护理

    Institute of Scientific and Technical Information of China (English)

    王艳梅; 王科

    2011-01-01

    Objective To probe the emergency treatment and nursing for batches of patients with cupric chloride toxicosis. Methods The poisoning patients underwent a series of treating procedures concerning transferring patients promptly,cleaning skin,blocking the absorption of poison,take special antidote such as sodium dimercaptopropane sulphonate scientificly and reasonablely,as well as observing the changes of athogenetic condition closely, preventing complications and giving psychological counseling. Results Nine patients with cupric chloride toxicosis were discharged after recovery. Conclusion The using of antidote of sodium dimercaptopropane sulphonate in time with meticulous nursing plays the key role in improving the success ratio of the rescue.%目的 探讨急性氯化铜中毒患者的抢救与护理方法.方法 及时将患者脱离中毒现场、清洗皮肤、阻断毒物吸收,科学、合理地使用特效解毒剂二巯基丙磺酸钠注射液,密切观察病情变化并精心护理,预防并发症以及给予心理疏导.结果 9例急性氯化铜中毒全部痊愈出院.结论 及时使用特效解毒剂二巯基丙磺酸钠注射液,辅以全身心的护理,是提高氯化铜中毒患者抢救成功率的关键.

  20. Octamer-binding protein 4 affects the cell biology and phenotypic transition of lung cancer cells involving β-catenin/E-cadherin complex degradation.

    Science.gov (United States)

    Chen, Zhong-Shu; Ling, Dong-Jin; Zhang, Yang-De; Feng, Jian-Xiong; Zhang, Xue-Yu; Shi, Tian-Sheng

    2015-03-01

    Clinical studies have reported evidence for the involvement of octamer‑binding protein 4 (Oct4) in the tumorigenicity and progression of lung cancer; however, the role of Oct4 in lung cancer cell biology in vitro and its mechanism of action remain to be elucidated. Mortality among lung cancer patients is more frequently due to metastasis rather than their primary tumors. Epithelial‑mesenchymal transition (EMT) is a prominent biological event for the induction of epithelial cancer metastasis. The aim of the present study was to investigate whether Oct4 had the capacity to induce lung cancer cell metastasis via the promoting the EMT in vitro. Moreover, the effect of Oct4 on the β‑catenin/E‑cadherin complex, associated with EMT, was examined using immunofluorescence and immunoprecipitation assays as well as western blot analysis. The results demonstrated that Oct4 enhanced cell invasion and adhesion accompanied by the downregulation of epithelial marker cytokeratin, and upregulation of the mesenchymal markers vimentin and N‑cadherin. Furthermore, Oct4 induced EMT of lung cancer cells by promoting β‑catenin/E‑cadherin complex degradation and regulating nuclear localization of β‑catenin. In conclusion, the present study indicated that Oct4 affected the cell biology of lung cancer cells in vitro through promoting lung cancer cell metastasis via EMT; in addition, the results suggested that the association and degradation of the β‑catenin/E‑cadherin complex was regulated by Oct4 during the process of EMT.

  1. Synthesis, spectral characterisation, morphology, biological activity and DNA cleavage studies of metal complexes with chromone Schiff base

    Directory of Open Access Journals (Sweden)

    P. Kavitha

    2016-07-01

    Full Text Available Cu(II, Co(II, Ni(II and Zn(II complexes have been synthesized using 3-((pyridine-2-yliminomethyl-4H-chromen-4-one as a ligand derived from 3-formyl chromone and 2-amino pyridine. All the complexes were characterised by analytical, conductivity, IR, electronic, magnetic, ESR, thermal, powder XRD and SEM studies. The analytical data revealed that the metal to ligand molar ratio is 1:2 in all the complexes. Molar conductivity data indicates that all the complexes are neutral in nature. On the basis of magnetic and electronic spectral data, octahedral geometry is proposed for all the complexes. Thermal behaviour of the synthesized complexes indicates the coordinated and lattice water molecules are present in the complexes. The X-ray diffraction data suggest a triclinic system for all compounds. Different surface morphologies were identified from SEM micrographs. All metal complexes exhibit fluorescence. The antimicrobial and nematicidal activity data show that metal complexes are more potent than the parent ligand. The DNA cleavage activity of the ligand and its metal complexes were observed in the presence of H2O2.

  2. Potentiometric studies on ternary complexes involving some divalent transition metal ions, gallic acid and biologically abundant aliphatic dicarboxylic acids in aqueous solutions

    Directory of Open Access Journals (Sweden)

    Abdelatty Mohamed Radalla

    2015-06-01

    Full Text Available Formation of binary and ternary complexes of the divalent transition metal ions, Cu2+, Ni2+, Co2+ and Zn2+ with gallic acid and the biologically important aliphatic dicarboxylic acids (adipic, succinic, malic, malonic, maleic, tartaric and oxalic acids were investigated by means of the potentiometric technique at 25 °C and I = 0.10 mol dm−3 NaNO3. The acid-base properties of the ligands were investigated and discussed. The acidity constants of gallic acid and aliphatic dicarboxylic acids were determined and used for determining the stability constants of the binary and ternary complexes formed in the aqueous medium under the above experimental conditions. The formation of the different 1:1 and 1:2 binary complexes and 1:1:1 ternary complexes are inferred from the corresponding potentiometric pH-metric titration curves. The ternary complex formation was found to occur in a stepwise manner. The stability constants of these binary and ternary systems were calculated. The values of Δ log K, percentage of relative stabilization (%R.S. and log X were evaluated and discussed. The concentration distribution of the various complex species formed in solution was evaluated and discussed. The mode of chelation of ternary complexes formed was ascertained by conductivity measurements.

  3. DNA binding and biological studies of some novel water-soluble polymer-copper(II)-phenanthroline complexes.

    Science.gov (United States)

    Kumar, Rajendran Senthil; Arunachalam, Sankaralingam; Periasamy, Vaiyapuri Subbarayan; Preethy, Christo Paul; Riyasdeen, Anvarbatcha; Akbarsha, Mohammad Abdulkader

    2008-10-01

    Some novel water-soluble polymer-copper(II)-phenanthroline complex samples, [Cu(phen)2(BPEI)]Cl(2).4H2O (phen=1,10-phenanthroline, BPEI=branched polyethyleneimine), with different degrees of copper complex content in the polymer chain have been prepared by ligand substitution method in water-ethanol medium and characterized by infrared, UV-visible, EPR spectral and elemental analysis methods. The binding of these complex samples with DNA has been investigated by electronic absorption spectroscopy, emission spectroscopy and gel retardation assay. Electrostatic interactions between DNA molecule and polymer-copper(II) complex molecule containing many high positive charges have been observed. Besides these ionic interactions, van der Waals interactions, hydrogen bonding and other partial intercalation binding modes may also exist in this system. The polymer-copper(II) complex with higher degree of copper complex content was screened for its antimicrobial activity and antitumor activity.

  4. Influence of Primary Ligands (ODA, TDA) on Physicochemical and Biological Properties of Oxidovanadium (IV) Complexes with Bipy and Phen as Auxiliary Ligands.

    Science.gov (United States)

    Pranczk, Joanna; Tesmar, Aleksandra; Wyrzykowski, Dariusz; Inkielewicz-Stępniak, Iwona; Jacewicz, Dagmara; Chmurzyński, Lech

    2016-11-01

    The influence of the oxydiacetate (ODA) and thiodiacetate (TDA) ligands on the physicochemical and biological properties of the oxidovanadium(IV) ternary complexes of the VO(L)(B) type, where L denotes ODA or TDA and B denotes 2,2'-bipyridine (bipy) or 1,10-phenanthroline (phen), has been investigated. The stability of the complexes in aqueous solutions, assessed based on the potentiometric titration method, increases in the following direction: VO(TDA)(bipy) TDA)(phen) TDA and ODA ligands on the antioxidant activity of the oxidovanadium(IV) complexes toward superoxide free radical (O2(•-)), 2,2'-azinobis(3-ethylbenzothiazoline-6 sulfonic acid) cation radical (ABTS(+•)) and 2,2-diphenyl-1-picrylhydrazyl radical (DPPH(•)) has been examined and discussed. The reactivity of the complexes toward O2(•-) increases in the following direction: VO(TDA)(phen) TDA)(bipy) ≈ VO(ODA)(bipy) < VO(ODA)(phen). The antioxidant activity against ABTS(+•) and DPPH(•) free radicals is higher for phen complexes, whereas the thiodiacetate complexes are more reactive than are the corresponding oxydiacetate ones. Finally, herein, the cytoprotective activity of the complexes against the oxidative damage generated exogenously by hydrogen peroxide in the hippocampal neuronal HT22 cell line (the MTT and LDH tests) is reported. In a low concentration (1 μM), the cytoprotective action of thiodiacetate complexes is much higher than that of the corresponding oxydiacetate complexes. However, in the higher concentration range (10 and 100 μM), the antioxidant activity of the complexes is overcompensated by their cytotoxic effect.

  5. Theoretical investigation, biological evaluation and VEGFR2 kinase studies of metal(II) complexes derived from hydrotris(methimazolyl)borate.

    Science.gov (United States)

    Jayakumar, S; Mahendiran, D; Srinivasan, T; Mohanraj, G; Kalilur Rahiman, A

    2016-02-01

    The reaction of soft tripodal scorpionate ligand, sodium hydrotris(methimazolyl)borate with M(ClO4)2·6H2O [MMn(II), Ni(II), Cu(II) or Zn(II)] in methanol leads to the cleavage of B-N bond followed by the formation of complexes of the type [M(MeimzH)4](ClO4)2·H2O (1-4), where MeimzH=methimazole. All the complexes were fully characterized by spectro-analytical techniques. The molecular structure of the zinc(II) complex (4) was determined by X-ray crystallography, which supports the observed deboronation reaction in the scorpionate ligand with tetrahedral geometry around zinc(II) ion. The electronic spectra of complexes suggested tetrahedral geometry for manganese(II) and nickel(II) complexes, and square-planar geometry for copper(II) complex. Frontier molecular orbital analysis (HOMO-LUMO) was carried out by B3LYP/6-31G(d) to understand the charge transfer occurring in the molecules. All the complexes exhibit significant antimicrobial activity against Gram (-ve) and Gram (+ve) bacterial as well as fungal strains, which are quite comparable to standard drugs streptomycin and clotrimazole. The copper(II) complex (3) showed excellent free radical scavenging activity against DPPH in all concentration with IC50 value of 30μg/mL, when compared to the other complexes. In the molecular docking studies, all the complexes showed hydrophobic, π-π and hydrogen bonding interactions with BSA. The cytotoxic activity of the complexes against human hepatocellular liver carcinoma (HepG2) cells was assessed by MTT assay, which showed exponential responses toward increasing concentration of complexes.

  6. Effect of fermented non-starch polysaccharide complexes on sorption of heavy metal ions in biological systems

    Directory of Open Access Journals (Sweden)

    L. E. Glagoleva

    2013-01-01

    Full Text Available Hydrolytic action enzyme for modification of nonstarch polysaccharide complexes was developed and studied their influence on sorption activity in relation to heavy metals in biosystem.

  7. Metal complexes of ONO donor Schiff base ligand as a new class of bioactive compounds: synthesis, characterization and biological evolution.

    Science.gov (United States)

    Kumar Naik, K H; Selvaraj, S; Naik, Nagaraja

    2014-10-15

    Present work reviews that, the synthesis of (E)-N'-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzohydrazide [L] ligand and their metal complexes. The colored complexes were prepared of type [M(2+)L]X2, where M(2+)=Mn, Co, Ni, Cu, Sr and Cd, L=(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzohydrazide, X=Cl(-). Ligand derived from the condensation of 8-formyl-7-hydroxy-4-methylcoumarin and benzohydrazide in the molar ratio 1:1 and in the molar ratio 1:2 for metal complexes have been prepared. The chelation of the ligand to metal ions occurs through the both oxygen groups, as well as the nitrogen atoms of the azomethine group of the ligand. Reactions of the Schiff base ligand with Manganese(II), Cobalt(II), Nickel(II), Copper(II), Strontium(II), and Cadmium(II) afforded the corresponding metal complexes. The structures of the obtained ligand and their respective metal complexes were elucidated by infra-red, elemental analysis, Double beam UV-visible spectra, conductometric measurements, magnetic susceptibility measurements and also thermochemical studies. The metal complex exhibits octahedral coordination geometrical arrangement. Schiff base ligand and their metal complexes were tested against antioxidants, antidiabetic and antimicrobial activities have been studied. The Schiff base metal complexes emerges effective α-glucosidase inhibitory activity than free Schiff base ligand.

  8. Synthesis, Spectroscopic Characterization, and Biological Activities of Metal Complexes of 4-((4-Chlorophenyldiazenyl-2-((p-tolyliminomethylphenol

    Directory of Open Access Journals (Sweden)

    C. Anitha

    2013-01-01

    Full Text Available Azo Schiff base complexes of VO(II, Mn(II, Co(II, Ni(II, Cu(II, and Zn(II have been synthesized from 4-((4-chlorophenyldiazenyl-2-((p-tolyliminomethylphenol (CDTMP. The nature of bonding and the structural features of the complexes have been deduced from elemental analysis, molar conductance, magnetic susceptibility measurements, IR, UV-Vis, 1H-NMR, EPR, mass, SEM, and fluorescence spectral studies. Spectroscopic and other analytical studies reveal square-planar geometry for copper, square-pyramidal geometry for oxovanadium, and octahedral geometry for other complexes. The EPR spectra of copper(II complex in DMSO at 300 K and 77 K were recorded, and its salient features are reported. Antimicrobial studies against several microorganisms indicate that the complexes are more potent bactericides and fungicides than the ligand. The electrochemical behavior of the copper(II complex was studied by cyclic voltammetry. All the synthesized compounds can serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The second harmonic conversion efficiency of the synthesized azo Schiff base was found to be higher than that of urea and KDP (potassium dihydrogen phosphate. SEM image of copper(II complex implies the crystalline state and surface morphology of the complex.

  9. Synthesis, characterization, biological studies (DNA binding, cleavage, antibacterial and topoisomerase I) and molecular docking of copper(II) benzimidazole complexes.

    Science.gov (United States)

    Arjmand, Farukh; Parveen, Shazia; Afzal, Mohd; Shahid, Mohd

    2012-09-03

    To explore the therapeutic potential of copper-based benzimidazole complexes, tetranuclear Cu(II) complex 1 and dinuclear ternary amino acid complexes 2 and 3 {L-trp and L-val, respectively} were synthesized and thoroughly characterized. In vitro DNA binding studies of complexes 1-3 were carried out employing UV-vis titrations, fluorescence, circular dichroic and viscosity measurements which revealed that the complexes 1-3 bind to CT DNA preferably via groove binding. Complex 1 cleaved pBR322 DNA via hydrolytic pathway (validated by T4 DNA ligase assay), accessible to major groove while 2 followed oxidative mechanism, binding to minor groove of DNA double helix; binding events were further validated by molecular docking studies. Additionally, the complexes 1 and 2 exhibit high Topo-I inhibitory activity at different concentrations. The complexes 1-3 were evaluated for antibacterial activity against Escherichia coli and Staphylococcus aureus, and 2 was found to be most effective against Gram-positive bacteria.

  10. Metal complexes of ONO donor Schiff base ligand as a new class of bioactive compounds; Synthesis, characterization and biological evolution

    Science.gov (United States)

    Kumar Naik, K. H.; Selvaraj, S.; Naik, Nagaraja

    2014-10-01

    Present work reviews that, the synthesis of (E)-N";-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzohydrazide [L] ligand and their metal complexes. The colored complexes were prepared of type [M2+L]X2, where M2+ = Mn, Co, Ni, Cu, Sr and Cd, L = (7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzohydrazide, X = Cl-. Ligand derived from the condensation of 8-formyl-7-hydroxy-4-methylcoumarin and benzohydrazide in the molar ratio 1:1 and in the molar ratio 1:2 for metal complexes have been prepared. The chelation of the ligand to metal ions occurs through the both oxygen groups, as well as the nitrogen atoms of the azomethine group of the ligand. Reactions of the Schiff base ligand with Manganese(II), Cobalt(II), Nickel(II), Copper(II), Strontium(II), and Cadmium(II) afforded the corresponding metal complexes. The structures of the obtained ligand and their respective metal complexes were elucidated by infra-red, elemental analysis, Double beam UV-visible spectra, conductometric measurements, magnetic susceptibility measurements and also thermochemical studies. The metal complex exhibits octahedral coordination geometrical arrangement. Schiff base ligand and their metal complexes were tested against antioxidants, antidiabetic and antimicrobial activities have been studied. The Schiff base metal complexes emerges effective α-glucosidase inhibitory activity than free Schiff base ligand.

  11. Synthesis, spectral characterization, molecular modeling, thermal study and biological evaluation of transition metal complexes of a bidentate Schiff base ligand.

    Science.gov (United States)

    Chandra, Sulekh; Bargujar, Savita; Nirwal, Rita; Qanungo, Kushal; Sharma, Saroj K

    2013-09-01

    Complexes of copper(II) and nickel(II) of general composition M(L)2X2, have been synthesized [where L=3-Bromoacetophenone thiosemicarbazone and X=CH3COO(-), Cl(-) and NO3(-)]. All the complexes were characterized by elemental analysis, magnetic moments, IR, electronic and EPR spectral studies. The ligand behaved as bidentate and coordinated through sulfur of -C=S group and nitrogen atoms of -C=N group. The copper(II) and nickel(II) complexes were found to have magnetic moments 1.94-2.02 BM, 2.96-3.02 BM respectively which was corresponding to one and two unpaired electrons respectively. The molar conductance of the complexes in solution of DMSO lies in the range of 10-20 Ω(-1) cm(2) mol(-1) indicating their non-electrolytic behavior. On the basis of EPR, electronic and infrared spectral studies, tetragonal geometry has been assigned for copper(II) complexes and an octahedral geometry for nickel(II) complexes. The values of Nephelauxetic parameter β lie in the range 0.19-0.37 which indicated the covalent character in metal ligand 'σ' bond. Synthesized ligand and its copper(II) and nickel(II) complexes have also been screened against different bacterial and fungal species which suggested that complexes are more active than the ligands in antimicrobial activities.

  12. Reproductive biology and variation of nuclear ribosomal ITS and ETS sequences in the Calligonum mongolicum complex (Polygonaceae).

    Science.gov (United States)

    Shi, Wei; Wen, Jun; Zhao, Yanfeng; Johnson, Gabriel; Pan, Borong

    2017-01-01

    To explore the biosystematics of the Calligonum mongolicum complex (Polygonaceae), the flowering phenological period, breeding and pollination characters and seed set of the complex (Calligonum Mongolicum Turze, Calligonum chinense A. Los., Calligonum gobicum A. Los., Calligonum pumilum A. Los. and Calligonum zaidamense A. Los.) were documented in the Turpan Eremophyte Botanical Garden, China. The sequences of the nuclear ribosomal ITS and ETS region were employed to differentiate the Calligonum mongolicum complex and other species in sect. Medusae. The results showed species of the Calligonum mongolicum complex occupied overlapping flowering periods and had consistent pollination agents. Their breeding systems are all self-compatible, tend to be out-crossing and they interbreed amongst each other (out-crossing index, OCI = 4).The crosses within and amongst species had high seed sets (44 - 65%). Phylogenetic analyses of Calligonum sect. Medusae and the network analysis of nrDNA (ITS and ETS) in the complex suggest interbreeding amongst "species" within the complex and provide evidence for taxonomically merging the five species in the complex. The detected hybridisation, occurring within the complex, suggests the need to improve traditional methods of ex situ plant conservation in botanical gardens for maintaining genetic diversity of Calligonum within and amongst species from different geographic areas.

  13. Biological Properties of Chloro-salicylidene Aniline and Its Complexes with Co(II) and Cu(II)

    OpenAIRE

    IQBAL, Javed; TIRMIZI, Syed Ahmad; Wattoo,Feroza Hamid; Imran, Muhammad

    2014-01-01

    New complexes of chloro-salicylidene aniline with Co(II) and Cu(II) were synthesised and screened for antibacterial activity against several bacterial strains, namely Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa. The metal complexes showed enhanced antibacterial activity compared to uncomplexed ligands.

  14. Biological Properties of Chloro-salicylidene Aniline and Its Complexes with Co(II) and Cu(II)

    OpenAIRE

    IQBAL, Javed; TIRMIZI, Syed Ahmad; Wattoo,Feroza Hamid; Imran, Muhammad

    2006-01-01

    New complexes of chloro-salicylidene aniline with Co(II) and Cu(II) were synthesised and screened for antibacterial activity against several bacterial strains, namely Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa. The metal complexes showed enhanced antibacterial activity compared to uncomplexed ligands.

  15. Reproductive biology and variation of nuclear ribosomal ITS and ETS sequences in the Calligonum mongolicum complex (Polygonaceae

    Directory of Open Access Journals (Sweden)

    Wei Shi

    2017-01-01

    Full Text Available To explore the biosystematics of the Calligonum mongolicum complex (Polygonaceae, the flowering phenological period, breeding and pollination characters and seed set of the complex (C. Mongolicum Turze, C. chinense A. Los., C. gobicum A. Los., C. pumilum A. Los. and C. zaidamense A. Los. were documented in the Turpan Eremophyte Botanical Garden, China. The sequences of the nuclear ribosomal ITS and ETS region were employed to differentiate the C. mongolicum complex and other species in sect. Medusae. The results showed species of the C. mongolicum complex occupied overlapping flowering periods and had consistent pollination agents. Their breeding systems are all self-compatible, tend to be out-crossing and they interbreed amongst each other (out-crossing index, OCI = 4.The crosses within and amongst species had high seed sets (44 - 65%. Phylogenetic analyses of Calligonum sect. Medusae and the network analysis of nrDNA (ITS and ETS in the complex suggest interbreeding amongst “species” within the complex and provide evidence for taxonomically merging the five species in the complex. The detected hybridisation, occurring within the complex, suggests the need to improve traditional methods of ex situ plant conservation in botanical gardens for maintaining genetic diversity of Calligonum within and amongst species from different geographic areas.

  16. Synthesis, characterization and biological activity of ferrocene-based Schiff base ligands and their metal (II) complexes

    Science.gov (United States)

    Liu, Yu-Ting; Lian, Gui-Dan; Yin, Da-Wei; Su, Bao-Jun

    Metal (II) complexes derived from S-benzyl-N-(1-ferrocenyl-3-(4-methylbenzene)acrylketone) dithiocarbazate; HL1, S-benzyl-N-(1-ferrocenyl-3-(4-chlorobenzene)acrylketone)dithiocarbazate; HL2, all the compounds were characterized using various spectroscopic techniques. The molar conductance data revealed that the chelates were non-electrolytes. IR spectra showed that the Schiff bases were coordinated to the metal ions in a bidentate manner with N, S donor sites. The ligands and their metal complexes have been screened for in vitro antibacterial, antifungal properties. The result of these studies have revealed that zinc (II) complexes 6 and 13 of both the ligands and copper (II) complexes 9 of the HL2 were observed to be the most active against all bacterial strains, antifungal activity was overall enhanced after complexation of the ligands.

