Patrice Bellot

Toine Bogers

Hugo Kamps

Shlomo Geva

Mark Hall

Hugo Huurdeman

Jaap Kamps

Gabriella Kazai

Marijn Koolen

Véronique Moriceau

Josiane Mothe

Michael Preminger

Eric Sanjuan

Ralf Schenkel

Mette Skov

Xavier Tannier

David Walsh

Overview of INEX 2014

INEX investigates focused retrieval from structured documents by providing large test collections of structured documents, uniform evaluation measures, and a forum for organizations to compare their results. This paper reports on the INEX 2014 evaluation campaign, which consisted of three tracks: The Interactive Social Book Search Track investigated user information seeking behavior when interacting with various sources of information, for realistic task scenarios, and how the user interface impacts search and the search experience. The Social Book Search Track investigated the relative value of authoritative metadata and usergenerated content for search and recommendation using a test collection with data from Amazon and LibraryThing, and user profiles and personal catalogues. The Tweet Contextualization Track investigated tweet contextualization, helping a user to understand a tweet by providing him with a short background summary generated from relevant Wikipedia passages aggregated into a coherent summary. INEX 2014 was an exciting year for INEX in which we for the third time ran our workshop as part of the CLEF labs in order to facilitate knowledge transfer between the evaluation forums. This paper gives an overview of all the INEX 2014 tracks, their aims and task, the built test-collections, the participants, and gives an initial analysis of the results.

Introduction

Traditional IR focuses on pure text retrieval over "bags of words" but the use of structure-such as document structure, semantic metadata, entities, or genre/topical structure-is of increasing importance on the Web and in professional search. INEX has been pioneering the use of structure for focused retrieval since 2002, by providing large test collections of structured documents, uniform evaluation measures, and a forum for organizations to compare their results.

INEX 2014 was an exciting year for INEX in which we further integrated into the CLEF Labs structure in order to foster further collaboration and facilitate knowledge transfer between the evaluation forums. In total three research tracks were included, which studied different aspects of focused information access:

Interactive Social Book Search Track investigates user information seeking behavior when interacting with various sources of information, for realistic task scenarios, and how the user interface impacts search and the search experience. Social Book Search Track investigates the relative value of authoritative metadata and user-generated content for search and recommendation using a test collection with data from Amazon and LibraryThing, and user profiles and personal catalogues. Tweet Contextualization Track investigates tweet contextualization, helping a user to understand a tweet by providing him with a short background summary generated from relevant Wikipedia passages aggregated into a coherent summary (in collaboration with the RepLab Lab).

Also a continuation of the Linked Data Track was announced (in collaboration with the CLEF QA Lab), in particular the Jeopardy Task running SPARQL queries on a DBpedia/Wikipedia corpus, but eventually the QALD task opted for a different corpus.

In the rest of this paper, we discuss the aims and results of the INEX 2014 tracks in relatively self-contained sections: the Interactive Social Book Search track (Section 2), the Social Books Search track (Section 3), and the Tweet Contextualization (Section 4) track.

Interactive Social Book Search Track

In this section, we will briefly discuss the INEX 2014 Interactive Social Book Search Track. Further details are in [START_REF] Hall | Overview of the INEX 2014 interactive book search track[END_REF].

Aims and Tasks

The goal of the Interactive Social Book Search (ISBS) track is to investigate how book searchers use professional metadata and user-generated content at different stages of the search process. The purpose of this task is to gauge user interaction and user experience in social book search by observing user activity with a large collection of rich book descriptions under controlled and simulated conditions, aiming for as much "real-life" experiences intruding into the experimentation. The output will be a rich data set that includes both user profiles, selected individual differences (such as a motivation to explore), a log of user interactivity, and a structured set of questions about the experience.

The Interactive Social Book Search Track is a merger of the INEX Social Book Search Track (discussed in Section 3 below) and the Interactive task of CHiC [START_REF] Petras | Cultural heritage in CLEF (CHiC)[END_REF][START_REF] Toms | The CHiC interactive task (CHiCi) at CLEF2013[END_REF]. The SBS Track started in 2011 and has focused on system-oriented evaluation of book search systems that use both professional metadata and usergenerated content. Out of three years of SBS evaluation arose a need to understand how users interact with these different types of book descriptions and how systems could support user to express and adapt their information needs during the search process. The CHiC Interactive task focused on interaction of users browsing and searching in the Europeana collection. One of the questions is what types of metadata searchers use to determine relevance and interest. The collection, use case and task were deemed not interesting and useful enough to users. The first year of the ISBS will focus on switching to the SBS collection and use case, with as few other changes as possible.

