High performance liquid chromatographic separation of stereoisomeric bile acids as their UV-sensitive esters

High performance liquid chromatographic separation of a series of mono-, di- and trihydroxylated 5β-cholanic acids which differ only in position and configuration of hydroxyl groups at positions C-3, C-7 and/or C-12, is reported. The C-24 free acids were derivatized to four different classes of UV-sensitive esters, i.e.,p-bromophenacyl (BP),m-methoxyphenacyl (MP), 4-nitrophthalimidemethyl (NPM) and 9-anthrylmethyl (AM) esters, and chromatographed on two, variants of C₁₈ reversed-phase columns (Nova-Pak C₁₈ and Zorbax ODS) with methanol-water systems as mobile phase. Separation efficiency and elution order of some isomeric pairs were influenced by both the structure of the C-24 ester groups and the nature of the columns used. Excellent chromatographic properties were found for those derivatives, particularly for the NPM esters.     

Structure and functional complementation of engineered fragments from yeast phosphoglycerate kinase

Previous studies have shown that, although the isolated structuraldomains of yeast phosphoglycerate kinase recover a quasi-nativestructure in vitro as well as in vivo, they do not reassociatenor generate a functional enzyme. The aim of this work was firstto study the folding of complementary fragments different fromstructural domains and second to determine the requirementsfor their reassociation and functional complementation. Themethod used for producing rigorously defined fragments consistsof the introduction of a unique cysteinyl residue in the proteinfollowed by a specific cleavage by 5'5'-dithiobis(2-nitrobenzoate)/potassiumcyanide at this residue. Two pairs of complementary fragmentswere thus obtained, 1–96/97–415 and 1–248/249–415.The structure and stabilities of the different fragments werestudied. The short fragments, i.e. 1–96 and 249–415were found to contain some secondary structure, but to havea low stability. Each large fragment has a high structural contentand a stability close to that of the corresponding domain. Incontrast to that observed with the isolated domains, a weakbut significant complementation was observed for the two pairsof fragments; the pair of fragments 1–248/249–415recovered 8% of the activity of the native enzyme upon complementation.An independent refolding of the complementary fragments beforereassociation decreased the yield of complementation for thepair of fragments 1–96/97–415, but did not affectthe complementation for the other pair (1–248/249–415).From the present data and previous work on the isolated domains,it appears that the correct folding of the isolated fragmentsis not a prerequisite for their complementation.     

EOQ Model: The Case in Which the Placing of Orders Is Rewarded

The first models of optimization of inventory management costs have undergone few changes since they were developed at the beginning of the last century. It is only with the passage of time that new scenarios have appeared with the introduction of new systems of production, and consequently of new strategies in the logistics chain. In this article, we analyze and propose a revision of the basic inventory model of economic order quantity first defined by Harris in 1913 for a scenario in which the owner of the stock receives a bonus or reward each time he replenishes his stock. This situation arises when the supplier receives a benefit (which he then shares with the customer) when managing his stock replenishment. An array of nested models is shown to illustrate this scenario, from which the constraints of previous scenarios have been removed. The model provides insights into the negotiation of batch size between supplier and buyer in a win‐win environment in the specific situation in which the supplier gives a bonus to the buyer at each stock replenishment. © 2011 Wiley Periodicals, Inc.     

Optimal infinite scheduling for multi-priced timed automata

This paper is concerned with the derivation of infinite schedules for timed automata that are in some sense optimal. To cover a wide class of optimality criteria we start out by introducing an extension of the (priced) timed automata model that includes both costs and rewards as separate modelling features. A precise definition is then given of what constitutes optimal infinite behaviours for this class of models. We subsequently show that the derivation of optimal non-terminating schedules for such double-priced timed automata is computable. This is done by a reduction of the problem to the determination of optimal mean-cycles in finite graphs with weighted edges. This reduction is obtained by introducing the so-called corner-point abstraction, a powerful abstraction technique of which we show that it preserves optimal schedules. This work has been mostly done while visiting CISS at Aalborg University in Denmark and has been supported by CISS and by ACI Cortos, a program of the French Ministry of Research.     