  17. Does constructive neutral evolution play an important role in the origin of cellular complexity? Making sense of the origins and uses of biological complexity

    NARCIS (Netherlands)

    D. Speijer

    2011-01-01

    Recently, constructive neutral evolution has been touted as an important concept for the understanding of the emergence of cellular complexity. It has been invoked to help explain the development and retention of, amongst others, RNA splicing, RNA editing and ribosomal and mitochondrial respiratory

  18. Nickel-quinolones interaction. Part 5-Biological evaluation of nickel(II) complexes with first-, second- and third-generation quinolones.

    Science.gov (United States)

    Skyrianou, Kalliopi C; Perdih, Franc; Papadopoulos, Athanasios N; Turel, Iztok; Kessissoglou, Dimitris P; Psomas, George

    2011-10-01

    The nickel(II) complexes with the quinolone antibacterial agents oxolinic acid, flumequine, enrofloxacin and sparfloxacin in the presence of the N,N'-donor heterocyclic ligand 2,2'-bipyridylamine have been synthesized and characterized. The quinolones act as bidentate ligands coordinated to Ni(II) ion through the pyridone oxygen and a carboxylato oxygen. The crystal structure of [(2,2'-bipyridylamine)bis(sparfloxacinato)nickel(II)] has been determined by X-ray crystallography. UV study of the interaction of the complexes with calf-thymus DNA (CT DNA) has shown that they bind to CT DNA with [(2,2'-bipyridylamine)bis(flumequinato)nickel(II)] exhibiting the highest binding constant to CT DNA. The cyclic voltammograms of the complexes have shown that in the presence of CT DNA the complexes can bind to CT DNA by the intercalative binding mode which has also been verified by DNA solution viscosity measurements. Competitive study with ethidium bromide (EB) has shown that the complexes can displace the DNA-bound EB indicating that they bind to DNA in strong competition with EB. The complexes exhibit good binding propensity to human or bovine serum albumin protein having relatively high binding constant values. The biological properties of the [Ni(quinolonato)(2)(2,2'-bipyridylamine)] complexes have been evaluated in comparison to the previously reported Ni(II) quinolone complexes [Ni(quinolonato)(2)(H(2)O)(2)], [Ni(quinolonato)(2)(2,2'-bipyridine)] and [Ni(quinolonato)(2)(1,10-phenanthroline)]. The quinolones and their Ni(II) complexes have been tested for their antioxidant and free radical scavenging activity. They have been also tested in vitro for their inhibitory activity against soybean lipoxygenase.

  19. Gold nanorods: their potential for photothermal therapeutics and drug delivery, tempered by the complexity of their biological interactions.

    Science.gov (United States)

    Alkilany, Alaaldin M; Thompson, Lucas B; Boulos, Stefano P; Sisco, Patrick N; Murphy, Catherine J

    2012-02-01

    Gold nanorods have promising applications in the fields of drug delivery and photothermal therapy. These promises arise from the nanorods' unique optical and photothermal properties, the availability of synthetic protocols that can tune the size and shape of the particles, the ability to modify the surface and conjugate drugs/molecules to the nanorods, and the relative biocompatibility of gold nanorods. In this review, current progress in using gold nanorods as phototherapeutic agents and as drug delivery vehicles is summarized. Issues of dosage, toxicity and biological interactions at three levels (biological media alone; cells; whole organisms) are discussed, concluding with recommendations for future work in this area.

  20. Synthesis, photoluminescence and biological properties of terbium(III) complexes with hydroxyketone and nitrogen containing heterocyclic ligands

    Science.gov (United States)

    Poonam; Kumar, Rajesh; Boora, Priti; Khatkar, Anurag; Khatkar, S. P.; Taxak, V. B.

    2016-01-01

    The ternary terbium(III) complexes [Tb(HDAP)3ṡbiq], [Tb(HDAP)3ṡdmph] and [Tb(HDAP)3ṡbathophen] were prepared by using methoxy substituted hydroxyketone ligand HDAP (2-hydroxy-4,6-dimethoxyacetophenone) and an ancillary ligand 2,2-biquinoline or 5,6-dimethyl-1,10-phenanthroline or bathophenanthroline respectively. The ligand and synthesized complexes were characterised based on elemental analysis, FT-IR and 1H NMR. Thermal behaviour of the synthesized complexes illustrates the general decomposition patterns of the complexes by thermogravimetric analysis. Photophysical properties such as excitation spectra, emission spectra and luminescence decay curves of the complexes were investigated in detail. The main green emitting peak at 548 nm can be attributed to 5D4 → 7F5 of Tb3+ ion. Thus, these complexes might be used to make a bright green light-emitting diode for display purpose. In addition the in vitro antibacterial activities of HDAP and its Tb(III) complexes against Bacillus subtilis, Staphylococcus aureus, Escherichia coli and antifungal activities against Candida albicans and Aspergillus niger are reported. The Tb3+ complexes were found to be more potent antimicrobial agent as compared to the ligand. Among all these complexes, [Tb(HDAP)3ṡbathophen] exhibited excellent antimicrobial activity which proves its potential usefulness as an antimicrobial agent. Furthermore, in vitro antioxidant activity tests were carried out by using DPPH method which indicates that the complexes have considerable antioxidant activity when compared with the standard ascorbic acid.

  1. Synthesis, Spectral, Thermal Analysis, Biological Activity and Kinetic Studies of Copper(II)-Pyridine-2,5-dicarboxylate Complexes with 2-Aminomethylpyridine and 8-Hydroxyquinoline.

    Science.gov (United States)

    Colak, Alper Tolga; Colak, Ferdağ; Atar, Necip; Olgun, Asım

    2010-03-01

    In this work we report the synthesis of two novel square-planar copper(II) complexes, namely, (2-aminomethylpyridinium-pyridinedicarboxylato)copper(II) dihydrate, [Cu(pydc)(2-amp)] • 2H2O (1) and (8-hydroxyquinolinum-pyridinedicarboxylato)copper(II) hydrate, [Cu(pydc)(8-HQ)] • H2O (2) (2-amp = 2-aminomethylpyridine, 8-HQ = 8-hydroxyquinoline, H2pydc = pyridine-2,5-dicarboxylic acid or isocinchomeronic acid) and present the first preliminary study on kinetics and biological activities of copper complexes. The synthesized complexes have been characterized by elemental, spectroscopic (FT-IR, UV and mass spectra), thermal analysis, magnetic and conductivity measurements techniques. Kinetic parameters were obtained for each stage of thermal degradation of the complexes using Coats-Redfern and Horowitz-Metzger methods. Antimicrobial activities of two complexes and two ligands were evaluated using agar diffusion method. Antimicrobial activity of complex 2 was determined with the agar dilution methods. The results were compared with two well known antibiotics, namely, tetracycline and nystatin.

  2. Synthesis, structural characterization, and biological studies of new antimony(III) complexes with thiones. The influence of the solvent on the geometry of the complexes.

    Science.gov (United States)

    Ozturk, Ibrahim I; Hadjikakou, Sotiris K; Hadjiliadis, Nick; Kourkoumelis, Nikolaos; Kubicki, Maciej; Baril, Martin; Butler, Ian S; Balzarini, Jan

    2007-10-15

    Five new antimony(III) complexes with the heterocyclic thiones 2-mercapto-benzimidazole (MBZIM), 5-ethoxy-2-mercapto-benzimidazole (EtMBZIM), and 2-mercapto-thiazolidine (MTZD) of formulas {[SbCl(2)(MBZIM)4]+.Cl-.2H(2)O. (CH(3)OH)} (1), {[SbCl(2)(MBZIM)4]+.Cl-.3H(2)O.(CH3CN)} (2), [SbCl(3)(MBZIM)2] (3), [SbCl(3)(EtMBZIM)(2)] (4), and [SbCl(3)(MTZD)2] (5) have been synthesized and characterized by elemental analysis, FT-IR, far-FT-IR, differential thermal analysis-thermogravimetry, X-ray diffraction, and conductivity measurements. Complex {[SbCl2(tHPMT)(2)]+Cl-}, (tHPMT = 2-mercapto-3,4,5,6-tetrahydro-pyrimidine), already known, was also prepared, and its X-ray crystal structure was solved. It is shown that the complex is better described as {[SbCl3(tHPMT)(2)]} (6). Crystal structures of all other complexes (1-5) have also been determined by X-ray diffraction at ambient conditions. The crystal structure of the hydrated ligand, EtMBZIM.H2O is also reported. Compound [C(28)H(24)Cl(2)N(8)S(4)Sb.2H(2)O.Cl.(CH(3)OH)] (1) crystallizes in space group P2(1), with a = 7.7398(8) A, b = 16.724(3) A, c = 13.717(2) A, beta = 98.632(11) degrees, and Z = 2. Complex [C(28)H(24)Cl(2)N(8)S(4)S(b).Cl.3H(2)O.(CH(3)CN)] (2) corresponds to space group P2(1), with a = 7.8216(8) A, b = 16.7426(17) A, c = 13.9375(16) A, beta = 99.218(10) degrees , and Z = 2. In both 1 and 2 complexes, four sulfur atoms from thione ligands and two chloride ions form an octahedral (Oh) cationic [SbS(4)Cl(2)]+ complex ion, where chlorides lie at axial positions. A third chloride counteranion neutralizes it. Complexes 1 and 2 are the first examples of antimony(III) compounds with positively charged Oh geometries. Compound [C(14)H(12)Cl(3)N(4)S(2)S(b)] (3) crystallizes in space group P, with a = 7.3034(5) A, b = 11.2277(7) A, c = 12.0172(8) A, alpha = 76.772(5) degrees, beta = 77.101(6) degrees, gamma = 87.450(5) degrees, and Z = 2. Complex [C(18)H(20)Cl(3)N(4)O(2)S(2)S(b)] (4) crystallizes in space group P1

  3. NTP technical report on the toxicity studies of Cupric Sulfate (CAS No. 7758-99-8) Administered in Drinking Water and Feed to F344/N Rats and B6C3F1 Mice.

    Science.gov (United States)

    Hebert, Charles

    1993-07-01

    Cupric sulfate is an inorganic salt which is widely used in industry, agriculture, and veterinary medicine. Its applications include use as an algicide in potable waters and as a feed additive and therapeutic agent in swine, sheep, and cattle. Because copper salts are found in human water supplies, toxicity studies of cupric sulfate pentahydrate were conducted in male and female F344/N rats and B6C3F1 mice by the drinking water (2-week studies only) and dosed feed routes (2-week and 13-week studies). Animals were evaluated for hematology, clinical chemistry, urinalysis, reproductive toxicity, tissue metal accumulation, and histopathology. In the 2-week drinking water studies, groups of five rats and five mice per sex received cupric sulfate at concentrations of 300 to 30,000 ppm for 15 days. One female rat, one male mouse, and three female mice in the 3000 ppm groups and all rats and mice in the 10,000 and 30,000 ppm groups died before the end of the studies. The remaining mice and rats in the 3000 ppm groups gained little or lost weight. Water consumption in the three highest dose groups of both species was reduced by more than 65%. Clinical signs observed in these groups were typical of those seen in moribund animals and were attributed to dehydration. The only gross or microscopic change specifically related to cupric sulfate toxicity was an increase in the size and number of cytoplasmic protein droplets in the epithelium of the renal proximal convoluted tubule in male rats from the 300 and 1000-ppm groups. In the 2-week feed studies, groups of five rats and five mice per sex were fed diets containing 1000 to 16,000 ppm cupric sulfate. No chemical-related deaths occurred in any dose group. Compared to the controls, rats and mice in the two highest dose groups had reduced body weight gains which were attributed to decreased feed consumption. Hyperplasia with hyperkeratosis of the squamous epithelium on the limiting ridge of the forestomach was seen in rats and

  4. Synthesis, spectroscopic, coordination and biological activities of some transition metal complexes containing ONO tridentate Schiff base ligand.

    Science.gov (United States)

    Belal, A A M; El-Deen, I M; Farid, N Y; Zakaria, Rosan; Refat, Moamen S

    2015-01-01

    The main target of this paper is to get an interesting data for the preparation and characterizations of metal oxide (MO) nanoparticles using H2L Schiff base complexes as precursors through the thermal decomposition procedure. Five Schiff base complexes of Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) metal ions were synthesized from 2-[(2-hydroxy-naphthalen-1-ylmethylene)-amino]-benzoic acid new adduct (H2L). Theses complexes were characterized using infrared, electronic, mass and (1)H NMR spectroscopic techniques. The elemental analysis data was confirmed that the stoichiometry of (metal:H2L) is 1:1 molar ratio. The molar conductance indicates that all of complexes are non electrolytic. The general chemical formulas of these complexes is [M(L)(NH3)]·nH2O. All complexes are tetrahedral geometry. The thermal decomposition behavior of H2L hydrated and anhydrous complexes has been discussed using thermogravimetric analysis (TG/DTG) and differential thermal analyses (DTA) under nitrogen atmosphere. The crystalline phases of the reaction products were checked using X-ray diffractometer (XRD) and scanning electron microscopy (SEM).

  5. EPR interpretation, magnetism and biological study of a Cu(II) dinuclear complex assisted by a schiff base precursor.

    Science.gov (United States)

    Das, Kuheli; Patra, Chiranjit; Sen, Chandana; Datta, Amitabha; Massera, Chiara; Garribba, Eugenio; El Fallah, Mohamed Salah; Beyene, Belete B; Hung, Chen-Hsiung; Sinha, Chittaranjan; Askun, Tulin; Celikboyun, Pinar; Escudero, Daniel; Frontera, Antonio

    2016-12-30

    A new Cu(II) dinuclear complex, Cu2L2 (1) was afforded employing the potentially pentatentate Schiff base precursor H2L, a refluxed product of o-vanillin and diethylenetriamine in methanol. Complex 1 was systematically characterized by FTIR, UV-Vis, emission and EPR spectrometry. The single crystal X-ray diffraction analysis of 1 reveals that the copper atom exhibits a distorted square planar geometry, comprising two pairs of phenolato-O and imine-N donors from two different H2L ligands. The temperature dependent magnetic interpretation agrees with the existence of weak antiferromagnetic interactions between the bridging dinuclear Cu(II) ions. A considerable body of experimental evidence has been accumulated to elucidate the magneto-structural relationship in this dinuclear Cu(II) complex by DFT computation. Both the ligand and complex 1 exhibit anti-mycobacterial activity and considerable efficacy on M. tuberculosis H37Ra (ATCC 25177) and M. tuberculosis H37Rv (ATCC 25618) strains. The practical applicability of the ligand and complex 1 has been examined in living cells (African Monkey Vero Cells). The MTT assay proves the non-toxicity of the probe up to 100 mg mL(-1). A new homometallic dinuclear Cu(II) complex is afforded with a tetradentate Schiff base precursor. EPR interpretation and temperature dependent magnetic studies show that complex 1 has weak antiferromagnetic coupling and DFT computation is governed to explain the magneto-structural correlation.

  6. Coping with the abstract and complex nature of genetics in biology education : The yo-yo learning and teaching strategy

    NARCIS (Netherlands)

    Knippels, M.C.P.J.

    2002-01-01

    This thesis describes a research project that was carried out at the Centre for Science and Mathematics Education at Utrecht University between 1998 and 2002. The study addresses problems in learning and teaching genetics in upper secondary biology education. The aim of the study is to develop a the

  7. Trends in lipoplex physical properties dependent on cationic lipid structure, vehicle and complexation procedure do not correlate with biological activity.

    Science.gov (United States)

    Ferrari, M E; Rusalov, D; Enas, J; Wheeler, C J

    2001-04-01

    Using a group of structurally related cytofectins, the effects of different vehicle constituents and mixing techniques on the physical properties and biological activity of lipoplexes were systematically examined. Physical properties were examined using a combination of dye accessibility assays, centrifugation, gel electrophoresis and dynamic light scattering. Biological activity was examined using in vitro transfection. Lipoplexes were formulated using two injection vehicles commonly used for in vivo delivery (PBS pH 7.2 and 0.9% saline), and a sodium phosphate vehicle previously shown to enhance the biological activity of naked pDNA and lipoplex formulations. Phosphate was found to be unique in its effect on lipoplexes. Specifically, the accessible pDNA in lipoplexes formulated with cytofectins containing a gamma-amine substitution in the headgroup was dependent on alkyl side chain length and sodium phosphate concentration, but the same effects were not observed when using cytofectins containing a beta-OH headgroup substitution. The physicochemical features of the phosphate anion, which give rise to this effect in gamma-amine cytofectins, were deduced using a series of phosphate analogs. The effects of the formulation vehicle on transfection were found to be cell type-dependent; however, of the formulation variables examined, the liposome/pDNA mixing method had the greatest effect on transgene expression in vitro. Thus, though predictive physical structure relationships involving the vehicle and cytofectin components of the lipoplex were uncovered, they did not extrapolate to trends in biological activity.

  8. Synthesis, Characterization, and Biological Activity of Some Transition Metal Complexes of N-Benzoyl-N′-2-thiophenethiocarbohydrazide

    Directory of Open Access Journals (Sweden)

    Mahendra Yadav

    2012-01-01

    Full Text Available In the present study, Mn(II, Fe(II, Ni(II, and Cu(II complexes of N-benzoyl -N′-2-thiophenethiocarbohydrazide (H2 BTTH have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, infrared, NMR, electronic, and ESR spectral studies. The complexes were found to have compositions [Mn(H BTTH2], [Ni(BTTH(H2O2], [Cu(BTTH], and [Fe(H BTTH2EtOH]. The antibacterial and antifungal properties of H2 BTTH and its metal complexes have been screened against several bacteria and fungi.

  9. Spectral, magnetic and biological studies of 1,4-dibenzoyl-3-thiosemicarbazide complexes with some first row transition metal ions

    Indian Academy of Sciences (India)

    Nand K Singh; Saty B Singh; Anuraag Shrivastav; Sukh M Singh

    2001-08-01

    The ligand 1,4-dibenzoyl-3-thiosemicarbazide (DBtsc) forms complexes [M(DBtsc-H)(SCN)] [M = Mn(II), Co(II) or Zn(II)], [M(DBtscH)(SCN)(H2O)] [M = Ni(II) or Cu(II)], [M(DBtsc-H)Cl] [M = Co(II), Ni(II), Cu(II) or Zn(II)] and [Mn(DBtsc)Cl2], which have been characterized by elemental analyses, magnetic susceptibility measurements, UV/Vis, IR, 1H and 13C NMR and FAB mass spectral data. Room temperature ESR spectra of the Mn(II) and Cu(II) complexes yield values, characteristic of tetrahedral and square planar complexes respectively. DBtsc and its soluble complexes have been screened against several bacteria, fungi and tumour cell lines.

  10. Microwave-assisted synthesis, characterization and biological activities of organotin (IV) complexes with some thio Schiff bases.

    Science.gov (United States)

    Singh, Ran Vir; Chaudhary, Pratibha; Chauhan, Shikha; Swami, Monika

    2009-03-01

    Microwave-assisted synthesis and characterization of the organotin (IV) complexes are reported. Trigonal bipyramidal and octahedral complexes of tin (IV) have been synthesized by the reaction of dimethyltin (IV) dichloride with 4-nitrobenzanilide-S-benzyldithiocarbazate (L(1)H), 4-chlorobenzanilide-S-benzyldithiocarbazate (L(2)H), 4-nitrobenzanilidebenzothiazoline (L(3)H) and 4-chlorobenzanilidebenzothiazoline (L(4)H). The complexes so formed were characterized by elemental analysis, conductance measurements, molecular weight determinations and spectral data viz. IR, UV-Visible, (1)H and (13)C NMR. The anti-microbial activities of the ligands and their corresponding organotin (IV) complexes have been screened against various strains of bacteria and fungi. Antifertility activity against male albino rats has also been reported.

  11. Synthesis, characterization, electrochemical studies and DFT calculations of amino acids ternary complexes of copper (II) with isonitrosoacetophenone. Biological activities

    Science.gov (United States)

    Tidjani-Rahmouni, Nabila; Bensiradj, Nour el Houda; Djebbar, Safia; Benali-Baitich, Ouassini

    2014-10-01

    Three mixed complexes having formula [Cu(INAP)L(H2O)2] where INAP = deprotonated isonitrosoacetophenone and L = deprotonated amino acid such as histidine, phenylalanine and tryptophan have been synthesized. They have also been characterized using elemental analyses, molar conductance, UV-Vis, IR and ESR spectra. The value of molar conductance indicates them to be non-electrolytes. The spectral studies support the binding of the ligands with two N and two O donor sites to the copper (II) ion, giving an arrangement of N2O2 donor groups. Density Functional Theory (DFT) calculations were applied to evaluate the cis and trans coordination modes of the two water molecules. The trans form was shown to be energetically more stable than the cis one. The ESR data indicate that the covalent character of the metal-ligand bonding in the copper (II) complexes increases on going from histidine to phenylalanine to tryptophan. The electrochemical behavior of the copper (II) complexes was determined by cyclic voltammetry which shows that the chelate structure and electron donating effects of the ligands substituent are among the factors influencing the redox potentials of the complexes. The antimicrobial activities of the complexes were evaluated against several pathogenic microorganisms to assess their antimicrobial potentials. The copper complexes were found to be more active against Gram-positive than Gram-negative bacteria. Furthermore, the antioxidant efficiencies of the metal complexes were determined by 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity. The antioxidant activity of the complexes indicates their moderate scavenging activity against the radical DPPH.

  12. Studies on some metal complexes of quinoxaline based unsymmetric ligand: Synthesis, spectral characterization, in vitro biological and molecular modeling studies.

    Science.gov (United States)

    Dhanaraj, Chellaian Justin; Johnson, Jijo

    2016-08-01

    Mononuclear Co(II), Ni(II), Cu(II) and Zn(II) complexes of an unsymmetric Schiff base ligand, 3-(-(3-(-3,5-dichloro-2-hydroxybenzylideneamino)propylimino)methyl)quinoxalin-2(1H) -one (L) were synthesized and characterized by various analytical and spectral techniques. The molar conductance values of metal complexes indicate non-electrolytic behavior of the metal complexes. The Schiff base act as tetra dentate ONNO donor ligand in Co(II), Ni(II), Zn(II) complexes and tridentate NNO donor in Cu(II) complex. Thermal stabilities of the newly synthesized compounds were determined by thermal analysis. Crystallinity, average grain size and unit cell parameters were determined from powder X-ray diffraction study. Electrochemical behaviors of the compounds were examined by cyclic voltammetry technique. The Schiff base and its complexes have been screened for their in vitro antimicrobial activities against some bacterial and fungal strains by disc diffusion method. The interaction of the compounds with calf thymus DNA (CT DNA) has been investigated by electronic absorption spectral titration and viscosity measurement (hydrodynamic) methods. Furthermore, the pUC18 DNA cleavage activities of the complexes have been explored. The compounds were also subjected to in vitro antioxidant, anticancer activity screening, druglikeness and bioactivity predictions using Molinspiration software. Molecular docking studies of the present compounds were carried out against B-DNA dodecamer d(CGCGAATTCGCG)2 and vascular endothelial growth factor receptor (VEGFR-2) kinase. Quantum chemical calculations were done with DFT method to determine the optimum geometry of the ligand and its metal complexes. From the quantum chemical parameters, the reactivity parameters of the compounds were established.