The goal of the interactive book search task is to investigate how searchers interact with book search systems that offer different types of book metadata. The addition of opinionated descriptions and user-supplied tags allows users to search and select books with new criteria. User reviews may reveal information about plot, themes, characters, writing style, text density, comprehensiveness and other aspects that are not described by professional metadata. In particular, the focus is on complex goal-oriented tasks as well as non-goal oriented tasks. For traditional tasks such as known-item search, there are effective search systems based on access points via formal metadata (i.e. book title, author name, publisher, year, etc). But even here user reviews and tags may prove to have an important role. The long-term goal of the task is investigate user behavior through a range of user tasks and interfaces and to identify the role of different types of metadata for different stages in the book search process.

For the Interactive task, the main research question is: How do searchers use professional metadata and user-generated content in book search? This can be broken down into a few more specific questions:

RQ1 How should the system and user interface combine professional and usergenerated information? RQ2 How should the system adapt itself as the user progresses through their search task?

Experimental Setup

The track builds on the INEX Amazon/LibraryThing (A/LT) collection [1, see also Section 3], which contains 1.5 million book descriptions from Amazon, enriched with content from LT. This collection contains both professional metadata and user-generated content. This collection is a subset of a larger collection of 2.8 million description, selecting all and only book descriptions that have a cover image. Two tasks were created to investigate the impact of different task types on the participants interactions with the interfaces and also the professional and user-generated book meta-data. The first is a goal-oriented task, developed as a "simulated leisure task" [START_REF] Skov | Exploring information seeking behaviour in a digital museum context[END_REF] based on a topic derived from the LibraryThing discussion fora:

Imagine you are looking for some interesting physics and mathematics books for a layperson. You have heard about the Feynman books but you have never really read anything in this area. You would also like to find an "interesting facts" sort of book on mathematics.

The LibraryThing collection contains discussion fora in which users asked other users for advice on which books to read for a given topic, question, or area of interest. From this list of discussion topics, a discussion on "layman books for physics and mathematics" was selected as the book collection contained a significant number of books on the topic, it is a neutral topic, it provides guidance, but it is also sufficiently flexible that participants can interpret it as needed.

The second is a non-goal-oriented task, based on the open-ended task used in the iCHiC task at CLEF 2013 [START_REF] Toms | The CHiC interactive task (CHiCi) at CLEF2013[END_REF]: Imagine you are waiting to meet a friend in a coffee shop or pub or the airport or your office. While waiting, you come across this website and explore it looking for any book that you find interesting, or engaging or relevant... The aim of this task is to investigate how users interact with the system when they have no pre-defined goal in a more exploratory search context. It also allows the participants to bring their own goals or sub-tasks to the experiment in line with the "simulated work task" ideas [START_REF] Borlund | The development of a method for the evaluation of interactive information retrieval systems[END_REF].

The setup used extensive questionnaires as fascinated by the SPIRE system [START_REF] Toms | The CHiC interactive task (CHiCi) at CLEF2013[END_REF]: Consent questionnaire: all participants had to confirm that they understood the tasks they would be asked to undertake and the types of data collected in the experiment, and also specified who had recruited them; Demographics questionnaire: the following factors were acquired in order to characterize the participants: gender, age, achieved education level, current education level, and employment status; Culture questionnaire: to quantify language and cultural influences, the following factors were collected: country of birth, country of residence, mother tongue, primary language spoken at home, languages used to search the web; Post-Task questionnaire: in the post task questions, participants were asked to judge how useful each of the interface components and meta-data parts that they had used in the task were, using 5-point Likert-like scales; and Engagement questionnaire: after participants had completed both tasks, they were asked to complete O'Brien and Toms [START_REF] O'brien | The development and evaluation of a survey to measure user engagement[END_REF]'s engagement scale.

Two distinct systems were developed. The first is a Baseline system representing a standard web-search interface, with the left column containing the task instructions, book-bag, and search history and the main area showing the results, see Figure 1.

The second is a Multistage system, having different views for three stages of the search process, see Figure 2. The initial explore stage aimed to support the initial exploration of the data-set and contains a very similar feature set to the baseline, including task instructions, search box, search results, book bag, and search history. The two main differences to the baseline interface were the navigation bar that allows the participants to switch between the stages and the dense, multi-column search results. The focus stage supports in-depth searching and provides detailed search results that directly include the full meta-data that in the other stages is shown via a popup. A category filter was also provided in the left column which provided a means to reduce and refine the search results. The refine stage supports the refining of the final list of books the participants want to choose. It thus focuses on the books the user has already added to their book-bag and this stage cannot be entered until at least one book has been added to the book-bag.

Results

A total of four teams contributed 41 test persons to the experiments. In Table 1 we show which institutes participated in this track and the number of users that took part in their experiments.

Based on the participant responses and log data we have aggregated summary statistics for a number of basic performance metrics in Table 2.

