Recent developments in the rapid analysis of plants and tracking their bioactive constituents

Natural products chemistry has witnessed many new developments in the last 5 years like extractions with subcritical water and ionic liquids, LC/HRMS and LC/SPE/cryo-NMR, UHPLC, TLC/MS, MS-based preparative HPLC, comprehensive chromatography (GC × GC, LC × LC), high-throughput screening, introduction of monolithic columns, miniaturisation, and automated structure identification. Nevertheless identifying bioactive constituents in complex plant extracts remains a tedious process. The classical approach of bioassay guided fractionation is time-consuming while off-line screening of extracts does not provide information on individual compounds and sometimes suffers from false positives or negatives. One way out of this is by coupling chromatography with chemical or biochemical assays, so called high resolution screening. An example is the development of HPLC on-line assays for antioxidants. By the post-column addition of a relatively stable coloured radical like DPPH¿ or ABTS¿+, radical scavengers are detected as negative peaks because in a reaction coil they reduce the model radical to its reduced, non-coloured form. When combined with LC/DAD/MS and LC/SPE/NMR, reliable identification of active constituents becomes possible without the necessity of ever isolating them in a classical sense. Also for finding leads for new drugs, combining HPLC with biochemical assays is interesting but technically more difficult. Most enzymes do not work at the organic modifier concentrations commonly encountered in RP-HPLC and the reaction time is often longer requiring dilution and lengthy coils respectively. Therefore, new techniques have to be implemented to gain the required sensitivity for on-line enzyme assays. For stable analytes, high temperature LC offers a solution to the organic modifier problem. When enzymes are highly expensive, like those used in the screening for Cytochrome P450 inhibitors, miniaturisation to chip format may offer a way out. Microreactors (chips) are not only useful for miniaturising larger assays but also offer completely new prospects in phytochemical analysis. One such application is in the sample clean-up of acids and bases like alkaloids. In a lay-out of three parallel channels of 100 ¿m width with the middle one containing organic phase and the two outer ones water of high pH (feed phase) and low pH (trapping phase) such a chip replaces two classical LLE steps but is much faster and requires less solvents and less manpower input

Conceptual biology, hypothesis discovery, and text mining: Swanson's legacy

Innovative biomedical librarians and information specialists who want to expand their roles as expert searchers need to know about profound changes in biology and parallel trends in text mining. In recent years, conceptual biology has emerged as a complement to empirical biology. This is partly in response to the availability of massive digital resources such as the network of databases for molecular biologists at the National Center for Biotechnology Information. Developments in text mining and hypothesis discovery systems based on the early work of Swanson, a mathematician and information scientist, are coincident with the emergence of conceptual biology. Very little has been written to introduce biomedical digital librarians to these new trends. In this paper, background for data and text mining, as well as for knowledge discovery in databases (KDD) and in text (KDT) is presented, then a brief review of Swanson's ideas, followed by a discussion of recent approaches to hypothesis discovery and testing. 'Testing' in the context of text mining involves partially automated methods for finding evidence in the literature to support hypothetical relationships. Concluding remarks follow regarding (a) the limits of current strategies for evaluation of hypothesis discovery systems and (b) the role of literature-based discovery in concert with empirical research. Report of an informatics-driven literature review for biomarkers of systemic lupus erythematosus is mentioned. Swanson's vision of the hidden value in the literature of science and, by extension, in biomedical digital databases, is still remarkably generative for information scientists, biologists, and physicians. © 2006Bekhuis; licensee BioMed Central Ltd

On the physisorption of water on graphene: Sub-chemical accuracy from many-body electronic structure methods