  13. STRUCTURE AND REDOX TRANSFORMATIONS OF IRON(III COMPLEXES WITH SOME BIOLOGICALLY IMPORTANT INDOLE-3-ALKANOIC ACIDS IN AQUEOUS SOLUTIONS

    Directory of Open Access Journals (Sweden)

    Krisztina Kovács

    2007-06-01

    Full Text Available Interactions of a series of indole-3-alkanoic acids (with n-alkanoic acid side-chains from C1 to C4 with iron(III in acidic aqueous solutions have been shown to comprise two parallel processes including complexation and redox transformations giving iron(II hexaaquo complexes. The structure and composition of the reaction products are discussed, as analysed using a combination of instrumental techniques including 57Fe Mössbauer, vibrational and HNMR spectroscopies.

  14. Synthesis and biological evaluation of novel platinum complexes of imidazolyl-containing bisphosphonates as potential anticancer agents.

    Science.gov (United States)

    Qiu, Ling; Lv, Gaochao; Cao, Yang; Chen, Liping; Yang, Hui; Luo, Shineng; Zou, Meifen; Lin, Jianguo

    2015-12-01

    Four novel platinum complexes, [Pt(en)]2ZL (1), [Pt(en)]2IPrBP (2), [Pt(en)]2MIBP (3) and [Pt(en)]2EIBP (4) [en = ethylenediamine; ZL = 1-hydroxy-3-(1H-imidazol-1-yl)ethane-1,1-diylbisphosphonic acid, commonly known as zoledronic acid; IPrBP = 1-hydroxy-3-(1H-imidazol-1-yl)propane-1,1-diylbisphosphonic acid; MIBP = 1-hydroxy-2-(2-methyl-1H-imidazol-1-yl)ethane-1,1-diylbisphosphonic acid; EIBP = 1-hydroxy-2-(2-ethyl-1H-imidazol-1-yl)ethane-1,1-diylbisphosphonic acid], were prepared and evaluated against five human cancer cell lines, including U2OS, A549, HCT116, MDA-MB-231 and HepG2. While exhibiting lower efficacy on the inhibition of cancer cell lines than cisplatin (CDDP), four complexes showed higher cytotoxicity than the corresponding ligands and relatively stronger cytotoxic effect on the hepatoma cell lines HepG2, and the complex 1 showed higher cytotoxicity than others on the whole. These complexes have better selectivity than the corresponding ligands in inhibiting hepatocarcinoma cells rather than normal liver cells, and the selective inhibitory effect of the complex 1 at the high concentration (100 μM) is better than that at the low concentration. Morphology studies exhibited typical characteristics of cell apoptosis and the cell cycle distribution analysis indicated that the complexes can inhibit cancer cells by inducing the cell cycle arrest at the G2/M phase, exhibiting a similar mechanism of action to CDDP. The binding interaction of complex with DNA has been explored by circular dichroism (CD) and UV-Vis absorption spectra, demonstrating these new complexes have moderate binding affinity for DNA.

  15. Systems Biology for Smart Crops and Agricultural Innovation: Filling the Gaps between Genotype and Phenotype for Complex Traits Linked with Robust Agricultural Productivity and Sustainability.

    Science.gov (United States)

    Kumar, Anil; Pathak, Rajesh Kumar; Gupta, Sanjay Mohan; Gaur, Vikram Singh; Pandey, Dinesh

    2015-10-01

    In recent years, rapid developments in several omics platforms and next generation sequencing technology have generated a huge amount of biological data about plants. Systems biology aims to develop and use well-organized and efficient algorithms, data structure, visualization, and communication tools for the integration of these biological data with the goal of computational modeling and simulation. It studies crop plant systems by systematically perturbing them, checking the gene, protein, and informational pathway responses; integrating these data; and finally, formulating mathematical models that describe the structure of system and its response to individual perturbations. Consequently, systems biology approaches, such as integrative and predictive ones, hold immense potential in understanding of molecular mechanism of agriculturally important complex traits linked to agricultural productivity. This has led to identification of some key genes and proteins involved in networks of pathways involved in input use efficiency, biotic and abiotic stress resistance, photosynthesis efficiency, root, stem and leaf architecture, and nutrient mobilization. The developments in the above fields have made it possible to design smart crops with superior agronomic traits through genetic manipulation of key candidate genes.

  16. Complexes of platinum and palladium with β-diketones and DMSO: Synthesis, characterization, molecular modeling, and biological studies

    Science.gov (United States)

    do Couto Almeida, J.; Marzano, I. M.; de Paula, F. C. Silva; Pivatto, M.; Lopes, N. P.; de Souza, P. C.; Pavan, F. R.; Formiga, A. L. B.; Pereira-Maia, E. C.; Guerra, W.

    2014-10-01

    This work reports on the synthesis and characterization of new complexes of the type [MCl(L)DMSO], where L = 4,4,4-trifluoro-1-phenyl-1,3-butanedione (HTPB) or 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione (HTTA) and M = Pt2+ or Pd2+. These complexes were characterized by elemental analyses, conductivity measurements, FT-IR, UV-Vis, high-resolution mass spectra (HRESIMS) and TG/DTA. In the complexes, the metallic ions bind to β-diketone via the oxygen atoms and to DMSO molecule via sulfur atom. The structures of complexes were optimized and theoretical data showed good agreement with the experimental results. The cytotoxic activity of the compounds was evaluated in a chronic myelogenous leukemia cell line. The platinum complexes were more cytotoxic than the free ligands and carboplatin and are promising candidates for further investigations. As example, the compound [PtCl(TPB)(DMSO)] inhibits the growth of K562 cells with an IC50 value equal to 2.5 μM. Furthermore, microbiological assays against Mycobacterium tuberculosis showed that all complexes exhibit low cytotoxicity against this bacterial strain while the free ligands exhibited MIC values of approximately 10 μg mL-1.

  17. Synthesis, Characterisation, and Biological Evaluation of Zn(II Complex with Tridentate (NNO Donor Schiff Base Ligand

    Directory of Open Access Journals (Sweden)

    Nayaz Ahmed

    2015-01-01

    Full Text Available The present paper deals with the synthesis and characterization of metal complex of tridentate Schiff base ligand derived from the inserted condensation of 2-aminobenzimidazole (1H-benzimidazol-2-amine with salicylaldehyde (2-hydroxybenzaldehyde in a 1 : 1 molar ratio. Using this tridentate ligand, complex of Zn(II with general formula ML has been synthesized. The synthesized complex was characterized by several techniques using molar conductance, elemental analysis, FT-IR, and mass and 1HNMR spectroscopy. The elemental analysis data suggest the stoichiometry to be 1 : 1 [M : L]. The complex is nonelectrolytic in nature as suggested by molar conductance measurements. Infrared spectral data indicate the coordination between the ligand and the central metal ion through deprotonated phenolic oxygen, imidazole nitrogen of benzimidazole ring, and azomethine nitrogen atom. Spectral studies suggest tetrahedral geometry for the complex. The pure compound, synthesized ligand, and metal complex were screened for their antimicrobial activity.

  18. Magnesium cinnamate complex, [Mg(cinn)2(H2O)2]n; structural, spectroscopic, thermal, biological and pharmacokinetical characteristics

    Science.gov (United States)

    Puszyńska-Tuszkanow, Mariola; Zierkiewicz, Wiktor; Grabowski, Tomasz; Daszkiewicz, Marek; Maciejewska, Gabriela; Adach, Anna; Kucharska-Ziembicka, Katarzyna; Wietrzyk, Joanna; Filip-Psurska, Beata; Cieślak-Golonka, Maria

    2017-04-01

    The composition and structure of the magnesium complex with cinnamic acid, [Mg(cinn)2(H2O)2]n(1), were determined using single crystal X-ray diffraction data, IR, NMR spectroscopies, thermal and mass spectrometry analysis. Magnesium cinnamate complex, like the isostructural cobalt(II) species reported in the literature, appears to belong to the group of coordination polymers forming layered solids with pseudooctahedral coordination around the metal centre and Osbnd Csbnd O bridging units. The vibrational assignments of the experimental spectra of the complex (1) were performed on the basis of the DFT results obtained for the [Mg(cinn)4(H2O)2]2- ion, serving as a model. The complex was found to exhibit a very low cytotoxicity against neoplastic: A549 (lung), MCF-7 (breast), P388 (murine leukemia) and normal BALB3T3 (mouse fibroblasts) cell lines. In silico pharmacokinetical parameter calculations for (1) and seven known magnesium complexes with carboxylic acids: lactic, malic, glutamic, hydroaspartic and aspartic allowed for comparison of their potential bioavailability. Magnesium cinnamate complex appeared to exhibit a superior lipophilic property that suggests an optimal pharmacokinetics profile.

  19. Synthesis, spectral characterization, computational calculations and biological activity of complexes designed from NNO donor Schiff-base ligand.

    Science.gov (United States)

    El-Gammal, Ola A; Abu El-Reash, G M; Yousef, T A; Mefreh, M

    2015-07-05

    A new series of Co(II), Ni(II) and Cu(II) complexes of (Z)-2-oxo-2-(phenylamino)-N'-(1-(pyridin-2-yl)ethylidene)acetohydrazide (H2OPPAH) have been prepared and characterized by conventional techniques. The spectral data indicated that the ligand acts as neutral or mononegative NNO tridentate. On the basis of magnetic and electronic spectral data an octahedral geometry for Ni(II) and Cu(II) complexes and a tetrahedral geometry for Co(II) complex have been proposed. The molecular modeling using DFT method are drawn showing the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all title compounds. The Kinetic parameters were determined for each thermal degradation stages of the ligand and its complexes using Coats-Redfern and Horowitz-Metzger methods. Also, the compounds were screened for antioxidant activity using ABTS free radical, anti-hemolytic, and in vitro cytotoxic assay. H2OPPAH showed the potent antioxidant activity followed by Co(II) and Cu(II) complexes. On the other hand Ni(II) complex exhibited weak antioxidant activity using ABTS free radical and Erlich and strong erythrocyte hemolysis activity.

  20. Synthesis, spectral characterization, computational calculations and biological activity of complexes designed from NNO donor Schiff-base ligand

    Science.gov (United States)

    El-Gammal, Ola A.; El-Reash, G. M. Abu; Yousef, T. A.; Mefreh, M.

    2015-07-01

    A new series of Co(II), Ni(II) and Cu(II) complexes of (Z)-2-oxo-2-(phenylamino)-N‧-(1-(pyridin-2-yl)ethylidene)acetohydrazide (H2OPPAH) have been prepared and characterized by conventional techniques. The spectral data indicated that the ligand acts as neutral or mononegative NNO tridentate. On the basis of magnetic and electronic spectral data an octahedral geometry for Ni(II) and Cu(II) complexes and a tetrahedral geometry for Co(II) complex have been proposed. The molecular modeling using DFT method are drawn showing the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all title compounds. The Kinetic parameters were determined for each thermal degradation stages of the ligand and its complexes using Coats-Redfern and Horowitz-Metzger methods. Also, the compounds were screened for antioxidant activity using ABTS free radical, anti-hemolytic, and in vitro cytotoxic assay. H2OPPAH showed the potent antioxidant activity followed by Co(II) and Cu(II) complexes. On the other hand Ni(II) complex exhibited weak antioxidant activity using ABTS free radical and Erlich and strong erythrocyte hemolysis activity.

  1. Synthesis, spectroscopic characterization and biological activity of the metal complexes of the Schiff base derived from phenylaminoacetohydrazide and dibenzoylmethane

    Science.gov (United States)

    El-Tabl, Abdou Saad; El-Saied, Fathey A.; Plass, Winfried; Al-Hakimi, Ahmed Noman

    2008-11-01

    A new series of mono and binuclear Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), La(III), Ru(III), Hf(IV), ZrO(II) and UO 2(II) complexes of phenylaminodibenzoylhydrazone have been synthesized and characterized by elementals analyses, IR UV-vis spectra, magnetic moments, conductances, thermal analyses (DTA and TGA) and electron spin resonance (ESR) measurements. The IR spectral data show that, the ligand behaves as a neutral bidentate type ( 15 and 16), monobasic bidentate type ( 6), or monobasic tridentate type ( 5, 7, 8, 10, 11, 13, 14, 17- 21) or dibasic tridentate type 2- 4, 9 and 12 towards the metal ion. Molar conductances in DMF solution indicate that, the complexes are non-electrolytes. The ESR spectra of solid complexes ( 9 and 10) show axial and non-axial types indicating a d ground state with significant covalent bond character. However, complexes ( 11 and 12), show isotropic type, indicating manganese(II) octahedral geometry. Antibacterial and antifungal tests of the ligand and its metal complexes are also carried out and it has been observed that the complexes are more potent bactericides and fungicides than the ligand.

  2. Biologically active Schiff bases containing thiophene/furan ring and their copper(II) complexes: Synthesis, spectral, nonlinear optical and density functional studies

    Science.gov (United States)

    Gündüzalp, Ayla Balaban; Özsen, İffet; Alyar, Hamit; Alyar, Saliha; Özbek, Neslihan

    2016-09-01

    Schiff bases; 1,8-bis(thiophene-2-carboxaldimine)-p-menthane (L1) and 1,8-bis(furan-2-carboxaldimine)-p-menthane (L2) have been synthesized and characterized by elemental analysis, 1Hsbnd 13C NMR, UV-vis, FT-IR and LC-MS methods. 1H and 13C shielding tensors for L1 and L2 were calculated with GIAO/DFT/B3LYP/6-311++G(d,p) methods in CDCl3. The vibrational band assignments, nonlinear optical (NLO) activities, frontier molecular orbitals (FMOs) and absorption spectrum have been investigated by the same basis set. Schiff base-copper(II) complexes have been synthesized and structurally characterized with spectroscopic methods, magnetic and conductivity measurements. The spectroscopic data suggest that Schiff base ligands coordinate through azomethine-N and thiophene-S/furan-O donors (as SNNS and ONNO chelating systems) to give a tetragonal geometry around the copper(II) ions. Schiff bases and Cu(II) complexes have been screened for their biological activities on different species of pathogenic bacteria, those are, Gram positive bacteria: Bacillus subtitilus, Yersinia enterotica, Bacillus cereus, Listeria monocytogenes, Micrococcus luteus and Gram negative bacteria: Escherichia coli, Pseudomonas aeroginosa, Shigella dysenteriae, Salmonella typhi, Klebsiella pseudomonas by using microdilution technique (MIC values in mM). Biological activity results show that Cu(II) complexes have higher activities than parent ligands and metal chelation may affect significantly the antibacterial behavior of the organic ligands.

  3. Quantification of biopharmaceuticals and biomarkers in complex biological matrices: a comparison of liquid chromatography coupled to tandem mass spectrometry and ligand binding assays.

    Science.gov (United States)

    Bults, Peter; van de Merbel, Nico C; Bischoff, Rainer

    2015-08-01

    The quantification of proteins (biopharmaceuticals or biomarkers) in complex biological samples such as blood plasma requires exquisite sensitivity and selectivity, as all biological matrices contain myriads of proteins that are all made of the same 20 proteinogenic amino acids, notwithstanding post-translational modifications. This review describes and compares the two main approaches, namely, ligand binding assays (LBAs) and liquid chromatography coupled to tandem mass spectrometry in the selected reaction monitoring (SRM) mode. While LBAs remain the most widely used approach, SRM assays are gaining interest due to their generally better analytical performance (precision and accuracy) and their capacity for multiplex analyses. This article focuses on the possible reasons for the discrepancies between results obtained by LBAs and SRM assays.

  4. Boundary Element Method(BEM) for Solving Normal or Inverse Bio—heat Transfer Problem of Biological Bodies with Complex Shape

    Institute of Scientific and Technical Information of China (English)

    RenZePei; LiuJing; 等

    1995-01-01

    The application of BEM for solving normal or inverse bio-heat transfer problems of biological bodies with complex shapes is discussed and a new method for non-invasive reconstruction of the spatial temperature field and the non-homogeneous heat source is proposed in this paper,Tikhonov's (1979) regularization technique is used to improve the performance of ill-posed equations in the process of solving for inverse problems.The feasibility of the above mentioned method was verified by the numerical test results of a two-dimensional steady state problem.This method has laid the theoretical foundation for developing a bimedical instrument and respective software used in the non-invasive monitoring of the spatial temperature field of biological bodies.

  5. Synthesis, spectral characterization, molecular modeling, biological activity and potentiometric studies of 4-amino-5-mercapto-3-methyl-S-triazole Schiff's base complexes

    Science.gov (United States)

    Alaghaz, Abdel-Nasser M. A.; Zayed, Mohamed E.; Alharbi, Suliman A.

    2015-03-01

    The Schiff's base derived from condensation of s-triazole (4-amino-5-mercapto-3-methyl-S-triazole) with pyridine-2-aldehyde and their corresponding Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes have been synthesized. The isolated solid complexes were characterized by elemental analyses, molar conductance, spectral (IR, UV-Vis, 1H NMR, mass), magnetic moment and thermal measurements. The IR spectral data suggest that the ligand coordinate in a tridentate manner (SNN) via the one thiol (SH), one pyridine ring and the azomethine (Cdbnd N) groups. The data show that the complexes have composition of ML2 type. The activation of thermodynamic parameters are calculated using Coats-Redfern, Horowitz-Metzger (HM), and Piloyan-Novikova (PN). The octahedral geometry of the complexes is confirmed using DFT method from DMOL3 calculations and ligand field parameters. Protonation constants of Schiff base and stability constants of their binary metal complexes have been determined potentiometrically in 50% DMSO-water media at 25 °C and ionic strength 0.10 M potassium nitrate. The biological activity of these compounds against various fungi has been investigated.

  6. Spectroscopic characterization and biological studies in vitro of a new silver complex with furosemide: Prospective of application as an antimicrobial agent

    Science.gov (United States)

    Lustri, Wilton R.; Lazarini, Silmara C.; Lustri, Bruna Cardinali; Corbi, Pedro P.; Silva, Maria Aline C.; Resende Nogueira, Flávia Aparecida; Aquino, Renata; Amaral, André C.; Treu Filho, Oswaldo; Massabni, Antonio Carlos; da Silva Barud, Hernane

    2017-04-01

    The present article describes the synthesis and biological studies in vitro of a novel silver complex with furosemide (Ag-FSE). Elemental, thermal and mass spectrometric analysis indicated a 1:1 metal/ligand composition, with the molecular formula AgC12H10ClN2O5S. Infrared and nuclear magnetic resonance studies suggest coordination of the ligand to the silver ion by the oxygen atoms of the carboxylate group. Additional Density Functional Theory (DFT) studies led to the proposition of the structure of the Ag-FSE complex. The antibacterial activities of the complex were primarily evaluated by antibiogram assays using the disc diffusion method and minimum inhibitory concentrations (MIC). Moreover, the mutagenicity of the complex was also evaluated to ensure that it is safe for subsequent application. The Ag-FSE complex has shown a significant in vitro antibacterial activity against Gram-positive Staphylococcus aureus (ATCC 25923), Gram negative Escherichia coli (ATCC 25922) and Pseudomonas aeruginosa (ATCC 27853), and yeast Candida albicans (ATCC 90028). The absence of a mutagenic activity of Ag-FSE against Salmonella Typhimurium bacterial strains in the Ames assay is an extremely important finding for its future use as a drug in medicine.

  7. Herbo-mineral based Schiff base ligand and its metal complexes: Synthesis, characterization, catalytic potential and biological applications.

    Science.gov (United States)

    Kareem, Abdul; Laxmi; Arshad, Mohammad; Nami, Shahab A A; Nishat, Nahid

    2016-07-01

    Schiff base ligand, (L), derived from condensation reaction of 1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (curcumin), with pyridine-3-carboxamide, (nicotinamide), and its complexes of Co(II), Ni(II) and Cu(II) ions, containing 1,10-phenanthroline as auxiliary ligand were synthesized and characterized by various physico-chemical techniques. From the micro analytical data, the stoichiometry of the complexes 1:1 (metal: ligand) was ascertained. The Co(II) and Cu(II) forms octahedral complexes, while the geometric structure around Ni(II) atom can be described as square planar. The catalytic potential of the metal complexes have been evaluated by recording the rate of decomposition of hydrogen peroxide. The results reveal that the percent decomposition of H2O2increases with time and the highest value (50.50%) was recorded for Co(II) complex. The ligand and its complexes were also screened for their in vitro antibacterial activity against Escherichia coli, Staphylococcus aureus, Klebsiella pneumoniae, Streptococcus pyogenes and Pseudomonas aeruginosa. The relative order of antibacterial activity against S. Pyogenes, S. aureus and E. coli is Cu(II)>Ni(II)>Co(II)>(L); while with P. aeruginosa, K. pneumoniae the order of activity is Cu(II)>Co(II)>Ni(II)>(L). The anthelmintic screening was performed using Pheretima posthuma. The order of anthelmintic activity of ligand and its complexes is [(Phen)CuLCl2]>[(Phen)CoLCl2]>[(Phen)NiL]Cl2>(L).

  8. Structural biology of disease-associated repetitive DNA sequences and protein-DNA complexes involved in DNA damage and repair

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, G.; Santhana Mariappan, S.V.; Chen, X.; Catasti, P.; Silks, L.A. III; Moyzis, R.K.; Bradbury, E.M.; Garcia, A.E.

    1997-07-01

    This project is aimed at formulating the sequence-structure-function correlations of various microsatellites in the human (and other eukaryotic) genomes. Here the authors have been able to develop and apply structure biology tools to understand the following: the molecular mechanism of length polymorphism microsatellites; the molecular mechanism by which the microsatellites in the noncoding regions alter the regulation of the associated gene; and finally, the molecular mechanism by which the expansion of these microsatellites impairs gene expression and causes the disease. Their multidisciplinary structural biology approach is quantitative and can be applied to all coding and noncoding DNA sequences associated with any gene. Both NIH and DOE are interested in developing quantitative tools for understanding the function of various human genes for prevention against diseases caused by genetic and environmental effects.