Multisensory VR interaction for protein-docking in the CoRSAIRe project

Proteins take on their function in the cell by interacting with other proteins or biomolecular complexes. To study this process, computational methods, collectively named protein docking, are used to predict the position and orientation of a protein ligand when it is bound to a protein receptor or enzyme, taking into account chemical or physical criteria. This process is intensively studied to discover new biological functions for proteins and to better understand how these macromolecules take on these functions at the molecular scale. Pharmaceutical research also employs docking techniques for a variety of purposes, most notably in the virtual screening of large databases of available chemicals to select likely molecular candidates for drug design. The basic hypothesis of our work is that Virtual Reality (VR) and multimodal interaction can increase efficiency in reaching and analysing docking solutions, in addition to fully a computational docking approach. To this end, we conducted an ergonomic analysis of the protein–protein current docking task as it is carried out today. Using these results, we designed an immersive and multimodal application where VR devices, such as the three-dimensional mouse and haptic devices, are used to interactively manipulate two proteins to explore possible docking solutions. During this exploration, visual, audio, and haptic feedbacks are combined to render and evaluate chemical or physical properties of the current docking configuration.     

From Images to Shape Models for Object Detection

We present an object class detection approach which fully integrates the complementary strengths offered by shape matchers. Like an object detector, it can learn class models directly from images, and can localize novel instances in the presence of intra-class variations, clutter, and scale changes. Like a shape matcher, it finds the boundaries of objects, rather than just their bounding-boxes. This is achieved by a novel technique for learning a shape model of an object class given images of example instances. Furthermore, we also integrate Hough-style voting with a non-rigid point matching algorithm to localize the model in cluttered images. As demonstrated by an extensive evaluation, our method can localize object boundaries accurately and does not need segmented examples for training (only bounding-boxes).     

DanVideo: an MPEG-7 authoring and retrieval system for dance videos

A well-annotated dance media is an essential part of a nation’s identity, transcending cultural and language barriers. Many dance video archives suffer from problems concerning authoring and access, because of the complex spatio-temporal relationships that exist between the dancers in terms of movements of their body parts and the emotions expressed by them in a dance. This paper presents a system named DanVideo for semi-automatic authoring and access to dance archives. DanVideo provides methods of annotation and authoring and retrieval tools for choreographers, dancers, and students. We demonstrate how dance media can be semantically annotated and how this information can be used for the retrieval of the dance video semantics. In particular, DanVideo offers an MPEG-7 based semi-automatic authoring tool that takes dance video annotations generated by dance experts and produces MPEG-7 metadata. DanVideo also has a search engine that takes users’ queries and retrieves dance semantics from metadata arranged using tree-embedding technique and based on spatial, temporal and spatio-temporal features of dancers. The search engine also leverages a domain-specific ontology to process knowledge-based queries. We have assessed the dance-video queries and semantic annotations in terms of precision, recall, and fidelity.     

The medial scaffold of 3D unorganized point clouds

We introduce the notion of the medial scaffold, a hierarchical organization of the medial axis of a 3D shape in the form of a graph constructed from special medial curves connecting special medial points. A key advantage of the scaffold is that it captures the qualitative aspects of shape in a hierarchical and tightly condensed representation. We propose an efficient and exact method for computing the medial scaffold based on a notion of propagation along the scaffold itself, starting from initial sources of the flow and constructing the scaffold during the propagation. We examine this method specifically in the context of an unorganized cloud of points in 3D, e.g., as obtained from laser range finders, which typically involve hundreds of thousands of points, but the ideas are generalizable to data arising from geometrically described surface patches. The computational bottleneck in the propagation-based scheme is in finding the initial sources of the flow. We thus present several ideas to avoid the unnecessary consideration of pairs of points which cannot possibly form a medial point source, such as the "visibility of a point from another given a third point and the interaction of clusters of points. An application of using the medial scaffold for the representation of point samplings of real-life objects is also illustrated     

Quantum Complexity of Testing Group Commutativity

We consider the problem of testing the commutativity of a black-box group specified by its k generators. The complexity (in terms of k) of this problem was first considered by Pak, who gave a randomized algorithm involving O(k) group operations. We construct a quite optimal quantum algorithm for this problem whose complexity is in . The algorithm uses and highlights the power of the quantization method of Szegedy. For the lower bound of , we give a reduction from a special case of Element Distinctness to our problem. Along the way, we prove the optimality of the algorithm of Pak for the randomized model.