Molecular adsorption on surfaces plays a central role in catalysis, corrosion, desalination, and many other processes of relevance to industry and the natural world. Few adsorption systems are more ubiquitous or of more widespread importance than those involving water and carbon, and for a molecular level understanding of such interfaces water monomer adsorption on graphene is a fundamental and representative system. This system is particularly interesting as it calls for an accurate treatment of electron correlation effects, as well as posing a practical challenge to experiments. Here, we employ many-body electronic structure methodologies that can be rigorously converged and thus provide faithful references for the molecule-surface interaction. In particular, we use diffusion Monte-Carlo (DMC), coupled cluster (CCSD(T)), as well as the random phase approximation (RPA) to calculate the strength of the interaction between water and an extended graphene surface. We establish excellent, sub-chemical, agreement between the complementary high-level methodologies, and an adsorption energy estimate in the most stable configuration of approximately -100\,meV is obtained. We also find that the adsorption energy is rather insensitive to the orientation of the water molecule on the surface, despite different binding motifs involving qualitatively different interfacial charge reorganisation. In producing the first demonstrably accurate adsorption energies for water on graphene this work also resolves discrepancies amongst previously reported values for this widely studied system. It also paves the way for more accurate and reliable studies of liquid water at carbon interfaces with cheaper computational methods, such as density functional theory and classical potentials

Every Child a Talker: Guidance for consultants and early language lead practitioners (Third instalment: Autumn 2009)

"Every Child a Talker (ECAT) is designed to help practitioners and parents create a developmentally appropriate, supportive and stimulating environment in which children can enjoy experimenting with and learning language... Every Early Language Consultant (ELC) and Early Language Lead Practitioner (ELLP) will have followed a different route on their journey towards ‘Every Child a Talker’... Within all these diverse journeys, however, there are some common elements. This third instalment of the Every Child a Talker (ECAT) file looks at the commonalities of the journeys through a series of case studies." - page

New directions in the analysis of inequality and poverty

Over the last four decades, academic and wider public interest in inequality and poverty has grown substantially. In this paper we address the question: what have been the major new directions in the analysis of inequality and poverty over the last thirty to forty years? We draw attention to developments under seven headings: changes in the extent of inequality and poverty, changes in the policy environment, increased scrutiny of the concepts of ‘poverty’ and inequality’ and the rise of multidimensional approaches, the use of longitudinal perspectives, an increase in availability of and access to data, developments in analytical methods of measurement, and developments in modelling

Picard-Fuchs Equation and Prepotential of Five Dimensional SUSY Gauge Theory Compactified on a Circle

Five dimensional supersymmetric gauge theory compactified on a circle defines an effective N=2 supersymmetric theory for massless fields in four dimensions. Based on the relativistic Toda chain Hamiltonian proposed by Nekrasov, we derive the Picard-Fuchs equation on the moduli space of the Coulomb branch of SU(2) gauge theory. Our Picard-Fuchs equation agrees with those from other approaches; the spectral curve of XXZ spin chain and supersymmetric cycle in compactified M theory. By making use of a relation to the Picard-Fuchs equation of SU(2) Seiberg-Witten theory, we obtain the prepotential and the effective coupling constant that incorporate both a perturbative effect of Kaluza-Klein modes and a non-perturbative one of four dimensional instantons. In the weak coupling regime we check that the prepotential exhibits a consistent behavior in large and small radius limits of the circle.Comment: revised version, appendix E is enlarged, references are added, latex, 32 pages, 1 figure, documentstyle[12pt,eclepsf,a4]{article

Using evidence to improve Psychological Therapies Services

Psychological therapy services offer help to clients with many different sorts of mental health problems using a variety of therapies provided by a range of different professional groups and are supported by a large amount of research evidence. However, applying evidence-based practice in routine clinical settings presents particular challenges. This paper outlines some of the difficulties applying research findings to routine settings and argues for a more inclusive approach to linking evidence with practice. It describes a systematic approach to service evaluation and practice based evidence within a large psychological therapies service. This approach is integrated into the service delivery. It enables clinicians to become engaged in the process of reflecting on evidence in a non-threatening way and allows innovative ways of enhancing reflective practice by linking evidence with practice in routine settings