  9. The Damselfly Compound Eye in the Stream Habitat: Biological Design for Object Detection in a Dark Complex Habitat

    Science.gov (United States)

    2008-12-01

    systems could be effectively adapted to a variety of specific conditions. References Corbet, P. S., 1980: Biology of odonata . Annual Review of...and ecology of Odonata . Comstock Pub. Associates, Ithaca, N.Y. Endler, J. A., 1993: The color of light in forests and its implications. Ecological...Polhemus, D. A., 1996: The orangeblack hawaiian damselfly, megalagrion xanthomelas ( odonata : Co- enagrionidae): clarifying the current range of a

  10. Comprehensive biological effects of a complex field poly-metallic pollution gradient on the New Zealand mudsnail Potamopyrgus antipodarum (Gray)

    Energy Technology Data Exchange (ETDEWEB)

    Gust, M., E-mail: marion.gust@cemagref.fr [Cemagref, UR MALY, Laboratoire d' ecotoxicologie, 3b quai Chauveau, 69009 Lyon (France); AgroPariTech ENGREF, 19 avenue du Maine, F 75732 Paris (France); Buronfosse, T., E-mail: thierry.buronfosse@inserm.fr [Universite de Lyon, Laboratoire d' endocrinologie, Ecole Nationale Veterinaire de Lyon, avenue Bourgelat, 69280 Marcy l' Etoile (France); Geffard, O., E-mail: olivier.geffard@cemagref.fr [Cemagref, UR MALY, Laboratoire d' ecotoxicologie, 3b quai Chauveau, 69009 Lyon (France); Coquery, M., E-mail: marina.coquery@cemagref.fr [Cemagref, UR MALY, Laboratoire d' analyses physico-chimiques des milieux aquatiques, 3b quai Chauveau, 69009 Lyon (France); Mons, R., E-mail: raphael.mons@cemagref.fr [Cemagref, UR MALY, Laboratoire d' ecotoxicologie, 3b quai Chauveau, 69009 Lyon (France); Abbaci, K., E-mail: khedidja.abbaci@cemagref.fr [Cemagref, UR MALY, Laboratoire d' ecotoxicologie, 3b quai Chauveau, 69009 Lyon (France); Giamberini, L., E-mail: giamb@sciences.univ-metz.fr [Laboratoire des interactions Ecotoxicologie, Biodiversite, Ecosystemes, CNRS UMR 7146, campus Bridoux, 57000 Metz (France); Garric, J., E-mail: jeanne.garric@cemagref.fr [Cemagref, UR MALY, Laboratoire d' ecotoxicologie, 3b quai Chauveau, 69009 Lyon (France)

    2011-01-17

    The Lot River is known to be contaminated by metals, mainly cadmium and zinc, due to a former Zn ore treatment plant in the watershed of the Riou-Mort, a tributary of the Lot River. Many studies have been performed to characterize contamination, but few have assessed its consequences on the biological responses of organisms along the gradient. We exposed adult and juvenile New Zealand freshwater mudsnails Potamopyrgus antipodarum at several sites along the gradient of metal contamination for 28 days. Biological responses were monitored at different levels: individual (survival, growth and fecundity), tissue and biochemical (energy status and vertebrate-like sex steroid levels) to better understand the toxicity mechanisms involved. Accumulation of Cd and Zn was high during exposure. Most of the biological effects observed could be linked to this contamination and were concentration-dependent. Histological lesions of the digestive gland were observed, with hypertrophy of calcium cells and vacuolization of digestive cells. Such effects are likely to explain the decrease of energy status (triglycerides and proteins), juvenile growth and adult fecundity observed at the most polluted site. However the magnitude of the fall in fecundity cannot be attributed only to these tissular effects, indicating another mode of action of Cd or possible confounding factors. Steroid accumulation in snails indicated only organic pollution. Histopathological effects proved the most sensitive endpoint to metal (Cd and Zn) contamination.

  11. Synthesis, structural, thermal studies and biological activity of a tridentate Schiff base ligand and their transition metal complexes.

    Science.gov (United States)

    Abd El-halim, Hanan F; Omar, M M; Mohamed, Gehad G

    2011-01-01

    Schiff base (L) ligand is prepared via condensation of pyridine-2,6-dicarboxaldehyde with -2-aminopyridine. The ligand and its metal complexes are characterized based on elemental analysis, mass, IR, solid reflectance, magnetic moment, molar conductance, and thermal analyses (TG, DTG and DTA). The molar conductance reveals that all the metal chelates are non-electrolytes. IR spectra shows that L ligand behaves as neutral tridentate ligand and bind to the metal ions via the two azomethine N and pyridine N. From the magnetic and solid reflectance spectra, it is found that the geometrical structures of these complexes are octahedral (Cr(III), Fe(III), Co(II), Ni(II), Cu(II), and Th(IV)) and tetrahedral (Mn(II), Cd(II), Zn(II), and UO2(II)). The thermal behaviour of these chelates shows that the hydrated complexes losses water molecules of hydration in the first step followed immediately by decomposition of the anions and ligand molecules in the subsequent steps. The activation thermodynamic parameters, such as, E*, ΔH*, ΔS* and ΔG* are calculated from the DTG curves using Coats-Redfern method. The synthesized ligand, in comparison to their metal complexes also was screened for its antibacterial activity against bacterial species, Escherichia coli, Pseudomonas aeruginosa, Staphylococcus pyogones and Fungi (Candida). The activity data shows that the metal complexes to be more potent/antibacterial than the parent Schiff base ligand against one or more bacterial species.

  12. 复合生物保鲜剂对缢蛏保鲜效果的研究%Fresh-Keeping Effect of Complex Biological Preservatives on Sinonovacula constricta

    Institute of Scientific and Technical Information of China (English)

    张辉; 李丽娜; 刘红英

    2012-01-01

    Sinonovacula constricta was treated with complex biological preservatives and then stored in cold environment (0 -2℃). The fresh-keeping effect of complex biological preservatives on Sinonovacula constricta was evaluated by determining the changes of thibabituric acid (TBA), free fatty acid (FFA), total volatile basic nitrogen (TVBN) and Ca2+-ATPase during the storage process. The results showed that complex biological preservatives revealed an obvious fresh-keeping effect on Sinonovacula constricta during the cold storage.The preservative composed of 0.05% lysozyme, 0.02% Nisin, 7% glycine and 0.07% potassium sorbate had the best fresh-keeping efficiency and could significantly prolong the shelf life of Sinonovacula constricta.%缢蛏肉用复合生物保鲜剂处理,进行冷藏(0~2℃)试验,观察其感官指标的变化,测定其在此过程中硫代巴比妥酸(TBA)、游离脂肪酸(FFA)、挥发性盐基氮(TVBN)、Ca2+.ATPase值等生化指标的变化。结果表明:在冷藏过程中,蜢蛏肉使用复合生物保鲜剂处理的保鲜效果明显好于对照组。几种复合生物保鲜剂配方中C组(溶菌酶0.05%、Nisin0.02%、甘氨酸7%、山梨酸钾0.07%等)保鲜效果最好,可以较长的延长缢蛏肉的货架期。

  13. Heme versus non-heme iron-nitroxyl {FeN(H)O}⁸ complexes: electronic structure and biologically relevant reactivity.

    Science.gov (United States)

    Speelman, Amy L; Lehnert, Nicolai

    2014-04-15

    Researchers have completed extensive studies on heme and non-heme iron-nitrosyl complexes, which are labeled {FeNO}(7) in the Enemark-Feltham notation, but they have had very limited success in producing corresponding, one-electron reduced, {FeNO}(8) complexes where a nitroxyl anion (NO(-)) is formally bound to an iron(II) center. These complexes, and their protonated iron(II)-NHO analogues, are proposed key intermediates in nitrite (NO2(-)) and nitric oxide (NO) reducing enzymes in bacteria and fungi. In addition, HNO is known to have a variety of physiological effects, most notably in the cardiovascular system. HNO may also serve as a signaling molecule in mammals. For these functions, iron-containing proteins may mediate the production of HNO and serve as receptors for HNO in vivo. In this Account, we highlight recent key advances in the preparation, spectroscopic characterization, and reactivity of ferrous heme and non-heme nitroxyl (NO(-)/HNO) complexes that have greatly enhanced our understanding of the potential biological roles of these species. Low-spin (ls) heme {FeNO}(7) complexes (S = 1/2) can be reversibly reduced to the corresponding {FeNO}(8) species, which are stable, diamagnetic compounds. Because the reduction is ligand (NO) centered in these cases, it occurs at extremely negative redox potentials that are at the edge of the biologically feasible range. Interestingly, the electronic structures of ls-{FeNO}(7) and ls-{FeNO}(8) species are strongly correlated with very similar frontier molecular orbitals (FMOs) and thermodynamically strong Fe-NO bonds. In contrast, high-spin (hs) non-heme {FeNO}(7) complexes (S = 3/2) can be reduced at relatively mild redox potentials. Here, the reduction is metal-centered and leads to a paramagnetic (S = 1) {FeNO}(8) complex. The increased electron density at the iron center in these species significantly decreases the covalency of the Fe-NO bond, making the reduced complexes highly reactive. In the absence of

  14. Preparation and Biological Evaluation of Two Novel Platinum(II Complexes Based on the Ligands of Dipicolyamine Bisphosphonate Esters

    Directory of Open Access Journals (Sweden)

    Ling Qiu

    2016-02-01

    Full Text Available Two new platinum(II-based complexes bearing a bone-targeting group were synthesized and characterized. They both have excellent affinity for hydroxyapatite (HA, which is abundant in human bone tissues. Their antitumor activities against five human cancer cell lines (U2OS, A549, HCT116, MDA-MB-231 and HepG2 were evaluated and compared with cisplatin (CDDP. Though the antitumor efficacies of new complexes are lower than that of CDDP, they show higher selectivity against the HepG2 hepatoma cell line than the L02 normal liver cell line. Morphology studies exhibited typical characteristics of cell apoptosis and the cell cycle distribution analysis indicated that the complexes can inhibit cancer cells by inducing cell cycle arrest at the G2/M phase, a similar mechanism of action to CDDP.

  15. Structure and biological properties of first row d-transition metal complexes with N-substituted sulfonamides.

    Science.gov (United States)

    Chohan, Zahid H; Supuran, Claudiu T

    2008-04-01

    Cobalt (II), copper (II), nickel (II) and zinc (II) complexes with 2-hydroxy-1-naphthaldehyde derived N-substituted sulfonamides have been synthesized and the nature of bonding and structure of compounds have been deduced from physical, analytical and spectral (IR, (1)H NMR, (13)C NMR, Mass and electronic) data. An octahedral geometry has been suggested for the complexes. Complexes along with the ligands were assessed for their antibacterial and antifungal activities on different species of pathogenic bacteria and fungi. The results revealed the ligands to possess moderate to significant antibacterial activity which was, in many cases, enhanced on chelation. Similar results were observed for antifungal activity. Brine shrimp bioassay was also carried out for in vitro cytotoxic properties against Artemia salina.

  16. Structural biology. Crystal structure of a CRISPR RNA-guided surveillance complex bound to a ssDNA target.

    Science.gov (United States)

    Mulepati, Sabin; Héroux, Annie; Bailey, Scott

    2014-09-19

    In prokaryotes, RNA derived from type I and type III CRISPR loci direct large ribonucleoprotein complexes to destroy invading bacteriophage and plasmids. In Escherichia coli, this 405-kilodalton complex is called Cascade. We report the crystal structure of Cascade bound to a single-stranded DNA (ssDNA) target at a resolution of 3.03 angstroms. The structure reveals that the CRISPR RNA and target strands do not form a double helix but instead adopt an underwound ribbon-like structure. This noncanonical structure is facilitated by rotation of every sixth nucleotide out of the RNA-DNA hybrid and is stabilized by the highly interlocked organization of protein subunits. These studies provide insight into both the assembly and the activity of this complex and suggest a mechanism to enforce fidelity of target binding.

  17. Probing the biological evaluations of a new designed Pt(II) complex using spectroscopic and theoretical approaches: human hemoglobin as a target.

    Science.gov (United States)

    Abazari, Omid; Shafaei, Zahra; Divsalar, Adeleh; Eslami-Moghadam, Mahbubeh; Ghalandari, Behafarid; Saboury, Ali Akbar

    2016-05-01

    In recent years, using heavy metal compounds such as platinum as anticancer agent is one of the common ways in chemical therapy. In this study, a new anticancer compound of glycine derivatives of Pt(II) complex (amyl-glycine1, 10-phenanthroline Platinum nitrate) was designed, and the biological effects of this novel compound on the alterations in the function and structure of human hemoglobin (Hb) at different temperatures of 25 and 37°C were assessed by applying various spectroscopic (fluorescence and circular dichroism (CD)) and theoretical methods. Fluorescence data indicated the strong ability of Pt(II) complex to quench the intrinsic fluorescence of Hb. The binding constant, number of binding sites, and thermodynamic parameters at two temperatures were calculated, and the results indicated the major possibility of occurring van der Waals force or hydrogen bond interactions in the Pt(II) complex-Hb interaction. For evaluating the alteration of secondary structure of Hb upon interaction with various concentrations of complex, far-UV CD spectra were used and it was observed that in high dose of complex, significant changes were occurred which is indicative of some side effects in overdosing of this complex. On the other hand, the molecular docking results illustrate that are well in agreement in obtaining data with spectroscopy. Above results suggested that using Pt(II) complex as an anticancer agent, model drug in high-dose usage might cause some disordering in structure and function of Hb as well as improve understanding of the side effects of newly designed metal anticancer drugs undergoing.

  18. Structural, DFT and biological studies on Co(II) complexes of semi and thiosemicarbazide ligands derived from diketo hydrazide

    Science.gov (United States)

    Yousef, T. A.; El-Gammal, O. A.; Ahmed, Sara F.; Abu El-Reash, G. M.

    2014-11-01

    Three ligands have been prepared by addition ethanolic suspension of 2-hydrazino-2-oxo-N-phenyl-acetamide to phenyl isocyanate (H2PAPS), phenyl isothiocyanate (H2PAPT) and benzoyl isothiocyanate (H2PABT). The Co(II) chloride complexes were prepared and characterized by conventional techniques. The isolated complexes were assigned the formulaes, [Co(HPAPS)Cl(H2O)2]H2O, [Co(HPAPT)Cl]H2O and [Co(H2PABT)Cl2], respectively. The IR spectra of complexes shows that H2PAPS behaves as a mononegative tridentate via CO of hydrazide moiety and enolized CO of hydrazide moiety and CN (azomethine) group due to enolization of CO isocyanate moiety. H2PAPT behaves as mononegative tridentate via one CO of hydrazide moiety and thiol CS and NH groups and finally H2PABT behaves as neutral tetradentate via one CO of hydrazide moiety, CO of benzoyl moiety, Cdbnd S due to enolization of the second CO of hydrazide moiety and new CN (azomethine) groups. The vibrational frequencies of the IR spectra of ligands which were determined experimentally are compared with those obtained theoretically from DFT calculations. Also, the bond lengths, bond angles, HOMO, LUMO and dipole moments have been calculated. The calculated HOMO-LUMO energy gap reveals that charge transfer occurs within the ligand molecules. The calculated values of binding energies indicates the stability of metal complexes is higher that of ligand. Also, the kinetic and thermodynamic parameters for the different thermal degradation steps of the complexes were determined by Coats-Redfern and Horowitz-Metzger methods. The antibacterial activities were also tested against Bacillus subtilis and Escherichia coli bacteria. The free ligands showed a higher antibacterial effect than their Co(II) complexes except [Co(HPAPS)Cl(H2O)2]H2O which shows higher activity than corresponding ligand. The antitumor activities of the Ligands and their Co(II) complexes have been evaluated against liver (HePG2) and breast (MCF-7) cancer cells. All ligands

  19. Study on HNS-Ⅳ Initiated by Flyer Driven by Cupric Azide%叠氮化铜驱动飞片起爆HNS-Ⅳ的研究

    Institute of Scientific and Technical Information of China (English)

    郭俊峰; 曾庆轩; 李明愉; 李兵

    2015-01-01

    针对以叠氮化铜微装药为基础的MEMS起爆传爆序列,利用数值模拟的方法研究起爆序列结构对起爆性能的影响.研究结果表明:飞片的剪切形状与文献结果相符.在装药直径一定的情况下,随着装药厚度的增加,飞片速度增加;当装药厚度为0.5mm、装药直径大于0.7mm时,增加装药直径不能进一步增加飞片速度;当叠氮化铜的尺寸为Φ0.7mm×0.5mm、加速膛长度为0.56mm时,系统能够起爆HNS-IV炸药.利用文献数据拟合得到了HNS-IV炸药的冲击起爆判据,模拟结果符合HNS-Ⅳ的冲击起爆判据.%Aimed at MEMS booster train based on micro charge involving cupric azide, numerical simulation method was utilized to study the effect of the structure of booster train on shock-initiation performance. Simulation results indicate that the shear of flyer shape is consistent with literature results. To a certain charge diameter, the flyer velocity is increased as the charge thickness increasing. While the flyer velocity cannot continue to increase with the diameter increasing, when the charge thickness is 0.5 mm and the charge diameter exceeds 0.7mm. When the charge size of cupric azide is Φ 0.7mm×0.5 mm and the length of barrel is 0.56 mm, HNS-IV explosive can be initiated by this system. The shock-initiation criterion of HNS-Ⅳ explosive fitted by literature results is determined, which is consistent with the simulation results.

  20. Synthesis, characterization, and biological properties of nano-rare earth complexes with L-glutamic acid and imidazole

    Institute of Scientific and Technical Information of China (English)

    ZHOU Meifeng; HE Qizhuang

    2008-01-01

    Four nano-rare earth ternary complexes of L-glutamic acid and imidazole RE(Glu)3ImCl3·3H2O (RE=Ce3+, Pr3+, Sm3+, Dy3+, Glu= L-glutamic acid , and Im=imidazole) were synthesized. Their composition was characterized with elemental analysis, IR, and molar conductance. The TEM image indicated that the complexes were regular shaped and the length was about 30~60 nm. The antibacterial activity test showed that all these complexes exhibited better antibacterial ability against Escherichia coli, Staphylociccus aureus, and Candida albican (MIC were about 180, 100, and 310 μg/ml, respectively) and could be considered as broad-spectral antimicrobial. Their antitumor activity in vitro against leukemia K562 cells was measured using the MTT method. The results indicate that the four complexes possess strong inhibition effect on leukemia K562 cells. An approximately linear relationship is discovered between the relative inhibition rate and concentration, with the correlation coefficients R>0.7 and P<0.05, which is considered statistically significant.

  1. Synthesis of uranyl(II), vanadyl(II) and zirconyl urate complexes, spectral, thermal and biological studies.

    Science.gov (United States)

    El-Megharbel, Samy M; El-Metwaly, Nashwa M; Refat, Moamen S

    2015-01-01

    Three urate chelations were obtained when uric acid was reacted with UO2(CH3COO)2H2O, VOSO4·XH2O and ZrOCl2·XH2O salts with neutralized with 0.1 M NaOH aqueous media. The 1:2 metal-to-ligand complexes [(UO2)2(C5H2N4O3)2](H2O), [(ZrO)2(H2O)2(C5H2N4O3)2] and [VO((C5H3N4O3)2] were characterized by elemental analyses, molar conductivity, (infrared, Raman and UV-vis) spectra, effective magnetic moment in Bohr magnetons, and thermal analysis (TG/DTG). The urate ligand coordinates as mononegative bidentate donor towards the mononuclear central vanadium atom and coordinated as binegative tetradentate mode towards the binuclear dioxouranium and zirconyl centers. The antibacterial activity of the metal complexes were tested against some kind of bacteria and fungi strains and compared with uric acid. The ligand, ZrO(II) and UO2(II) complex showed a week potential degradation on calf thymus DNA, whereas VO(II) complex slightly degraded the DNA.

  2. Synthesis, spectroscopic, DFT calculations and biological activity studies of ruthenium carbonyl complexes with 2-picolinic acid and a secondary ligand

    Science.gov (United States)

    Shohayeb, Shahera M.; Mohamed, Rania G.; Moustafa, H.; El-Medani, Samir M.

    2016-09-01

    Thermal reaction of [Ru3(CO)12] with 2-picolinic acid (Hpic) in the absence and presence of a secondary ligand (pyridine, Py, bipyridine, Bipy, or thiourea, Tu) was investigated. Four complexes with molecular formulae: [Ru(CO)3(Hpic)], 1, [Ru2(CO)5(Hpic)(Py)], 2, [Ru2(CO)5(Hpic)(Tu)], 3 and [Ru2(CO)4(Hpic)(Bipy)], 4, were isolated. All complexes were characterized based on elemental analyses, IR, 1H NMR, magnetic studies, mass spectrometry and thermal analysis. The ligand and its complexes have been screened for antibacterial activities. Density Functional Theory (DFT) calculations at the B3LYP/6-311G (d,p)_ level of theory have been carried out to investigate the equilibrium geometry of the ligands. The optimized geometry parameters of the complexes were evaluated using B3LYP method and LANL2DZ basis set. The extent of natural charge population (core, valence and rydberg), exact electronic configuration, total Lewis and total non-Lewis are estimated and discussed in terms of natural bond orbitals (NBO) analysis.

  3. Biology of the Mi-2/NuRD Complex in SLAC (Stemness, Longevity/Ageing, and Cancer).

    Science.gov (United States)

    Zhang, Yue

    2011-02-27

    The dynamic chromatin activities of Mi-2/Nucleosome Remodeling and Histone deacetylation (Mi-2/NuRD) complexes in mammals are at the basis of current research on stemness, longevity/ageing, and cancer (4-2-1/SLAC), and have been widely studied over the past decade in mammals and the elegant model organism, Caenorhabditis elegans. Interestingly, a common emergent theme from these studies is that of distinct coregulator-recruited Mi-2/NuRD complexes largely orchestrating the 4-2-1/SLAC within a unique paradigm by maintaining genome stability via DNA repair and controlling three types of transcriptional programs in concert in a number of cellular, tissue, and organism contexts. Thus, the core Mi-2/NuRD complex plays a central role in 4-2-1/SLAC. The plasticity and robustness of 4-2-1/SLAC can be interpreted as modulation of specific coregulator(s) within cell-specific, tissue-specific, stage-specific, or organism-specific niches during stress induction, ie, a functional module and its networking, thereby conferring differential responses to different environmental cues. According to "Occam's razor", a simple theory is preferable to a complex one, so this simplified notion might be useful for exploring 4-2-1/SLAC with a holistic view. This thought could also be valuable in forming strategies for future research, and could open up avenues for cancer prevention and antiageing strategies.

  4. Tubers from patients with tuberous sclerosis complex are characterized by changes in microtubule biology through ROCK2 signalling

    NARCIS (Netherlands)

    I. Ferrer (Isidro); P. Mohan (Pooja); H. Chen (Helen); J. Castellsagué (Joan); L. Gómez-Baldó (Laia); M. Carmona (Marga); N. García (Nadia); H. Aguilar (Helena); J. Jiang (John); M. Skowron (Margaretha); M.D. Nellist (Mark); I. Ampuero (Israel); A. Russi (Antonio); C. Lazaro (Conxi); C.A. Maxwell (Christopher); M.A. Pujana (Miguel)

    2014-01-01

    textabstractMost patients with tuberous sclerosis complex (TSC) develop cortical tubers that cause severe neurological disabilities. It has been suggested that defects in neuronal differentiation and/or migration underlie the appearance of tubers. However, the precise molecular alterations remain la

  5. Metal based biologically active compounds: design, synthesis, and antibacterial/antifungal/cytotoxic properties of triazole-derived Schiff bases and their oxovanadium(IV) complexes.

    Science.gov (United States)

    Chohan, Zahid H; Sumrra, Sajjad H; Youssoufi, Moulay H; Hadda, Taibi B

    2010-07-01

    A new series of oxovanadium(IV) complexes have been designed and synthesized with a new class of triazole Schiff bases derived from the reaction of 3,5-diamino-1,2,4-triazole with 2-hydroxy-1-naphthaldehyde, pyrrole-2-carboxaldehyde, pyridine-2-carboxaldehyde and acetyl pyridine-2-carboxaldehyde, respectively. Physical (magnetic susceptibility, molar conductance), spectral (IR, (1)H NMR, (13)C NMR, mass and electronic) and analytical data have established the structures of these synthesized Schiff bases and their oxovanadium(IV) complexes. The Schiff bases, predominantly act as bidentate and coordinate with the vanadium(IV) metal to give a stoichiometric ratio of 1:2 [M:L], forming a general formulae, [M(L-H)(2)] and [M(L)(2)]SO(4) where L = (L(1))-(L(4)) and M = VO(IV) of these complexes in a square-pyramidal geometry. In order to evaluate the biological activity of Schiff bases and to assess the role of vanadium(IV) metal on biological activity, the triazole Schiff bases and their oxovanadium(IV) complexes have been studied for in vitro antibacterial activity against four Gram-negative (Escherichia coli, Shigella flexenari, Pseudomonas aeruginosa, Salmonella typhi) and two Gram-positive (Staphylococcus aureus, Bacillus subtilis) bacterial strains, in vitro antifungal activity against Trichophyton longifucus, Candida albican, Aspergillus flavus, Microscopum canis, Fusarium solani and Candida glaberata. The simple Schiff bases showed weaker to significant activity against one or more bacterial and fungal strains. In most of the cases higher activity was exhibited upon coordination with vanadium(IV) metal. Brine shrimp bioassay was also carried out for in vitro cytotoxic properties against Artemia salina.

  6. Luminescent europium and terbium complexes of dipyridoquinoxaline and dipyridophenazine ligands as photosensitizing antennae: structures and biological perspectives.

    Science.gov (United States)

    Dasari, Srikanth; Patra, Ashis K

    2015-12-14

    The europium(III) and terbium(III) complexes, namely [Eu(dpq)(DMF)2(NO3)3] (1), [Eu(dppz)2(NO3)3] (2), [Tb(dpq)(DMF)2Cl3] (3), and [Tb(dppz)(DMF)2Cl3] (4), where dipyrido[3,2-d:2',3'-f]quinoxaline (dpq in 1 and 3), dipyrido[3,2-a:2',3'-c]phenazine (dppz in 2 and 4) and N,N'-dimethylformamide (DMF) have been isolated, characterized from their physicochemical data, luminescence studies and their interaction with DNA, serum albumin protein and photo-induced DNA cleavage activity are studied. The X-ray crystal structures of complexes 1-4 show discrete mononuclear Ln(3+)-based structures. The Eu(3+) in [Eu(dpq)(DMF)2(NO3)3] (1) and [Eu(dppz)2(NO3)3] (2) as [Eu(dppz)2(NO3)3]·dppz (2a) adopts a ten-coordinated bicapped dodecahedron structure with a bidentate N,N-donor dpq ligand, two DMF and three NO3(-) anions in 1 and two bidentate N,N-donor dppz ligands and three NO3(-) anions in 2. Complexes 3 and 4 show a seven-coordinated mono-capped octahedron structure where Tb(3+) contains bidentate dpq/dppz ligands, two DMF and three Cl(-) anions. The complexes are highly luminescent in nature indicating efficient photo-excited energy transfer from the dpq/dppz antenna to Ln(3+) to generate long-lived emissive excited states for characteristic f → f transitions. The time-resolved luminescence spectra of complexes 1-4 show typical narrow emission bands attributed to the (5)D0 → (7)F(J) and (5)D4 → (7)F(J) f-f transitions of Eu(3+) and Tb(3+) ions respectively. The number of inner-sphere water molecules (q) was determined from luminescence lifetime measurements in H2O and D2O confirming ligand-exchange reactions with water in solution. The complexes display significant binding propensity to the CT-DNA giving binding constant values in the range of 1.0 × 10(4)-6.1 × 10(4) M(-1) in the order 2, 4 (dppz) > 1, 3 (dpq). DNA binding data suggest DNA groove binding with the partial intercalation nature of the complexes. All the complexes also show binding propensity (K(BSA)

  7. Overview of the taxonomy and of the major secondary metabolites and their biological activities related to human health of the Laurencia complex (Ceramiales, Rhodophyta from Brazil

    Directory of Open Access Journals (Sweden)

    Mutue T. Fujii

    2011-04-01

    Full Text Available In Brazil, the Laurencia complex is represented by twenty taxa: Laurencia s.s. with twelve species, Palisada with four species (including Chondrophycus furcatus now that the proposal of its transference to Palisada is in process, and Osmundea and Yuzurua with two species each. The majority of the Brazilian species of the Laurencia complex have been phylogenetically analyzed by 54 rbcL sequences, including five other Rhodomelacean species as outgroups. The analysis showed that the Laurencia complex is monophyletic with high posterior probability value. The complex was separated into five clades, corresponding to the genera: Chondrophycus, Laurencia, Osmundea, Palisada, and Yuzurua. A bibliographical survey of the terpenoids produced by Brazilian species showed that only six species of Laurencia and five of Palisada (including C. furcatcus have been submitted to chemical analysis with 48 terpenoids (47 sesquiterpenes and one triterpene isolated. No diterpenes were found. Of the total, 23 sesquiterpenes belong to the bisabolane class and eighteen to the chamigrene type, whose biochemical precursor is bisabolane, two are derived from lauranes and four are triquinols. Despite the considerable number of known terpenes and their ecological and pharmacological importance, few experimental biological studies have been performed. In this review, only bioactivities related to human health were considered.

  8. Non-covalent conjugation of CdTe QDs with lysozyme binding DNA for fluorescent sensing of lysozyme in complex biological sample.

    Science.gov (United States)

    Li, Shujia; Gao, Zhidan; Shao, Na

    2014-11-01

    Water-soluble cysteamine (CA) capped CdTe quantum dots (QDs) conjugated with lysozyme binding DNA (LBD) was constructed for luminescent sensing of lysozyme by forming a ternary self-assembly complex. Addition of negatively charged lysozyme binding DNA to the positively charged CA capped CdTe QDs buffer solution (Tris-HCl pH 7.4) could lead to the formation of QDs-LBD complex through electrostatic interactions. Once lysozyme was introduced into the CdTe QDs-LBD system, it could bind specifically with the QDs-LBD complex, resulting in fluorescence emission enhancement of the QDs due to the surface inert of QDs. At a given amount of LBD and CdTe QDs (LBD: QDs=2: 1), the fluorescence intensity enhancement of QDs was linear with lysozyme concentration over the range of 8.9-71.2 nM, with a detection limit of 4.3 nM. Due to the specific binding of LBD with lysozyme, this approach displayed high selectivity for lysozyme recognition. The sensing mechanism was confirmed by DLS and zeta potential measurement, and agarose gel electrophoresis experiment. Furthermore, the proposed CA-capped CdTe QDs-LBD sensor was applied to lysozyme detection in mouse serum and human morning urine samples, which showed high sensitivity and selectivity in the complex biological sample.

  9. Metal complexes of Schiff base derived from sulphametrole and o-vanilin . Synthesis, spectral, thermal characterization and biological activity

    Science.gov (United States)

    Mohamed, Gehad G.; Sharaby, Carmen M.

    2007-04-01

    Metal complexes of Schiff base derived from condensation of o-vanilin (3-methoxysalicylaldehyde) and sulfametrole [ N1-(4-methoxy-1,2,5-thiadiazole-3-yl)sulfanilamide] (H 2L) are reported and characterized based on elemental analyses, IR, 1H NMR, solid reflectance, magnetic moment, molar conductance, mass spectra, UV-vis and thermal analysis (TGA). From the elemental analyses data, the complexes were proposed to have the general formulae [M 2X 3(HL)(H 2O) 5]· yH 2O (where M = Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II), X = Cl, y = 0-3); [Fe 2Cl 5(HL)(H 2O) 3]·2H 2O; [(FeSO 4) 2(H 2L)(H 2O) 4] and [(UO 2) 2(NO 3) 3(HL)(H 2O)]·2H 2O. The molar conductance data reveal that all the metal chelates were non-electrolytes. The IR spectra show that, H 2L is coordinated to the metal ions in a tetradentate manner with ON and NO donor sites of the azomethine-N, phenolic-OH, enolic sulphonamide-OH and thiadiazole-N. From the magnetic and solid reflectance spectra, it is found that the geometrical structures of these complexes are octahedral. The thermal behaviour of these chelates shows that the hydrated complexes losses water molecules of hydration in the first step followed immediately by decomposition of the anions and ligand molecules in the subsequent steps. The activation thermodynamic parameters, such as, E*, Δ H*, Δ S* and Δ G* are calculated from the DrTG curves using Coats-Redfern method. The synthesized ligand, in comparison to their metal complexes also were screened for their antibacterial activity against bacterial species, Escherichia coli, Salmonella typhi, Bacillus subtillus, Staphylococcus aureus and Fungi ( Aspergillus terreus and Aspergillus flavus). The activity data show that the metal complexes to be more potent/antimicrobial than the parent Shciff base ligand against one or more microbial species.

  10. Biological evaluation of {sup 153}Sm and {sup 166}Ho complexes with tetraazamacrocycles containing methylcarboxylate and/or methylphosphonate pendant arms

    Energy Technology Data Exchange (ETDEWEB)

    Marques, F.; Gano, L.; Campello, M.P.; Lacerda, S.; Santos, I. [Inst. Tecnologico e Nuclear, Sacavem (Portugal)

    2007-07-01

    {sup 153}Sm and {sup 166}Ho complexes with two series of tetraazamacrocyclic ligands containing methylcarboxylate and/or methylphosphonate pendant arms were synthesized and their charge, lipophilicity, protein binding and in vitro and in vivo behaviour evaluated. The first series has the same backbone, a 14-membered tetraazamacrocycle containing a pyridine unit with different pendant arms, namely methylcarboxylates (ac{sub 3}py14) or methylphosphonates (MeP{sub 2}py14 and P{sub 3}py14). The second series comprises 12- to 14-membered tetraazamacrocycles having methylcarboxylates and/or methylphosphonates as pendant arms (trans-DO2A2P, TRITA, TRITP, TETA and TETP). The {sup 153}Sm/{sup 166}Ho complexes with the 14-membered tetraazamacrocycles containing the pyridine unit are neutral, hydrophilic, have a significant plasmatic protein binding, are unstable in vivo and present a slow rate of radioactivity excretion and high hepatic retention. {sup 153}Sm/{sup 166}Ho complexes with the 12- to 14-membered tetraazamacrocycles are quantitatively prepared, except those with TETP. These complexes are hydrophilic, have an overall negative charge and present a medium to low plasmatic protein binding. The {sup 153}Sm/{sup 166}Ho-trans-DO2A2P, {sup 153}Sm/{sup 166}Ho-TRITA and {sup 166}Ho-TRITP complexes are stable in vitro and in vivo, presenting a rapid clearance from main organs and a high rate of whole body radioactivity excretion. Biological profile of {sup 153}Sm/{sup 166}Ho-TRITA complexes makes them promising candidates for therapy when conjugated to a biomolecule, while {sup 166}Ho-TRITP is potentially useful for bone targeting due to its considerable uptake by bone. (orig.)

  11. Speciation analysis of aluminium(III) in natural waters and biological fluids by complexing with various catechols followed by differential pulse voltammetry detection.

    Science.gov (United States)

    Liu, Jian; Bi, Shuping; Yang, Li; Gu, Xiaodong; Ma, Pengju; Gan, Ning; Wang, Xianlong; Long, Xiufeng; Zhang, Fuping

    2002-12-01

    The biological effects of aluminium have received much attention in recent years. Speciation of Al is of basic relevance as it concerns its reactivity and bioavailability. A differential pulse voltammetry (DPV) procedure is proposed for speciation analysis of Al(III) in natural waters and biological fluids using six catechols (L-dopa, dopamine, epinephrine, norepinephrine, caffeic acid and o-benzenediol) as electroactive ligands. The decrease of the DPV anodic peak current for each catechol ligand is linear with the increase of Al concentration. This speciation analysis idea is based on the measurement of the complexation capacity, namely, different affinities of Al(III) for catechols and organic ligands under two pH conditions. The labile monomeric Al fraction (mainly inorganic aluminium) is determined at pH 4.6, while the total monomeric Al fraction is determined at pH 8.5. The principle for Al(III) speciation analysis by an electrochemical method is discussed. This sensitive and simple fractionation method is successfully applied to the speciation analysis of Al in natural waters and the results agree well with those of Driscoll's method. The speciation analysis of Al in biological fluids is also explored and the results are compared with those obtained by ultrafiltration and dialysis. Compared with other speciation protocols the electrochemical method possesses some remarkable advantages: rapidity, high sensitivity, cheap instrumentation and a simple operation procedure.

  12. A modified Wright-Fisher model that incorporates Ne: A variant of the standard model with increased biological realism and reduced computational complexity.

    Science.gov (United States)

    Zhao, Lei; Gossmann, Toni I; Waxman, David

    2016-03-21

    The Wright-Fisher model is an important model in evolutionary biology and population genetics. It has been applied in numerous analyses of finite populations with discrete generations. It is recognised that real populations can behave, in some key aspects, as though their size that is not the census size, N, but rather a smaller size, namely the effective population size, Ne. However, in the Wright-Fisher model, there is no distinction between the effective and census population sizes. Equivalently, we can say that in this model, Ne coincides with N. The Wright-Fisher model therefore lacks an important aspect of biological realism. Here, we present a method that allows Ne to be directly incorporated into the Wright-Fisher model. The modified model involves matrices whose size is determined by Ne. Thus apart from increased biological realism, the modified model also has reduced computational complexity, particularly so when Ne⪡N. For complex problems, it may be hard or impossible to numerically analyse the most commonly-used approximation of the Wright-Fisher model that incorporates Ne, namely the diffusion approximation. An alternative approach is simulation. However, the simulations need to be sufficiently detailed that they yield an effective size that is different to the census size. Simulations may also be time consuming and have attendant statistical errors. The method presented in this work may then be the only alternative to simulations, when Ne differs from N. We illustrate the straightforward application of the method to some problems involving allele fixation and the determination of the equilibrium site frequency spectrum. We then apply the method to the problem of fixation when three alleles are segregating in a population. This latter problem is significantly more complex than a two allele problem and since the diffusion equation cannot be numerically solved, the only other way Ne can be incorporated into the analysis is by simulation. We have

  13. Preparation and chemical and biological characterization of a pectin/chitosan polyelectrolyte complex scaffold for possible bone tissue engineering applications.

    Science.gov (United States)

    Coimbra, P; Ferreira, P; de Sousa, H C; Batista, P; Rodrigues, M A; Correia, I J; Gil, M H

    2011-01-01

    In this work, porous scaffolds obtained from the freeze-drying of pectin/chitosan polyelectrolyte complexes were prepared and characterized by FTIR, SEM and weight loss studies. Additionally, the cytotoxicity of the prepared scaffolds was evaluated in vitro, using human osteoblast cells. The results obtained showed that cells adhered to scaffolds and proliferated. The study also confirmed that the degradation by-products of pectin/chitosan scaffold are noncytotoxic.

  14. Synthesis, Structural Characterization and Biological Activity of Novel Cyclohexane-1,3-dione Ligands and Their Metal Complexes

    Directory of Open Access Journals (Sweden)

    Nevin Turan

    2015-05-01

    Full Text Available Some new Zn(II and Cu(II complexes [Cu(L1(OAc2]∙H2O, [Cu(L1(NO3H2O]∙NO3∙3.5H2O, [Zn(L1(NO32]∙4.5H2O, [Zn(L1(OAc2(H2O2]∙3H2O, [Cu2(L2(OAc4]∙2H2O∙2DMF, [Cu(L22]∙2NO3∙1.5DMF∙H2O, [Zn(L22(NO32]∙DMF and [Zn2(L2(OAc4(H2O4]∙5H2O; L1 = 2-[2-(2-methoxyphenylhydrazono]cyclohexane-1,3-dione and L2 = 2-[2-(3-nitrophenylhydrazono]cyclohexane-1,3-dione were synthesized and characterized by IR, 1H-NMR,13C-NMR and ultraviolet (UV-Vis. spectroscopy, elemental analysis, magnetic susceptibility, mass spectrometry and thermogravimetry-differential thermal analysis (TGA-DTA. The synthesized ligands and their complexes were tested for antibacterial activity against Escherichia coli ATCC 25922, Enterococcus faecalis ATCC 29212, Staphylococcus aureus ATCC 25923, and Salmonella typhimurium CCM 583. Some of complexes showed medium-level antibacterial activity against the test bacteria compared with ampicillin.

  15. Synthetic, structural and biological studies of organosilicon(IV complexes of Schiff bases derived from pyrrole-2-carboxaldehyde

    Directory of Open Access Journals (Sweden)

    KIRAN SING

    2010-07-01

    Full Text Available Selected new organosilicon(IV complexes having the general formula R2SiCl[L] and R2Si[L] 2 were synthesized by the reactions of Me2SiCl2 with Schiff bases (5-mercapto-4-[(1H-pyrrol-2ylmethyleneamino]-s-triazole, 5-mercapto-3-methyl-4-[(1H-pyrrol-2ylmethyleneamino]-s-triazole and 3-ethyl-5-mercapto-4-[(1H-pyrrol-2ylmethyleneamino]-s-triazole in 1:1 and 1:2 molar ratios. All of the compounds were characterized by elemental analysis, molar conductance, and IR, UV, 1H-, 13C- and 29Si-NMR spectral studies. All the spectral data suggest an involvement with an azomethine nitrogen in coordination to the central silicon atom. With the help of above-mentioned spectral studies, penta and hexacoordinated environments around the central silicon atoms in the 1:1 and 1:2 complexes, respectively, are proposed. Finally, the free ligands and their metal complexes were tested in vitro against some pathogenic bacteria and fungi to assess their antimicrobial properties.

  16. New tridentate azo-azomethines and their copper(II) complexes: Synthesis, solvent effect on tautomerism, electrochemical and biological studies

    Science.gov (United States)

    Sarigul, Munire; Deveci, Pervin; Kose, Muhammet; Arslan, Ugur; Türk Dagi, Hatice; Kurtoglu, Mukerrem

    2015-09-01

    In this study, three azo-azomethines and their copper(II) complexes were prepared and characterized by analytical and spectroscopic methods. The complexes prepared were found to be mononuclear and the chelation of the ligands to the copper(II) ions occurs through two phenolic oxygens and a nitrogen atom of the azomethine group of the ligand. The tautomeric behaviors of the azo-azomethines in solution were studied by UV-Vis. spectra in three organic solvents with different polarity (CHCl3, DMSO and DMF) at room temperature. The redox behaviors of the azo-azomethines and their Cu(II) complexes were investigated by cyclic voltammetry (CV) in DMSO solution containing 0.1 M tetrabutylammonium tetrafluoroborate (TBATFB) as supporting electrolyte. Additionally, the antibacterial activity was also evaluated by the broth microdilution methods against Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa. The compounds were found to be less effective against all bacteria tested than two reference antibiotics (ampicillin and gentamicin).

  17. A new platinum complex with tryptophan: synthesis, structural characterization, DFT studies and biological assays in vitro over human tumorigenic cells.

    Science.gov (United States)

    Carvalho, Marcos A; Shishido, Silvia M; Souza, Bárbara C; de Paiva, Raphael E F; Gomes, Alexandre F; Gozzo, Fábio C; Formiga, André L B; Corbi, Pedro P

    2014-03-25

    A new platinum(II) complex with the amino acid L-tryptophan (trp), named Pt-trp, was synthesized and characterized. Elemental, thermogravimetric and ESI-QTOF mass spectrometric analyses led to the composition [Pt(C11H11N2O2)2]⋅6H2O. Infrared spectroscopic data indicate the coordination of trp to Pt(II) through the oxygen of the carboxylate group and also through the nitrogen atom of the amino group. The (13)C CP/MAS NMR spectroscopic data confirm coordination through the oxygen atom of the carboxylate group, while the (15)N CP/MAS NMR data confirm coordination of the nitrogen of the NH2 group to the metal. Density functional theory (DFT) studies were applied to evaluate the cis and trans coordination modes of trp to platinum(II). The trans isomer was shown to be energetically more stable than the cis one. The Pt-trp complex was evaluated as a cytotoxic agent against SK-Mel 103 (human melanoma) and Panc-1 (human pancreatic carcinoma) cell lines. The complex was shown to be cytotoxic over the considered cells.

  18. Fast cleavage of a diselenide induced by a platinum(II)-methionine complex and its biological implications.

    Science.gov (United States)

    Liu, Qin; Wang, Xiaoyong; Yang, Xiaoliang; Liang, Xiao; Guo, Zijian

    2010-11-01

    Platinum-based anticancer drugs such as cisplatin induce increased oxidative stress and oxidative damage of DNA and other cellular components, while selenium plays an important role in the antioxidant defense system. In this study, the interaction between a platinum(II) methionine (Met) complex [Pt(Met)Cl(2)] and a diselenide compound selenocystine [(Sec)(2)] was studied by electrospray ionization mass spectrometry, high performance liquid chromatography mass spectrometry, and (1)H NMR spectroscopy. The results demonstrate that the diselenide bond in (Sec)(2) can readily and quickly be cleaved by the platinum complex. Formation of the selenocysteine (Sec) bridged dinuclear complex [Pt(2)(Met-S,N)(2)(μ-Sec-Se,Cl)](3+) and Sec chelated species [Pt(Met-S,N)(Sec-Se,N)](2+) was identified at neutral and acidic media, which seems to result from the intermediate [Pt(Met-S,N)(Sec-Se)Cl](+). An accelerated formation of S-Se and S-S bonds was also observed when (Sec)(2) reacted with excessive glutathione in the presence of [Pt(Met)Cl(2)]. These results imply that the mechanism of activity and toxicity of platinum drugs may be related to their fast reaction with seleno-containing biomolecules, and the chemoprotective property of selenium agents against cisplatin-induced toxicity could also be connected with such reactions.

  19. Novel Nonsymmetrically p-Benzyl-Substituted (Benzimidazole N-Heterocyclic Carbene-Silver(I Acetate Complexes: Synthesis and Biological Evaluation

    Directory of Open Access Journals (Sweden)

    Frauke Hackenberg

    2012-01-01

    Full Text Available Nonsymmetrically substituted N-heterocyclic carbene (NHC precursors 1a–d and 3a–d were synthesised by first reacting 1H-(benzimidazole with p-cyanobenzyl bromide to give 4-(1H-imidazole-1-ylmethylbenzonitrile (1 and 4-(1H-benzimidazole-1-ylmethylbenzonitrile (3 and afterwards introducing benzyl bromide, 1-(bromomethyl-4-methylbenzene, 1-(bromomethyl-4-methoxybenzene, and methyl 4-(bromomethylbenzoate. The NHC-silver(I acetate complexes (1-benzyl-3-(4-cyanobenzyl-2,3-dihydro-1H-imidazole-2-ylidene silver(I acetate (2a, (1-(4-cyanobenzyl-3-(4-methylbenzyl-2,3-dihydro-1H-imidazole-2-ylidene silver(I acetate (2b, (1-(4-cyanobenzyl-3-[4-(methoxycarbonylbenzyl]-2,3-dihydro-1H-imidazole-2-ylidene silver(I acetate (2c, (1-benzyl-3-(4-cyanobenzyl-2,3-dihydro-1H-benzimidazole-2-ylidene silver(I acetate (4a, (1-(4-cyanobenzyl-3-(4-methylbenzyl-2,3-dihydro-1H-benzimidazole-2-ylidene silver(I acetate (4b, (1-(4-cyanobenzyl-3-(4-methoxybenzyl-2,3-dihydro-1H-benzimidazole-2-ylidene silver(I acetate (4c, and (1-(4-cyanobenzyl-3-[4-(methoxycarbonylbenzyl]-2,3-dihydro-1H-benzimidazole-2-ylidene silver(I acetate (4d were yielded by reacting these NHC precursors with silver(I acetate. The silver(I acetate complex 4b was characterised by single crystal X-ray diffraction. Preliminary in vitro antibacterial studies against the Gram-positive bacteria Staphylococcus aureus and the Gram-negative bacteria Escherichia coli, using the Kirby-Bauer disc diffusion method, were carried out on the seven NHC-silver(I acetate complexes 2a–c and 4a–d. Also the IC50 values of these seven complexes were determined by an MTT-based assay against the human renal cancer cell line Caki-1. The complexes 2a–c and 4a–c revealed the following IC50 values, respectively, 25 (±1, 15 (±2, 5.4 (±0.8, 16 (±2, 7.1 (±1, 20 (±4, and 14 (±1 μM.

  20. Polyethylene glycol grafted flower-like cupric nano oxide for the hollow-fiber solid-phase microextraction of hexaconazole, penconazole, and diniconazole in vegetable samples.

    Science.gov (United States)

    Zendegi-Shiraz, Amene; Sarafraz-Yazdi, Ali; Es'haghi, Zarrin

    2016-08-01

    A simple, rapid, highly efficient, and reliable sample preparation method has been developed for the extraction and analysis of triazole pesticides from cucumber, lettuce, bell pepper, cabbage, and tomato samples. This new sorbent in the hollow-fiber solid-phase microextraction method is based on the synthesis of polyethylene glycol-polyethylene glycol grafted flower-like cupric oxide nanoparticles using sol-gel technology. Afterward, the analytes were analyzed by high-performance liquid chromatography with ultraviolet detection. The main parameters that affect microextraction efficiency were evaluated and optimized. This method has afforded good linearity ranges (0.5-50 000 ng/mL for hexaconazol, 0.012-50 000 ng/mL for penconazol, and 0.02-50 000 ng/mL for diniconazol), adequate precision (2.9-6.17%, n = 3), batch-to-batch reproducibility (4.33-8.12%), and low instrumental LODs between 0.003 and 0.097 ng/mL (n = 8). Recoveries and enrichment factors were 85.46-97.47 and 751-1312%, respectively.

  1. Long-term effects of cupric oxide nanoparticles (CuO NPs) on the performance, microbial community and enzymatic activity of activated sludge in a sequencing batch reactor.

    Science.gov (United States)

    Wang, Sen; Li, Zhiwei; Gao, Mengchun; She, Zonglian; Ma, Bingrui; Guo, Liang; Zheng, Dong; Zhao, Yangguo; Jin, Chunji; Wang, Xuejiao; Gao, Feng

    2017-02-01

    The long-term effects of cupric oxide nanoparticles (CuO NPs) on the performance, microbial activity and microbial community of activated sludge were investigated in a sequencing batch reactor (SBR). The SBR performance had no evident change at 0-10 mg/L CuO NPs, whereas the CuO NPs concentration at 30-60 mg/L affected the COD, NH4(+)-N and soluble orthophosphate (SOP) removal, nitrogen and phosphorus removal rate and microbial enzymatic activity of activated sludge. Some CuO NPs might be absorbed on the surface of activated sludge or penetrate the microbial cytomembrane into the microbial cell interior of activated sludge. Compared to 0 mg/L CuO NPs, the reactive oxygen species (ROS) production and lactate dehydrogenase (LDH) release increased by 43.6% and 56.4% at 60 mg/L CuO NPs, respectively. The variations of ROS production and LDH release demonstrated that CuO NPs could induce the toxicity towards the microorganisms and destroy the integrity of microbial cytomembrane in the activated sludge. High throughput sequencing of 16S rDNA indicated that CuO NPs could evidently impact on the microbial richness, diversity and composition of activated sludge in the SBR.

  2. Biological oxygen sensing via two-photon absorption by an Ir(III) complex using a femtosecond fiber laser

    Science.gov (United States)

    Moritomo, Hiroki; Fujii, Akinari; Suzuki, Yasutaka; Yoshihara, Toshitada; Tobita, Seiji; Kawamata, Jun

    2016-09-01

    Near-infrared two-photon absorption of the phosphorescent Ir(III) complex (2,4-pentanedionato-κO 2,κO 4)bis[2-(6-phenanthridinyl-κN)benzo[b]thien-3-yl-κC]iridium (BTPHSA) was characterized. It exhibited a 800-1200 nm two-photon absorption band, and thus could be electronically excited by 1030-nm femtosecond Ti:sapphire and Yb-doped fiber lasers. By using BTPHSA, oxygen concentrations in human embryonic kidney 293 (HEK293) cells were imaged. These results demonstrate two-photon oxygen sensing of live tissues via easily operable excitation sources.

  3. Co-ordination of a new bis-terpyridine ligand with cupric perchlorate yielding a dinuclear M 2L species

    Science.gov (United States)

    Knight, James C.; Prabaharan, Ravi; Edwards, Peter G.; Amoroso, Angelo J.

    2011-03-01

    We report the synthesis of a new bis-terpyridine ligand which could potentially yield a variety of polynuclear complexes. An investigation of the co-ordination chemistry of this ligand with Cu(II) ions in a 1:1 ratio yielded a complex with a 2:1 ratio of Cu to ligand. The crystal structure of the dinuclear copper(II) complex shows the two equivalent copper cations are co-ordinated via five donor atoms in a highly distorted square pyramidal arrangement. The structure was solved in a monoclinic space group C2/c with cell parameters, a = 21.340(5), b = 14.004(5), c = 18.368(5) Å, α = 90°, β = 106.575(5)°, γ = 90°, volume = 5261(3) Å 3, Z = 4.

  4. Structure of a prereaction complex between the nerve agent sarin, its biological target acetylcholinesterase, and the antidote HI-6.

    Science.gov (United States)

    Allgardsson, Anders; Berg, Lotta; Akfur, Christine; Hörnberg, Andreas; Worek, Franz; Linusson, Anna; Ekström, Fredrik J

    2016-05-17

    Organophosphorus nerve agents interfere with cholinergic signaling by covalently binding to the active site of the enzyme acetylcholinesterase (AChE). This inhibition causes an accumulation of the neurotransmitter acetylcholine, potentially leading to overstimulation of the nervous system and death. Current treatments include the use of antidotes that promote the release of functional AChE by an unknown reactivation mechanism. We have used diffusion trap cryocrystallography and density functional theory (DFT) calculations to determine and analyze prereaction conformers of the nerve agent antidote HI-6 in complex with Mus musculus AChE covalently inhibited by the nerve agent sarin. These analyses reveal previously unknown conformations of the system and suggest that the cleavage of the covalent enzyme-sarin bond is preceded by a conformational change in the sarin adduct itself. Together with data from the reactivation kinetics, this alternate conformation suggests a key interaction between Glu202 and the O-isopropyl moiety of sarin. Moreover, solvent kinetic isotope effect experiments using deuterium oxide reveal that the reactivation mechanism features an isotope-sensitive step. These findings provide insights into the reactivation mechanism and provide a starting point for the development of improved antidotes. The work also illustrates how DFT calculations can guide the interpretation, analysis, and validation of crystallographic data for challenging reactive systems with complex conformational dynamics.

  5. Reprint of: Application of micro-thin-layer chromatography as a simple fractionation tool for fast screening of raw extracts derived from complex biological, pharmaceutical and environmental samples

    Energy Technology Data Exchange (ETDEWEB)

    Zarzycki, Pawel K., E-mail: pawel_k_z@hotmail.com [Section of Toxicology and Bioanalytics, Department of Civil and Environmental Engineering, Koszalin University of Technology, Sniadeckich 2, 75-453 Koszalin (Poland); Slaczka, Magdalena M.; Zarzycka, Magdalena B.; Wlodarczyk, Elzbieta; Baran, Michal J. [Section of Toxicology and Bioanalytics, Department of Civil and Environmental Engineering, Koszalin University of Technology, Sniadeckich 2, 75-453 Koszalin (Poland)

    2012-02-24

    The main goal of present paper is to demonstrate the separation and detection capability of micro-TLC technique involving simple one step liquid extraction protocols of complex materials without multi-steps sample pre-purification. In the present studies target components (cyanobacteria pigments, lipids and fullerenes) were isolated from heavy loading complex matrices including spirulina dried cells, birds' feathers and fatty oils as well as soot samples derived from biomass fuel and fossils-fired home heating systems. In each case isocratic separation protocol involving less that 1 mL of one component or binary mixture mobile phases can be completed within time of 5-8 min. Sensitive detection of components of interest was performed via fluorescence or staining techniques using iodine or phosphomolybdic acid. Described methodology can be applied for fast fractionation or screening of whole range of target substances as well as chemo-taxonomic studies and fingerprinting of complex mixtures, which are present in raw biological or environmental samples.

  6. Application of micro-thin-layer chromatography as a simple fractionation tool for fast screening of raw extracts derived from complex biological, pharmaceutical and environmental samples

    Energy Technology Data Exchange (ETDEWEB)

    Zarzycki, Pawel K., E-mail: pawel_k_z@hotmail.com [Section of Toxicology and Bioanalytics, Department of Civil and Environmental Engineering, Koszalin University of Technology, Sniadeckich 2, 75-453 Koszalin (Poland); Slaczka, Magdalena M.; Zarzycka, Magdalena B.; Wlodarczyk, Elzbieta; Baran, Michal J. [Section of Toxicology and Bioanalytics, Department of Civil and Environmental Engineering, Koszalin University of Technology, Sniadeckich 2, 75-453 Koszalin (Poland)

    2011-03-04

    The main goal of present paper is to demonstrate the separation and detection capability of micro-TLC technique involving simple one step liquid extraction protocols of complex materials without multi-steps sample pre-purification. In the present studies target components (cyanobacteria pigments, lipids and fullerenes) were isolated from heavy loading complex matrices including spirulina dried cells, birds' feathers and fatty oils as well as soot samples derived from biomass fuel and fossils-fired home heating systems. In each case isocratic separation protocol involving less that 1 mL of one component or binary mixture mobile phases can be completed within time of 5-8 min. Sensitive detection of components of interest was performed via fluorescence or staining techniques using iodine or phosphomolybdic acid. Described methodology can be applied for fast fractionation or screening of whole range of target substances as well as chemo-taxonomic studies and fingerprinting of complex mixtures, which are present in raw biological or environmental samples.

  7. Using Vitek MALDI-TOF mass spectrometry to identify species belonging to the Acinetobacter calcoaceticus-Acinetobacter baumannii complex: a relevant alternative to molecular biology?

    Science.gov (United States)

    Pailhoriès, Hélène; Daure, Sophie; Eveillard, Matthieu; Joly-Guillou, Marie-Laure; Kempf, Marie

    2015-10-01

    Acinetobacter baumannii belongs to the Acinetobacter calcoaceticus-baumannii complex (Acb) containing 2 other pathogenic species: Acinetobacter pittii and Acinetobacter nosocomialis. Identification of these bacteria remains problematic despite the use of matrix-assisted laser ionization time-of-flight mass spectrometry (MALDI-TOF MS). Here, we enriched the SARAMIS™ database of the Vitek MS® plus mass spectrometer to improve the identification of species of the Acb complex. For each species, we incremented reference spectra. Then, a SuperSpectrum was created based on the selection of 40 specific masses. In a second step, we validated reference spectra and SuperSpectra with 100 isolates identified by rpoB gene sequencing. All the isolates were correctly identified by MALDI-TOF MS with the database we created as compared to the identifications obtained by rpoB sequencing. Our database enabled rapid and reliable identification of the pathogen species belonging to the Acb complex. Identification by MALDI-TOF MS with our database is a good alternative to molecular biology.

  8. Systems Biology Approach to the Dissection of the Complexity of Regulatory Networks in the S. scrofa Cardiocirculatory System

    Directory of Open Access Journals (Sweden)

    Paolo Martini

    2013-11-01

    Full Text Available Genome-wide experiments are routinely used to increase the understanding of the biological processes involved in the development and maintenance of a variety of pathologies. Although the technical feasibility of this type of experiment has improved in recent years, data analysis remains challenging. In this context, gene set analysis has emerged as a fundamental tool for the interpretation of the results. Here, we review strategies used in the gene set approach, and using datasets for the pig cardiocirculatory system as a case study, we demonstrate how the use of a combination of these strategies can enhance the interpretation of results. Gene set analyses are able to distinguish vessels from the heart and arteries from veins in a manner that is consistent with the different cellular composition of smooth muscle cells. By integrating microRNA elements in the regulatory circuits identified, we find that vessel specificity is maintained through specific miRNAs, such as miR-133a and miR-143, which show anti-correlated expression with their mRNA targets.

  9. The first water-soluble hexarhenium cluster complexes with a heterocyclic ligand environment: synthesis, luminescence, and biological properties.

    Science.gov (United States)

    Shestopalov, Michael A; Zubareva, Kristina E; Khripko, Olga P; Khripko, Yuri I; Solovieva, Anastasiya O; Kuratieva, Natalia V; Mironov, Yuri V; Kitamura, Noboru; Fedorov, Vladimir E; Brylev, Konstantin A

    2014-09-02

    The hexarhenium cluster complexes with benzotriazolate apical ligands [{Re6(μ3-Q)8}(BTA)6](4-) (Q = S, Se; BTA = benzotriazolate ion) were obtained by the reaction of [{Re6(μ3-Q)8}(OH)6](4-) with molten 1H-BTA (1H-benzotriazole). The clusters were crystallized as potassium salts and characterized by X-ray single-crystal diffraction, elemental analyses, and UV-vis and luminescence spectroscopy. In addition, their cellular uptake and toxicity were evaluated. It was found that both clusters exhibited luminescence with high lifetimes and quantum yield values; they were taken up by the cells illuminating them under UV irradiation and, at the same time, did not exhibit acute cytotoxic effects.

  10. Synthesis and characterisation of estrogenic carriers for cytotoxic Pt(II) fragments: biological activity of the resulting complexes.

    Science.gov (United States)

    Gabano, Elisabetta; Cassino, Claudio; Bonetti, Samuele; Prandi, Cristina; Colangelo, Donato; Ghiglia, Annalisa; Osella, Domenico

    2005-10-07

    This paper describes the synthesis and the spectroscopic characterisation of cis-dichloro[N-(4-(17alpha-ethynylestradiolyl)-benzyl)-ethylenediamine]platinum(II) and cis-diamino[2-(4-(17alpha-ethynylestradiolyl)-benzoylamino)-malonato]platinum(II). These complexes were synthesised in good yield according to multi-step procedures based on the classical and non-classical Sonogashira coupling reaction, respectively. These compounds retain an acceptable degree of relative binding affinity (RBA) for the alpha form of estrogen receptor. Combined treatment of breast cancer cell lines, namely hormone-sensitive MCF-7 and hormone-insensitive MDA-MB-231 cell lines, indicates that these compounds maintain agonistic activity so that the potential advantage in vehiculation of the cytotoxic moiety by means of the receptor system is counteracted by the proliferative effect of the estrogenic component of the entire molecule, especially at low concentrations.

  11. trans-Platinum(II) complex of 3-aminoflavone - synthesis, X-ray crystal structure and biological activities in vitro.

    Science.gov (United States)

    Fabijańska, Małgorzata; Studzian, Kazimierz; Szmigiero, Leszek; Rybarczyk-Pirek, Agnieszka J; Pfitzner, Arno; Cebula-Obrzut, Barbara; Smolewski, Piotr; Zyner, Elżbieta; Ochocki, Justyn

    2015-01-21

    This paper describes the synthesis of trans-bis-(3-aminoflavone)dichloridoplatinum(ii) (trans-Pt(3-af)2Cl2; TCAP) for use as a potential anticancer compound, and the evaluation of its structure by elemental and spectral analyses, and X-ray crystallography. The complex demonstrated a significant cytotoxic effect against human and murine cancer cell lines, as well as weaker toxicity towards healthy cells (human peripheral blood lymphocytes) in comparison with cisplatin. Various biochemical and morphological methods confirm that the proapoptotic activity of trans-Pt(3-af)2Cl2 is markedly higher than the reference cisplatin. Our results suggest that trans-Pt(3-af)2Cl2 may have a different antitumour specificity from that of cisplatin.

  12. Synthesis, spectral, thermal and biological studies on N(-)(2,4-dinitro-phenyl)-2-mercaptoacetohydrazide and its metal complexes.

    Science.gov (United States)

    El-Asmy, A A; Rakha, T H; Abdel-Rhman, M H; Hassanien, M M; Al-Mola, A S

    2015-02-05

    Complexes of VO(2+), Cr(3+), Co(2+), Ni(2+), Cu(2+), Zn(2+), Cd(2+) and Hg(2+) ions with N(-)(2,4-dinitrophenyl)-2-mercaptoacetohydrazide (H2L) have been prepared and characterized on the basis of elemental analysis, molar conductance, thermal (TGA, DTGA), spectral (IR, NMR, UV-Visible, MS) and magnetic measurements. The IR spectra show that H2L behaves in a mononegative and/or binegative bidentate manner. The sulfate bridged the two complex molecules in [Cu(HL)(H2O)2(½SO4)]⋅3H2O. The acetate functions as a monodentate in [Ni(HL)(OAc)(H2O)3] and [Cr(HL)(OAc)2(H2O)(EtOH)]. Different stereochemistries are proposed: octahedral for Cr(III), Ni(II), Hg(II) and [Cu(HL)(H2O)2(SO4)0.5]⋅3H2O, square-based pyramid for [VO(HL)2]⋅EtOH, square-planar for [Co(L)(EtOH)(H2O)]⋅H2O, [Cu(L)(H2O)2] and tetrahedral for [Zn(L)(EtOH)(H2O)], [Cd(L)(EtOH)(H2O)] and [Cu2(HL)(H2O)6]Cl3⋅H2O according to the data of electronic spectra and magnetic measurements. The TGA data support the formula and indicate the outer and inner solvents as well as the final residue. The thermodynamic parameters are calculated using the Coats-Redfern and Horowitz-Metzger methods. H2L and [Zn(L)(EtOH)(H2O)] showed the highest cytotoxic activity while H2L has a higher antioxidant activity than ascorbic acid. The ionization constant of the ligand and the stability constant of the Cu(II)H2L in absence and presence of hexamine buffer were calculated.

  13. Chemical and biological evaluation of {sup 153}Sm and {sup 46/47}Sc complexes of indazolebisphosphonates for targeted radiotherapy

    Energy Technology Data Exchange (ETDEWEB)

    Neves, Maria, E-mail: mneves@itn.p [Instituto Tecnologico e Nuclear, Sacavem (Portugal); Teixeira, Fatima C.; Antunes, Ines [INETI-Departamento de Tecnologia de Industrias Quimicas, Lisboa (Portugal); Majkowska, Agnieszka [Institute of Nuclear Chemistry and Technology, Warsaw (Poland); Gano, Lurdes [Instituto Tecnologico e Nuclear, Sacavem (Portugal); Santos, Ana Cristina [IBB-Instituto de Biofisica e Biomatematica, Coimbra (Portugal)

    2011-01-15

    Introduction: Novel 1-hydroxy-1,1-bisphosphonates derived from indazole and substituted at the C-3 position were labeled with the radionuclides {sup 46}Sc and {sup 153}Sm. Several parameters such as molar ligand concentration, pH, reaction time and temperature were studied. The radiolabelling yield, reaction kinetics and stability were assessed and radiocomplexes were evaluated by in vitro and in vivo experiments. Methods: The radionuclides {sup 46}Sc and {sup 153}Sm were obtained by neutron irradiation of natural Sc{sub 2}O{sub 3} and enriched {sup 152}Sm{sub 2}O{sub 3} (98.4%) targets at the neutron flux of 3x10{sup 14} n cm{sup -2} s{sup -1}. The radiolabelling yield, reaction kinetics and stability were accomplished by ascending instant thin layer chromatography. The radiocomplexes were submitted to in vitro experiments (hydroxyapatite binding and lipophilicity) and biodistribution studies in animal models. Results: The radionuclides {sup 46}Sc and {sup 153}Sm were produced with specific activities of 100 and 430 MBq mg{sup -1}, respectively. High radiochemical yields were achieved and the hydrophilic radiocomplexes have shown high degree of binding to hydroxyapatite. Biodistribution studies at 1, 3 and 24 h of the 4 radiocomplexes under study, have showed a similar biodistribution profile with a relatively high bone uptake, slow clearance from blood and a very slow rate of total radioactivity excretion from the whole animal body. Conclusion: We have developed a new class of indazolebisphosphonates complexes with radioisotopes of samarium and scandium. All complexes have shown high degree of binding to hydroxyapatite, which could be attributed to the ionized phosphonate groups. The bone uptake and the bone-to-muscle ratios were relatively low.

  14. Design strategies to improve the sensitivity of photoactive metal carbonyl complexes (photoCORMs) to visible light and their potential as CO-donors to biological targets.

    Science.gov (United States)

    Chakraborty, Indranil; Carrington, Samantha J; Mascharak, Pradip K

    2014-08-19

    The recent surprising discovery of the beneficial effects of carbon monoxide (CO) in mammalian physiology has drawn attention toward site-specific delivery of CO to biological targets. To avoid difficulties in handling of this noxious gas in hospital settings, researchers have focused their attention on metal carbonyl complexes as CO-releasing molecules (CORMs). Because further control of such CO delivery through light-triggering can be achieved with photoactive metal carbonyl complexes (photoCORMs), we and other groups have attempted to isolate such complexes in the past few years. Typical metal carbonyl complexes release CO when exposed to UV light, a fact that often deters their use in biological systems. From the very beginning, our effort therefore was directed toward identifying design principles that could lead to photoCORMs that release CO upon illumination with low-power (5-15 mW/cm(2)) visible and near-IR light. In our work, we have utilized Mn(I), Re(I), and Ru(II) centers (all d(6) ground state configuration) to ensure overall stability of the carbonyl complexes. We also hypothesized that transfer of electron density from the electron-rich metal centers to π* MOs of the ligand frame via strong metal-to-ligand charge transfer (MLCT) transitions in the visible/near-IR region would weaken metal-CO back-bonding and promote rapid CO photorelease. This expectation has been realized in a series of carbonyl complexes derived from a variety of designed ligands and smart choice of ligand/coligand combinations. Several principles have emerged from our systematic approach to the design of principal ligands and the choice of auxiliary ligands (in addition to the number of CO) in synthesizing these photoCORMs. In each case, density functional theory (DFT) and time-dependent DFT (TDDFT) study afforded insight into the dependence of the CO photorelease from a particular photoCORM on the wavelength of light. Results of these theoretical studies indicate that extended

  15. Extracting data from the muck: deriving biological insight from complex microbial communities and non-model organisms with next generation sequencing.

    Science.gov (United States)

    Solomon, Kevin V; Haitjema, Charles H; Thompson, Dawn A; O'Malley, Michelle A

    2014-08-01

    It is becoming increasingly clear that microbes within microbial communities, for which cultured isolates have not yet been obtained, have an immense, untapped reservoir of enzymes that could help address grand challenges in human health, energy, and sustainability. Despite the obstacles associated with culturing these microbes, recent advances in next-generation sequencing (NGS) have made it possible to explore complex microbial communities in their native context for the first time. Key to extracting meaning from rapidly growing NGS datasets are bioinformatics tools that assemble the sequence data, annotate homologous sequences and interrogate it to reveal regulatory patterns. Complementing this are advances in proteomics that can link NGS data to biological function. This combination of next generation sequencing, proteomics and bioinformatic analysis forms a powerful tool to study non-model microbes, which will transform what we know about these dynamic systems.

  16. Influence of Hydrophilic Polymers on the β Factor in Weibull Equation Applied to the Release Kinetics of a Biologically Active Complex of Aesculus hippocastanum

    Directory of Open Access Journals (Sweden)

    Justyna Kobryń

    2017-01-01

    Full Text Available Triterpenoid saponins complex of biological origin, escin, exhibits significant clinical activity in chronic venous insufficiency, skin inflammation, epidermal abrasions, allergic dermatitis, and acute impact injuries, especially in topical application. The aim of the study is the comparison of various hydrogel formulations, as carriers for a horse chestnut seed extract (EH. Methylcellulose (MC, two polyacrylic acid derivatives (PA1 and PA2, and polyacrylate crosspolymer 11 (PC-11 were employed. The release rates of EH were examined and a comparison with the Weibull model equation was performed. Application of MC as the carrier in the hydrogel preparation resulted in fast release rate of EH, whereas in the case of the hydrogel composed with PC-11 the release was rather prolonged. Applied Weibull function adhered best to the experimental data. Due to the evaluated shape parameter β, in the Weibull equation, the systems under study released the active compound according to the Fickian diffusion.

  17. An application of Ag(III) complex chemiluminescence system for the determination of enoxacin in capsule and biological fluid.

    Science.gov (United States)

    Chen, Peiyun; Sun, Hanwen

    2010-01-01

    Ag(III) complex chemiluminescence (CL) system was applied for the determination of enoxacin (ENX). The CL conditions of [Ag(HIO(6))(2)](5-)-H(2)SO(4)-ENX systems without any luminescence reagent were investigated and optimized. Under the optimized conditions, the CL intensity was proportional to the concentration of ENX in the range from 6.6 × 10(-5) to 3.3 × 10(-3) g/L. The limit of detection (s/n = 3) was 2.0 × 10(-5) g/L. The recovery of ENX from the spiked pharmaceutical preparations was in the range of 82.9-108% with a relative standard deviation of 1.9-3.0%. For spiked serum and urine samples the recovery of ENX was in the range of 83.7-110% with a relative standard deviation of 1.1-2.8%. The proposed method was applied successfully to the determination of the drug in capsule, serum and urine samples.

  18. A preorganized metalloreceptor for alkaline earth ions showing calcium versus magnesium selectivity in water: biological activity of selected metal complexes.

    Science.gov (United States)

    Amatori, Stefano; Ambrosi, Gianluca; Fanelli, Mirco; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia

    2014-08-25

    The N,N'-bis[(3-hydroxy-4-pyron-2-yl)methyl]-N,N'-dimethylethylendiamine (Malten = L) forms the highly stable [CuH(-2)L] species in water, in which the converging maltol oxygen atoms form an electron-rich area able to host hard metal ions. When considering the alkaline earth series (AE), the [Cu(H(-2)L)] species binds all metal ions, with the exception of Mg(2+), exhibiting the relevant property to discriminate Ca(2+) versus Mg(2+) at physiological pH 7.4; the binding of the AE metal is visible to the naked eye. The stability constant values of the trinuclear [AE{Cu(H(-2)L)}2](2+) species formed reach the maximum for Ca(2+) (log K=7.7). Ca(2+) also forms a tetranuclear [Ca{Cu(H(-2)L)}]2(4+) species at a high Ca(2+) concentration. Tri- and tetranuclear calcium complexes show blue- and pink-colored crystals, respectively. [Cu(H(-2)L)] is the most active species in inducing DNA alterations. The DNA damages are compatible with its hydrolytic cleavages.

  19. LEMS: A language for expressing complex biological models in concise and hierarchical form and its use in underpinning NeuroML 2

    Directory of Open Access Journals (Sweden)

    Robert C Cannon

    2014-09-01

    Full Text Available Computational models are increasingly important for studying complex neurophysiological systems. As scientific tools, it is essential that such models can be reproduced and critically evaluated by a range of scientists. However, published models are currently implemented using a diverse set of modelling approaches, simulation tools, and computer languages making them inaccessible and difficult to reproduce. Models also typically contain concepts that are tightly linked to domain-specific simulators, or depend on knowledge that is described exclusively in text-based documentation. To address these issues we have developed a compact, hierarchical, XML-based language called LEMS (Low Entropy Model Specification, that can define the structure and dynamics of a wide range of biological models in a fully machine readable format. We describe how LEMS underpins the latest version of NeuroML and show that this framework can define models of ion channels, synapses, neurons and networks. Unit handling, often a source of error when reusing models, is built into the core of the language by specifying physical quantities in models in terms of the base dimensions. We show how LEMS, together with the open source Java and Python based libraries we have developed, facilitates the generation of scripts for multiple neuronal simulators and provides a route for simulator free code generation. We establish that LEMS can be used to define models from systems biology and map them to neuroscience-domain specific simulators, enabling models to be shared between these traditionally separate disciplines. LEMS and NeuroML 2 provide a new, comprehensive framework for defining computational models of neuronal and other biological systems in a machine readable format, making them more reproducible and increasing the transparency and accessibility of their underlying structure and properties.

  20. Biological potential study of metal complexes of sulphonylurea glibenclamide on the house fly, Musca domestica (Diptera—Muscidae): Preparation, spectroscopic and thermal characterization

    Science.gov (United States)

    Mohamed, Gehad G.; Abdallah, S. M.; Zayed, M. A.; Nassar, M. M. I.

    2009-10-01

    The ligatation behaviour of sulphonylurea glibenclamide drug is studied in order to give an idea about its potentiality towards some transition metals in vitro systems. Metal complexes of glibenclamide (GCA; H 3L) drug are prepared and characterized based on elemental analyses, IR, diffused reflectance, magnetic moment, molar conductance and thermal analysis (TG and DTG) techniques. From the elemental analyses data, the complexes are proposed to have the general formulae [M(H 3L)Cl n(H 2O) m]· yH 2O (where M = Cr(III) ( n = 3, m = 1, y = 3); Mn(II) ( n = 2, m = 0, y = 1); Fe(III) ( n = 3, m = 1, y = 0), Co(II) ( n = 2, m = 2, y = 0); Ni(II) ( n = 2, m = 2, y = 3); Cu(II) ( n = 2, m = 2, y = 2) and Zn(II) ( n = 2, m = 0, y = 0). The molar conductance data reveal that all the metal chelates are non-electrolytes. IR spectra show that GCA is coordinated to the metal ions in a neutral bidentate manner with OO donor sites of the amide- O and sulphone -O. From the magnetic and solid reflectance spectra, it is found that the geometrical structures of these complexes are octahedral except Mn(II) and Zn(II) complexes which have tetrahedral structure. The thermal behaviour of these chelates is studied using thermogravimetric analysis (TG and DTG) technique. The activation thermodynamic parameters are calculated using Coats-Redfern method. The GCA drug, in comparison to its metal complexes also is screened for its biological activity against house fly, Musca domestica (Diptera—Muscidae). Dose of 5 μg/insect of GCA is topically applied against 3 days old larval instar of M. domestica. Survival of pupal and adult stages has been affected by the complexes of GCA more than larval instars. Morphogenic abnormalities of larvae, pupae and adults are studied. On the other hand pupation and adult emergence program is deteriorated by the effect of different chemicals.

  1. Quantum Biology

    Directory of Open Access Journals (Sweden)

    Alessandro Sergi

    2009-06-01

    Full Text Available A critical assessment of the recent developmentsof molecular biology is presented.The thesis that they do not lead to a conceptualunderstanding of life and biological systems is defended.Maturana and Varela's concept of autopoiesis is briefly sketchedand its logical circularity avoided by postulatingthe existence of underlying living processes,entailing amplification from the microscopic to the macroscopic scale,with increasing complexity in the passage from one scale to the other.Following such a line of thought, the currently accepted model of condensed matter, which is based on electrostatics and short-ranged forces,is criticized. It is suggested that the correct interpretationof quantum dispersion forces (van der Waals, hydrogen bonding, and so onas quantum coherence effects hints at the necessity of includinglong-ranged forces (or mechanisms for them incondensed matter theories of biological processes.Some quantum effects in biology are reviewedand quantum mechanics is acknowledged as conceptually important to biology since withoutit most (if not all of the biological structuresand signalling processes would not even exist. Moreover, it is suggested that long-rangequantum coherent dynamics, including electron polarization,may be invoked to explain signal amplificationprocess in biological systems in general.

  2. Using learning networks to understand complex systems: a case study of biological, geophysical and social research in the Amazon.

    Science.gov (United States)

    Barlow, Jos; Ewers, Robert M; Anderson, Liana; Aragao, Luiz E O C; Baker, Tim R; Boyd, Emily; Feldpausch, Ted R; Gloor, Emanuel; Hall, Anthony; Malhi, Yadvinder; Milliken, William; Mulligan, Mark; Parry, Luke; Pennington, Toby; Peres, Carlos A; Phillips, Oliver L; Roman-Cuesta, Rosa Maria; Tobias, Joseph A; Gardner, Toby A

    2011-05-01

    Developing high-quality scientific research will be most effective if research communities with diverse skills and interests are able to share information and knowledge, are aware of the major challenges across disciplines, and can exploit economies of scale to provide robust answers and better inform policy. We evaluate opportunities and challenges facing the development of a more interactive research environment by developing an interdisciplinary synthesis of research on a single geographic region. We focus on the Amazon as it is of enormous regional and global environmental importance and faces a highly uncertain future. To take stock of existing knowledge and provide a framework for analysis we present a set of mini-reviews from fourteen different areas of research, encompassing taxonomy, biodiversity, biogeography, vegetation dynamics, landscape ecology, earth-atmosphere interactions, ecosystem processes, fire, deforestation dynamics, hydrology, hunting, conservation planning, livelihoods, and payments for ecosystem services. Each review highlights the current state of knowledge and identifies research priorities, including major challenges and opportunities. We show that while substantial progress is being made across many areas of scientific research, our understanding of specific issues is often dependent on knowledge from other disciplines. Accelerating the acquisition of reliable and contextualized knowledge about the fate of complex pristine and modified ecosystems is partly dependent on our ability to exploit economies of scale in shared resources and technical expertise, recognise and make explicit interconnections and feedbacks among sub-disciplines, increase the temporal and spatial scale of existing studies, and improve the dissemination of scientific findings to policy makers and society at large. Enhancing interaction among research efforts is vital if we are to make the most of limited funds and overcome the challenges posed by addressing large

  3. Cupric citrate as growth promoter for broiler chickens in different rearing stages Citrato cúprico como promotor de crescimento de frangos de corte diferentes em fases de criação

    Directory of Open Access Journals (Sweden)

    Mônica Maria de Almeida Brainer

    2003-01-01

    Full Text Available Feeding cupric citrate as alternative to cupric sulfate to broilers has been suggested in the literature. Day-old male broiler chicks (1,200 were used in an experiment to evaluate the efficacy of cupric citrate supplementation (75 mg Cu kg-1 during the 1-21, 22-42 or 1-42 d periods in comparison to an unsupplemented diet and a diet supplemented with cupric sulfate (200 mg Cu kg-1, 1-42 d. A randomized block design was used, with five treatments, six replicates and 40 birds per pen. The diets, based on corn and soybean meal, and water were offered ad libitum during the 42-day experimental period. Over the entire period, there was no effect of copper supplementation (P > 0.05 on bird live weight, weight gain, feed intake, feed conversion and mortality. Cupric citrate supplementation on the 22-42 d period resulted in worse feed conversion as compared to broilers receiving cupric sulfate (2.014 vs. 1.967, P Citrato cúprico foi apontado como alternativa ao sulfato cúprico como promotor de crescimento na dieta de frangos. Este trabalho avaliou a eficácia do citrato cúprico em diferentes fases da criação de frangos de corte. Foram utilizados 1200 pintos machos, em um experimento em blocos casualizados, com cinco tratamentos, seis repetições e 40 aves por parcela. Os tratamentos consistiram de uma dieta não suplementada ou suplementada com citrato cúprico anidro (75 mg Cu kg-1 de 1 a 21 dias, de 22 a 42 dias ou de 1 a 42 dias, ou com sulfato cúprico pentahidratado (200 mg Cu kg-1 de 1 a 42 dias. Foram avaliados o desempenho das aves e o resíduo de cobre na cama. Dietas, à base de milho e farelo de soja, e água foram fornecidas à vontade durante todo o período experimental. Não houve efeito da suplementação de cobre (P > 0,05 sobre o peso vivo, ganho de peso, consumo de ração, conversão alimentar e mortalidade mais refugagem. Os frangos que receberam citrato cúprico na ração a partir dos 22 dias tiveram, no período 22-42 dias

  4. New Markov-autocorrelation indices for re-evaluation of links in chemical and biological complex networks used in metabolomics, parasitology, neurosciences, and epidemiology.

    Science.gov (United States)

    González-Díaz, Humberto; Riera-Fernández, Pablo

    2012-12-21

    The development of new methods for the computational re-evaluation of links in chemical and biological complex networks is very important to save time and resources. The Moreau-Broto autocorrelation indices (MBis) are well-known topological indices (TIs) used in QSAR/QSPR studies to encode the structural information contained in molecular graphs. In addition, MBis and similar autocorrelation measures have been used to study other systems like, for example, proteins. In the present work, MBis are combined with Markov chains to develop a general class of stochastic MBis of order k (MB(k)) that is used to encode the structural information contained in different types of large complex networks. The MB(k) values obtained for the nodes (centralities) of these networks are used as input variables to seek QSPR-like equations (by means of linear discriminant analysis) in which the outputs are numerical scores S(L(ij)) that allow us to discriminate between connected and nonconnected nodes and therefore re-evaluate the connectivity of the whole network. The models developed in this work produced the following results in terms of overall accuracy for network reconstruction: metabolic networks (72.10%), parasite-host networks (88.70%), CoCoMac brain cortex coactivation network (81.89%), and fasciolosis spreading network (86.39%).

  5. A Personalized Approach to Biological Therapy Using Prediction of Clinical Response Based on MRP8/14 Serum Complex Levels in Rheumatoid Arthritis Patients.

    Directory of Open Access Journals (Sweden)

    S C Nair

    Full Text Available Measurement of MRP8/14 serum levels has shown potential in predicting clinical response to different biological agents in rheumatoid arthritis (RA. We aimed to develop a treatment algorithm based on a prediction score using MRP8/14 measurements and clinical parameters predictive for response to different biological agents.Baseline serum levels of MRP8/14 were measured in 170 patients starting treatment with infliximab, adalimumab or rituximab. We used logistic regression analysis to develop a predictive score for clinical response at 16 weeks. MRP8/14 levels along with clinical variables at baseline were investigated. We also investigated how the predictive effect of MRP8/14 was modified by drug type. A treatment algorithm was developed based on categorizing the expected response per drug type as high, intermediate or low for each patient and optimal treatment was defined. Finally, we present the utility of using this treatment algorithm in clinical practice.The probability of response increased with higher baseline MRP8/14 complex levels (OR = 1.39, differentially between the TNF-blockers and rituximab (OR of interaction term = 0.78, and also increased with higher DAS28 at baseline (OR = 1.28. Rheumatoid factor positivity, functional disability (a higher HAQ, and previous use of a TNF-inhibitor decreased the probability of response. Based on the treatment algorithm 80 patients would have been recommended for anti-TNF treatment, 8 for rituximab, 13 for another biological treatment (other than TNFi or rituximab and for 69 no recommendation was made. The predicted response rates matched the observed response in the cohort well. On group level the predicted response based on the algorithm resulted in a modest 10% higher response rate in our cohort with much higher differences in response probability in individual patients treated contrary to treatment recommendation.Prediction of response using MRP8/14 levels along with clinical predictors has

  6. Scientific Opinion on the safety and efficacy of copper compounds (E4 as feed additives for all species: cupric chelate of amino acids hydrate, based on a dossier submitted by Zinpro Animal Nutrition Inc.

    Directory of Open Access Journals (Sweden)

    EFSA Panel on Additives and Products or Substances used in Animal Feed (FEEDAP

    2013-02-01

    Full Text Available Cupric chelate of amino acids hydrate is safe for all animal species/categories up to the authorised maximum of total copper content in complete feed. Consumption surveys include copper from foodstuffs of animal origin. Since the supplementation of animal feed with copper-containing compounds has not essentially changed over the last decade, no change in the contribution of foodstuffs originating from supplemented animals to the overall copper intake of consumers is expected. No concerns for consumer safety are expected from the use of cupric chelate of amino acids hydrate in animal nutrition, which would substitute for other copper sources. The additive should be considered as a skin and eye irritant and, owing to its amino acid/peptide component, as a skin/respiratory sensitiser. Potential risks to soil organisms have been identified as a result of the application of piglet manure. Levels of copper in other types of manure are too low to create a potential risk within the timescale considered. There might also be a potential environmental concern related to the contamination of sediment resulting from drainage and the run-off of copper to surface water. In order to draw a final conclusion, further model validation is needed and some further refinement to the assessment of copper-based feed additives in livestock needs to be considered, for which additional data would be required. The use of copper-containing additives in aquaculture up to the authorised maximum of total copper content in complete feeds is not expected to pose an appreciable risk to the environment. The extent to which copper-resistant bacteria contribute to the overall antibiotic resistance situation cannot be quantified at present. Cupric chelate of amino acids hydrate is recognised as an efficacious source of copper to meet animal requirements.

  7. Bioenergetics in human evolution and disease: implications for the origins of biological complexity and the missing genetic variation of common diseases.

    Science.gov (United States)

    Wallace, Douglas C

    2013-07-19

    Two major inconsistencies exist in the current neo-Darwinian evolutionary theory that random chromosomal mutations acted on by natural selection generate new species. First, natural selection does not require the evolution of ever increasing complexity, yet this is the hallmark of biology. Second, human chromosomal DNA sequence variation is predominantly either neutral or deleterious and is insufficient to provide the variation required for speciation or for predilection to common diseases. Complexity is explained by the continuous flow of energy through the biosphere that drives the accumulation of nucleic acids and information. Information then encodes complex forms. In animals, energy flow is primarily mediated by mitochondria whose maternally inherited mitochondrial DNA (mtDNA) codes for key genes for energy metabolism. In mammals, the mtDNA has a very high mutation rate, but the deleterious mutations are removed by an ovarian selection system. Hence, new mutations that subtly alter energy metabolism are continuously introduced into the species, permitting adaptation to regional differences in energy environments. Therefore, the most phenotypically significant gene variants arise in the mtDNA, are regional, and permit animals to occupy peripheral energy environments where rarer nuclear DNA (nDNA) variants can accumulate, leading to speciation. The neutralist-selectionist debate is then a consequence of mammals having two different evolutionary strategies: a fast mtDNA strategy for intra-specific radiation and a slow nDNA strategy for speciation. Furthermore, the missing genetic variation for common human diseases is primarily mtDNA variation plus regional nDNA variants, both of which have been missed by large, inter-population association studies.

  8. 铜皂比色法测定稻谷中脂肪酸的研究%The Study of the Determination of Free Fatty Acids in the Grain by the Colorimetric Method of Cupric Acetate-pyridine

    Institute of Scientific and Technical Information of China (English)

    姚云艳; 孙成

    2012-01-01

    Introduce a simple and rapid colorimetric method to determine the free fatty acids in grain. Free fatty acids were extracted by isooctane and used cupric acetate-pyridine as a color developing reagent. The method was more objective, accurate, and easier to perform.%介绍一种简单快速的比色法测定稻谷中脂肪酸含量。采用异辛烷作为提取溶剂,醋酸铜一吡啶溶液作为显色指示剂。该法具有直观准确、易于操作的特点。

  9. FY 1997 report on the results of the industrial technology R and D project. Development of technology to use biological resources such as the complex biological system (Development of biological use petroleum substitution fuel production technology); 1997 nendo fukugo seibutsukei nado seibutsu shigen riyo gijutsu kaihatsu seika hokokusho. Seibutsu riyo sekiyu daitai nenryo seizo gijutsu no kaihatsu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-03-01

    Experimental researches were conducted and the FY 1997 results were reported with the aim of establishing analytical technology for the complex biological system by which the complex biological system can be analyzed in such a state as it is using the molecular biological method. In the study of the molecular genetic analytical technology, PCR primers used for amplification of topoisomerase II genes of the whole eukaryote was designed. As to the histochemical analytical technology, a study was made on the new constitution microorganism detection method by the hybridization method and the antibody specific dyeing method, and the following were conducted: manifestation in quantity of colibacillus and the recovery, refining, and construction of peptide library by fuzzy display method. Concerning the functional analytical technology, technological researches were made such as the environmental adaptation mechanism of high thermophile and the information transfer mechanism among bacteria through cell membranes for elucidation of the special environment detection/response mechanism and the special environment adaptation/resistance mechanism. As to the separation/culture technology, various anaerobic microorganisms were separated from marine sponge for the development of a method of culturing in 3D matrices. (NEDO)

  10. Biological Significance of Photoreceptor Photocycle Length: VIVID Photocycle Governs the Dynamic VIVID-White Collar Complex Pool Mediating Photo-adaptation and Response to Changes in Light Intensity.

    Directory of Open Access Journals (Sweden)

    Arko Dasgupta

    2015-05-01

    Full Text Available Most organisms on earth sense light through the use of chromophore-bearing photoreceptive proteins with distinct and characteristic photocycle lengths, yet the biological significance of this adduct decay length is neither understood nor has been tested. In the filamentous fungus Neurospora crassa VIVID (VVD is a critical player in the process of photoadaptation, the attenuation of light-induced responses and the ability to maintain photosensitivity in response to changing light intensities. Detailed in vitro analysis of the photochemistry of the blue light sensing, FAD binding, LOV domain of VVD has revealed residues around the site of photo-adduct formation that influence the stability of the adduct state (light state, that is, altering the photocycle length. We have examined the biological significance of VVD photocycle length to photoadaptation and report that a double substitution mutant (vvdI74VI85V, previously shown to have a very fast light to dark state reversion in vitro, shows significantly reduced interaction with the White Collar Complex (WCC resulting in a substantial photoadaptation defect. This reduced interaction impacts photoreceptor transcription factor WHITE COLLAR-1 (WC-1 protein stability when N. crassa is exposed to light: The fast-reverting mutant VVD is unable to form a dynamic VVD-WCC pool of the size required for photoadaptation as assayed both by attenuation of gene expression and the ability to respond to increasing light intensity. Additionally, transcription of the clock gene frequency (frq is sensitive to changing light intensity in a wild-type strain but not in the fast photo-reversion mutant indicating that the establishment of this dynamic VVD-WCC pool is essential in general photobiology and circadian biology. Thus, VVD photocycle length appears sculpted to establish a VVD-WCC reservoir of sufficient size to sustain photoadaptation while maintaining sensitivity to changing light intensity. The great diversity

  11. Synthesis, characterization, fluorescence and biological studies of Mn(II, Fe(III and Zn(II complexes of Schiff bases derived from Isatin and 3-substituted-4-amino-5-mercapto-1,2,4-triazoles

    Directory of Open Access Journals (Sweden)

    Sangamesh A. Patil

    2014-12-01

    Full Text Available A series of Mn(II, Fe(III and Zn(II complexes have been synthesized with Schiff bases derived from isatin and 3-substituted-4-amino-5-mercapto-1,2,4-triazole. The elemental, spectroscopic (Infrared, nuclear magnetic resonance, ultraviolet-visible, fast atom bombardment-mass, fluorescence and electrochemistry and magnetic studies suggested that the metal complexes possess octahedral geometry. The Schiff bases and their metal complexes exhibit fluorescent properties. The antimicrobial studies of Schiff bases and their metal complexes against various bacterial (Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Bacillus subtilis and fungal (Aspergillus niger, and Penicillium chrysogenum species by the minimum inhibitory concentration method revealed that the metal complexes possess more healing antibacterial activities than the Schiff bases. DNA cleavage property of Mn(II, Fe(III and Zn(II complexes revealed the important role of metal ion in the biological system.

  12. The `What is a system' reflection interview as a knowledge integration activity for high school students' understanding of complex systems in human biology

    Science.gov (United States)

    Tripto, Jaklin; Ben-Zvi Assaraf, Orit; Snapir, Zohar; Amit, Miriam

    2016-03-01

    This study examined the reflection interview as a tool for assessing and facilitating the use of 'systems language' amongst 11th grade students who have recently completed their first year of high school biology. Eighty-three students composed two concept maps in the 10th grade-one at the beginning of the school year and one at its end. The first part of the interview is dedicated to guiding the students through comparing their two concept maps and by means of both explicit and non-explicit teaching. Our study showed that the explicit guidance in comparing the two concept maps was more effective than the non-explicit, eliciting a variety of different, more specific, types of interactions and patterns (e.g. 'hierarchy', 'dynamism', 'homeostasis') in the students' descriptions of the human body system. The reflection interview as a knowledge integration activity was found to be an effective tool for assessing the subjects' conceptual models of 'system complexity', and for identifying those aspects of a system that are most commonly misunderstood.

  13. X-ray Absorption Spectroscopy and Coherent X-ray Diffraction Imaging for Time-Resolved Investigation of the Biological Complexes: Computer Modelling towards the XFEL Experiment

    Science.gov (United States)

    Bugaev, A. L.; Guda, A. A.; Yefanov, O. M.; Lorenz, U.; Soldatov, A. V.; Vartanyants, I. A.

    2016-05-01

    The development of the next generation synchrotron radiation sources - free electron lasers - is approaching to become an effective tool for the time-resolved experiments aimed to solve actual problems in various fields such as chemistry’ biology’ medicine’ etc. In order to demonstrate’ how these experiments may be performed for the real systems to obtain information at the atomic and macromolecular levels’ we have performed a molecular dynamics computer simulation combined with quantum chemistry calculations for the human phosphoglycerate kinase enzyme with Mg containing substrate. The simulated structures were used to calculate coherent X-ray diffraction patterns’ reflecting the conformational state of the enzyme, and Mg K-edge X-ray absorption spectra, which depend on the local structure of the substrate. These two techniques give complementary information making such an approach highly effective for time-resolved investigation of various biological complexes, such as metalloproteins or enzymes with metal-containing substrate, to obtain information about both metal-containing active site or substrate and the atomic structure of each conformation.

  14. Influence of biological media on the structure and behavior of ferrocene-containing cationic lipid/DNA complexes used for DNA delivery.

    Science.gov (United States)

    Golan, Sharon; Aytar, Burcu S; Muller, John P E; Kondo, Yukishige; Lynn, David M; Abbott, Nicholas L; Talmon, Yeshayahu

    2011-06-07

    Biological media affect the physicochemical properties of cationic lipid-DNA complexes (lipoplexes) and can influence their ability to transfect cells. To develop new lipids for efficient DNA delivery, the influence of serum-containing media on the structures and properties of the resulting lipoplexes must be understood. To date, however, a clear and general picture of how serum-containing media influences the structures of lipoplexes has not been established. Some studies suggest that serum can disintegrate lipoplexes formed using certain types of cationic lipids, resulting in the inhibition of transfection. Other studies have demonstrated that lipoplexes formulated from other lipids are stable in the presence of serum and are able to transfect cells efficiently. In this article, we describe the influence of serum-containing media on lipoplexes formed using the redox-active cationic lipid bis(n-ferrocenylundecyl)dimethylammonium bromide (BFDMA). This lipoplex system promotes markedly decreased levels of transgene expression in COS-7 cells as serum concentrations are increased from 0 to 2, 5, 10, and 50% (v/v). To understand the cause of this decrease in transfection efficiency, we used cryogenic transmission electron microscopy (cryo-TEM) and measurements of zeta potential to characterize lipoplexes in cell culture media supplemented with 0, 2, 5, 10, and 50% serum. Cryo-TEM revealed that in serum-free media BFDMA lipoplexes form onionlike, multilamellar nanostructures. However, the presence of serum in the media caused disassociation of the intact multilamellar lipoplexes. At low serum concentrations (2 and 5%), DNA threads appeared to separate from the complex, leaving the nanostructure of the lipoplexes disrupted. At higher serum concentration (10%), disassociation increased and bundles of multilamellae were discharged from the main multilamellar complex. In contrast, lipoplexes characterized in serum-free aqueous salt (Li(2)SO(4)) medium and in OptiMEM cell

  15. Synthetic biology: insights into biological computation.

    Science.gov (United States)

    Manzoni, Romilde; Urrios, Arturo; Velazquez-Garcia, Silvia; de Nadal, Eulàlia; Posas, Francesc

    2016-04-18

    Organisms have evolved a broad array of complex signaling mechanisms that allow them to survive in a wide range of environmental conditions. They are able to sense external inputs and produce an output response by computing the information. Synthetic biology attempts to rationally engineer biological systems in order to perform desired functions. Our increasing understanding of biological systems guides this rational design, while the huge background in electronics for building circuits defines the methodology. In this context, biocomputation is the branch of synthetic biology aimed at implementing artificial computational devices using engineered biological motifs as building blocks. Biocomputational devices are defined as biological systems that are able to integrate inputs and return outputs following pre-determined rules. Over the last decade the number of available synthetic engineered devices has increased exponentially; simple and complex circuits have been built in bacteria, yeast and mammalian cells. These devices can manage and store information, take decisions based on past and present inputs, and even convert a transient signal into a sustained response. The field is experiencing a fast growth and every day it is easier to implement more complex biological functions. This is mainly due to advances in in vitro DNA synthesis, new genome editing tools, novel molecular cloning techniques, continuously growing part libraries as well as other technological advances. This allows that digital computation can now be engineered and implemented in biological systems. Simple logic gates can be implemented and connected to perform novel desired functions or to better understand and redesign biological processes. Synthetic biological digital circuits could lead to new therapeutic approaches, as well as new and efficient ways to produce complex molecules such as antibiotics, bioplastics or biofuels. Biological computation not only provides possible biomedical and

  16. Characterization and reactivity of the weakly bound complexes of the [H, N, S]{sup −} anionic system with astrophysical and biological implications

    Energy Technology Data Exchange (ETDEWEB)

    Trabelsi, T.; Ajili, Y.; Ben Yaghlane, S.; Jaidane, N.-E. [Laboratoire de Spectroscopie Atomique, Moléculaire et Applications–LSAMA, Université de Tunis El Manar, Tunis (Tunisia); Mogren Al-Mogren, M. [Chemistry Department, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Francisco, J. S. [Department of Chemistry and Department of Earth and Atmospheric Sciences, Purdue University, West Lafayette, Indiana 47906 (United States); Hochlaf, M., E-mail: hochlaf@univ-mlv.fr [Laboratoire Modélisation et Simulation Multi Echelle, Université Paris-Est, MSME UMR 8208 CNRS, 5 Blvd. Descartes, 77454 Marne-la-Vallée (France)

    2015-07-21

    We investigate the lowest electronic states of doublet and quartet spin multiplicity states of HNS{sup −} and HSN{sup −} together with their parent neutral triatomic molecules. Computations were performed using highly accurate ab initio methods with a large basis set. One-dimensional cuts of the full-dimensional potential energy surfaces (PESs) along the interatomic distances and bending angle are presented for each isomer. Results show that the ground anionic states are stable with respect to the electron detachment process and that the long range parts of the PESs correlating to the SH{sup −} + N, SN{sup −} + H, SN + H{sup −}, NH + S{sup −}, and NH{sup −} + S are bound. In addition, we predict the existence of long-lived weakly bound anionic complexes that can be formed after cold collisions between SN{sup −} and H or SH{sup −} and N. The implications for the reactivity of these species are discussed; specifically, it is shown that the reactions involving SH{sup −}, SN{sup −}, and NH{sup −} lead either to the formation of HNS{sup −} or HSN{sup −} in their electronic ground states or to autodetachment processes. Thus, providing an explanation for why the anions, SH{sup −}, SN{sup −}, and NH{sup −}, have limiting detectability in astrophysical media despite the observation of their corresponding neutral species. In a biological context, we suggest that HSN{sup −} and HNS{sup −} should be incorporated into H{sub 2}S-assisted heme-catalyzed reduction mechanism of nitrites in vivo.

  17. Physico-chemical and biological studies of Cu(II, Co(II and Ni(II complexes of an N4 coordinating ligand derived from diacetylbisethylenediamine and benzoic acid

    Directory of Open Access Journals (Sweden)

    Singh Pal Netra

    2012-01-01

    Full Text Available Mononuclear metal complexes of the type [ML1]Cl2 (where, M = = Cu(II, Co(II or Ni(II and L1 = ligand were synthesized by the reaction of a new N4 coordinating ligand, derived from diacetylbisethylenediamine with benzoic acid, and the corresponding hydrated metal chloride salts. The metal complexes were characterized by elemental analysis, melting point determination, molar conductance and magnetic moment measurements, IR, UV-Vis, 1H- and 13C-NMR, and ESR spectroscopy. The ligand and all the metal complexes were stable in the solid state at room temperature. From the analytical and spectroscopic investigations, the stoichiometry of the complexes was found to be 1:1 (metal:ligand. Based on the electronic spectra and magnetic moment data, the metal complexes had a square planar geometry. The molar conductance values show the 1:2 electrolytic nature of the metal complexes. A cyclic voltammetric study of the Cu(II metal complex has also performed, which showed one electron quasi-reversible reduction around -0.92 to -1.10 V. In vitro biological activities of the ligand and metal complexes was checked against two bacteria Bacillus subtilis and Escherichia coli and two fungi Aspirgillus niger and A. flavus which showed the antibacterial and antifungal properties of the ligand and its metal complexes.

  18. ECO-BIOLOGICAL SYSTEM MODELING

    Directory of Open Access Journals (Sweden)

    T. I. Burak

    2015-01-01

    Full Text Available The methodology for computer modeling of complex eco-biological models is presented in this paper. It is based on system approach of J. Forrester. Developed methodology is universal for complex ecological and biological systems. Modeling algorithm considers specialties of eco-biological systems and shows adequate and accurate results in practice. 

  19. Informing biological design by integration of systems and synthetic biology.

    Science.gov (United States)

    Smolke, Christina D; Silver, Pamela A

    2011-03-18

    Synthetic biology aims to make the engineering of biology faster and more predictable. In contrast, systems biology focuses on the interaction of myriad components and how these give rise to the dynamic and complex behavior of biological systems. Here, we examine the synergies between these two fields.

  20. Heteroaryl Chalcones: Design, Synthesis, X-ray Crystal Structures and Biological Evaluation

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2013-10-01

    Full Text Available Chalcone derivatives have attracted increasing attention due to their numerous pharmacological activities. Changes in their structures have displayed high degree of diversity that has proven to result in a broad spectrum of biological activities. The present study highlights the synthesis of some halogen substituted chalcones 3(a–i containing the 5-chlorothiophene moiety, their X-ray crystal structures and the evaluation of possible biological activities such as antibacterial, antifungal and reducing power abilities. The results indicate the tested compounds show a varied range of inhibition values against all the tested microbial strains. Compound 3c with a p-fluoro substituent on the phenyl ring exhibits elevated antimicrobial activity, whereas the compounds 3e and 3f displayed the least antimicrobial activities. The compounds 3d, 3e, 3f and 3i showed good ferric and cupric reducing abilities, and the compounds 3b and 3c showed the weakest reducing power in the series.

  1. Heteroaryl chalcones: design, synthesis, X-ray crystal structures and biological evaluation.

    Science.gov (United States)

    Kumar, C S Chidan; Loh, Wan-Sin; Ooi, Chin Wei; Quah, Ching Kheng; Fun, Hoong-Kun

    2013-10-15

    Chalcone derivatives have attracted increasing attention due to their numerous pharmacological activities. Changes in their structures have displayed high degree of diversity that has proven to result in a broad spectrum of biological activities. The present study highlights the synthesis of some halogen substituted chalcones 3(a-i) containing the 5-chlorothiophene moiety, their X-ray crystal structures and the evaluation of possible biological activities such as antibacterial, antifungal and reducing power abilities. The results indicate the tested compounds show a varied range of inhibition values against all the tested microbial strains. Compound 3c with a p-fluoro substituent on the phenyl ring exhibits elevated antimicrobial activity, whereas the compounds 3e and 3f displayed the least antimicrobial activities. The compounds 3d, 3e, 3f and 3i showed good ferric and cupric reducing abilities, and the compounds 3b and 3c showed the weakest reducing power in the series.

  2. Synthesis, structure characterization and biological activity of selected metal complexes of sulfonamide Schiff base as a primary ligand and some mixed ligand complexes with glycine as a secondary ligand

    Science.gov (United States)

    Sharaby, Carmen M.; Amine, Mona F.; Hamed, Asmaa A.

    2017-04-01

    The current work reports synthesis of metal complexes and mixed ligand complexes of a novel sulfonamide Schiff base ligand (HL) resulted from the condensation of sulfametrole [N‧-(4-methoxy-1,2,5-thiadiazol-3-yl]sulfanilamide and acetyl-acetone as a primary ligand and glycine as a secondary ligand. The metal complexes and mixed ligand complexes of HL Schiff base ligand were synthesized and characterized using different physicochemical studies as elemental analyses, mass spectra, conductivity measurement, IR spectra, 1H NMR spectra, UV-vis Spectra, solid reflectance, magnetic susceptibility, thermal analyses (TGA and DTA) and their microbial and anticancer activities. The spectroscopic data of the complexes suggest their 1:2(L1:M) complex structures and 1:2:2(L1:L2:M) mixed ligand complex structures, where L1 = HL and L2 = glycine. Also, the spectroscopic studies suggested the octahedral structure for all complexes. The synthesized Schiff base, its metal and mixed ligand complexes were screened for their bacterial, antifungal and anticancer activity. The activity data show that the metal complexes and mixed ligand complexes exhibited promising microbial and anticancer activities than their parent HL Schiff base ligand, also the data show that the mixed ligand complexes more effective than the metal complexes.

  3. Cu(II complexes of an ionic liquid-based Schiff base [1-{2-(2-hydroxy benzylidene amino ethyl}-3-methyl­imidazolium]Pf6: Synthesis, characterization and biological activities

    Directory of Open Access Journals (Sweden)

    Saha Sanjoy

    2015-01-01

    Full Text Available Two Cu(II complexes of an ionic liquid based Schiff base 1-{2-(2-hydroxybenzylideneamino ethyl}-3-methylimidazolium hexaflurophosphate, were prepared and characterized by different analytical and spectroscopic methods such as elemental analysis, magnetic susceptibility, UV-Vis, IR, NMR and mass spectroscopy. The Schiff base ligand was found to act as a potential bidentate chelating ligand with N, O donor sites and formed 1:2 metal chelates with Cu(II salts. The synthesized Cu(II complexes were tested for biological activity.

  4. Design of molecular scaffolds based on unusual geometries for magnetic modulation of spin-diverse complexes with selective redox response.

    Science.gov (United States)

    Lanznaster, Maurício; Heeg, Mary Jane; Yee, Gordon T; McGarvey, Bruce R; Verani, Claudio N

    2007-01-08

    A weakly coupled heterometallic [CuFe] complex has been prepared in which the metal centers are coordinated to a new electroactive ligand. The spin-diverse system delivers distinct ground states upon application of selective redox potentials. Ligand oxidation fosters radical generation, and the initial ground state associated with a weakly coupled [CuFe] core switches to a ground state associated with the [Fe-radical] coupling; the Cu(II) ion remains uncoupled. A third state is obtained upon reduction of the cupric center and in absence of the radical. The possibilities and limitations of these systems are discussed.

  5. Studies on DNA binding behaviour of biologically active transition metal complexes of new tetradentate N2O2 donor Schiff bases: inhibitory activity against bacteria.

    Science.gov (United States)

    Sobha, S; Mahalakshmi, R; Raman, N

    2012-06-15

    A series of Cu(II), Ni(II) and Zn(II) complexes of the type ML have been synthesized with Schiff bases derived from o-acetoacetotoluidide, 2-hydroxybenzaldehyde and o-phenylenediamine/1,4-diaminobutane. The complexes are insoluble in common organic solvents but soluble in DMF and DMSO. The measured molar conductance values in DMSO indicate that the complexes are non-electrolytic in nature. All the six metal complexes have been fully characterized with the help of elemental analyses, molecular weights, molar conductance values, magnetic moments and spectroscopic data. The analytical data helped to elucidate the structure of the metal complexes. The Schiff bases are found to act as tetradentate ligands using N(2)O(2) donor set of atoms leading to a square-planar geometry for the complexes around all the metal ions. The binding properties of metal complexes with DNA were investigated by absorption spectra, viscosity measurements and cyclic voltammetry. Detailed analysis reveals that the metal complexes intercalate into the DNA base stack as intercalators. All the metal complexes cleave the pUC19 DNA in presence of H(2)O(2.) The Schiff bases and their complexes have been screened for their antibacterial activity against five bacterial strains (Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, Staphylococcus epidermidis, Klebsiella pneumoniae) by disk diffusion method. All the metal complexes have potent biocidal activity than the free ligands.

  6. Studies on DNA binding behaviour of biologically active transition metal complexes of new tetradentate N2O2 donor Schiff bases: Inhibitory activity against bacteria

    Science.gov (United States)

    Sobha, S.; Mahalakshmi, R.; Raman, N.

    A series of Cu(II), Ni(II) and Zn(II) complexes of the type ML have been synthesized with Schiff bases derived from o-acetoacetotoluidide, 2-hydroxybenzaldehyde and o-phenylenediamine/1,4-diaminobutane. The complexes are insoluble in common organic solvents but soluble in DMF and DMSO. The measured molar conductance values in DMSO indicate that the complexes are non-electrolytic in nature. All the six metal complexes have been fully characterized with the help of elemental analyses, molecular weights, molar conductance values, magnetic moments and spectroscopic data. The analytical data helped to elucidate the structure of the metal complexes. The Schiff bases are found to act as tetradentate ligands using N2O2 donor set of atoms leading to a square-planar geometry for the complexes around all the metal ions. The binding properties of metal complexes with DNA were investigated by absorption spectra, viscosity measurements and cyclic voltammetry. Detailed analysis reveals that the metal complexes intercalate into the DNA base stack as intercalators. All the metal complexes cleave the pUC19 DNA in presence of H2O2. The Schiff bases and their complexes have been screened for their antibacterial activity against five bacterial strains (Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, Staphylococcus epidermidis, Klebsiella pneumoniae) by disk diffusion method. All the metal complexes have potent biocidal activity than the free ligands.

  7. Synthesis,characterization,and biological activities of Pt(Ⅱ) and Pd(Ⅱ)complexes with 2',3',4',5,7-pentahydroxy flavone

    Institute of Scientific and Technical Information of China (English)

    TANG Hui'An; WANG Xiaofang; YANG Sheng; WANG Liufang

    2004-01-01

    Pt(Ⅱ) and Pd(Ⅱ) complexes with 2',3',4',5,7-pentahydroxy-flavone were synthesized and characterized by elemental analysis, molar conductance, IR, 1HNMR, TG-DTA, UV-Vis spectroscopic techniques, and fluorescence analysis.The scavenging effect on the superoxide radical ( O-2 ) and the inhibitory effect on lipid peroxides were also investigated.Both the ligand and the complexes exhibit scavenging effect on superoxide radicals, and the effect of the complexes is greater than that of the ligand. The Pt(Ⅱ) complex exhibits the strongest scavenging efficiency. Both Pt(Ⅱ) and Pd(Ⅱ) complexes have the inhibitory effect on lipid peroxides, and the effect of the complexes is greater than that of the ligand, but the Pt(Ⅱ) complex has a high effect of promoting lipid peroxides.

  8. 7th Annual Systems Biology Symposium: Systems Biology and Engineering

    Energy Technology Data Exchange (ETDEWEB)

    Galitski, Timothy P.

    2008-04-01

    Systems biology recognizes the complex multi-scale organization of biological systems, from molecules to ecosystems. The International Symposium on Systems Biology has been hosted by the Institute for Systems Biology in Seattle, Washington, since 2002. The annual two-day event gathers the most influential researchers transforming biology into an integrative discipline investingating complex systems. Engineering and application of new technology is a central element of systems biology. Genome-scale, or very small-scale, biological questions drive the enigneering of new technologies, which enable new modes of experimentation and computational analysis, leading to new biological insights and questions. Concepts and analytical methods in engineering are now finding direct applications in biology. Therefore, the 2008 Symposium, funded in partnership with the Department of Energy, featured global leaders in "Systems Biology and Engineering."

  9. Synthesis, spectroscopic, fluorescence properties and biological evaluation of novel Pd(II) and Cd(II) complexes of NOON tetradentate Schiff bases.

    Science.gov (United States)

    Ali, Omyma A M

    2014-01-01

    The solid complexes of Pd(II) and Cd(II) with N,N/bis(salicylaldehyde)4,5-dimethyl-1,2-phenylenediamine (H2L(1)), and N,N/bis(salicylaldehyde)4,5-dichloro-1,2-phenylenediamine (H2L(2)) have been synthesized and characterized by several techniques using elemental analysis (CHN), FT-IR, (1)H NMR, UV-Vis spectra and thermal analysis. Elemental analysis data proved 1:1 stoichiometry for the reported complexes while spectroscopic data indicated square planar and octahedral geometries for Pd(II) and Cd(II) complexes, respectively. The prepared ligands, Pd(II) and Cd(II) complexes exhibited intraligand (π-π(∗)) fluorescence and can potentially serve as photoactive materials. Thermal behavior of the complexes was studied and kinetic parameters were determined by Coats-Redfern method. Both the ligands and their complexes have been screened for antimicrobial activities.

  10. Metal-Based Biologically Active Compounds: Synthesis, Spectral, and Antimicrobial Studies of Cobalt, Nickel, Copper, and Zinc Complexes of Triazole-Derived Schiff Bases

    Directory of Open Access Journals (Sweden)

    Kiran Singh

    2011-01-01

    Full Text Available A series of cobalt, nickel, copper, and zinc complexes of bidentate Schiff bases derived from the condensation reaction of 4-amino-5-mercapto-3-methyl/ethyl-1,2,4-triazole with 2,4-dichlorobenzaldehyde were synthesized and tested as antimicrobial agents. The synthesized Schiff bases and their metal complexes were characterized with the aid of elemental analyses, magnetic moment measurements, spectroscopic and thermogravimetric techniques. The presence of coordinated water in metal complexes was supported by infrared and thermal gravimetric studies. A square planar geometry was suggested for Cu(II and octahedral geometry proposed for Co(II, Ni(II, and Zn(II complexes. The Schiff bases and their metal complexes have been screened for antibacterial (Pseudomonas aeruginosa, Bacillus subtilis and antifungal activities (Aspergillus niger, A. flavus. The metal complexes exhibited significantly enhanced antiba