Session length shows median and inter-quartile ranges in minutes and seconds for all interface and task combinations. While the results seem to indicate that participants spent longer in the Baseline interface and also longer on the goaloriented task, the differences are not statistically significant (Wilcoxon signedrank test). For the non-goal task, the median times are roughly similar to the session lengths in the iCHiC experiments This might indicate that that is the approximate time that participants can be expected to spend on any kind of open-ended leisure-task.

Number of Books Collected Baseline 3 (3) 1 (2) Multi-Stage 3.5 (3) 2 (3)
Number of queries shows median and inter-quartile ranges for each interface and task. The results are in line with the session length results, with participants executing slightly more queries in the goal-oriented task (Wilcoxon rank-sum test p < 0.05). However, the interface did not have a significant impact on the number of queries executed.

Number of books viewed shows median and inter-quartile ranges for each interface and task. Participants viewed fewer books in the non-goal task (Wilcoxon rank-sum test p < 0.05), which was to be expected considering that they also executed less queries and spent less time on the task. As with the number of queries the number of books viewed is not significantly influenced by the interface participants used.

Number of books collected shows median and inter-quartile ranges for each combination, based on the number of books participants had in their book-bag when they completed the session, not the total number of books collected over the course of their session. Participants collected those books that they felt were of use to them. Unlike the other metrics, where the interface had no significant influence on the metric, in the non-goal task, participants collected significantly more books using the multi-stage interface than with the baseline interface.

Considering that there are no significant interface effects for the non-goal task in any of the other metrics and that there is no significant difference in the goaloriented task, this strongly suggests that the multi-stage interface provides a benefit to open-ended leisure tasks, while at the same time working just as well as the baseline interface for more focused tasks.

Outlook

As the focus on the INEX 2013 Interactive Social Book Search track was switching to the SBS collection and use case, in particular in terms of the experimental systems and the infrastructure to collect log and questionnaire data, the 2013 edition had the character of a pilot track. Next year, we are able to reap the benefits of these investments and continue with the ISBS track to further investigate how books searchers use professional metadata and user-generated content at different stages of the search process.

Social Book Search Track

In this section, we will briefly discuss the INEX 2014 Social Book Search Track. Further details are in [START_REF] Koolen | Overview of the INEX 2014 social book search track[END_REF].

Aims and Tasks

For centuries books were the dominant source of information, but how we acquire, share, and publish information is changing in fundamental ways due to the Web. The goal of the Social Book Search Track is to investigate techniques to support users in searching and navigating the full texts of digitized books and complementary social media as well as providing a forum for the exchange of research ideas and contributions. Towards this goal the track is building appropriate evaluation benchmarks, complete with test collections for social, semantic and focused search tasks. The track provides opportunities to explore research questions around two key areas: First, evaluation methodologies for book search tasks that combine aspects of retrieval and recommendation. Second, information retrieval techniques for dealing with professional and user-generated metadata.

The Social Book Search (SBS) task, framed within the scenario of a user searching a large online book catalogue for a given topic of interest, aims at exploring techniques to deal with complex information needs-that go beyond topical relevance and can include aspects such as genre, recency, engagement, interestingness, and quality of writing-and complex information sources that include user profiles, personal catalogues, and book descriptions containing both professional metadata and user-generated content.

The 2014 edition represents the fourth consecutive year the SBS task has run and once more the test collection used is the Amazon/LibraryThing collection of 2.8 million documents. LibraryThing forum requests for book suggestions, combined with annotation of these requests resulted in a topic set of 680 topics with graded relevance judgments. Compared to 2013, there are three important changes: (1) a much larger set of 94,000+ user profiles was provided to the participants this year; (2) an additional 300 forum topics were annotated, bringing the total number of topics up to 680; and (3) the Prove It task did not run this year. Prompted by the availability of large collections of digitized books, the Social Book Search Track aims to promote research into techniques for supporting users in searching, navigating and reading full texts of digitized books and associated metadata.

Test Collections

For the Social Book Search task a new type of test collection has been developed. Unlike traditional collections of topics and topical relevance judgements, the task is based on rich, real-world information needs from the LibraryThing (LT) discussion forums and user profiles. The collection consists of 2.8 million book descriptions from Amazon, including user reviews, and is enriched with usergenerated content from LT. This collection was originally constructed by Beckers et al. [START_REF] Beckers | Overview and results of the INEX 2009 interactive track[END_REF], but extended and augmented in various ways, see [START_REF] Koolen | Overview of the INEX 2014 social book search track[END_REF].

For the information needs we used the LT discussion forums. Over the past two years, we had a group of eight different Information Science students annotate the narratives of a random sample of 2,646 LT forum topics. Of the 2,646 topics annotated by the students, 944 topics (36%) were identified as containing a book search information need. Because we want to investigate the value of recommendations, we use only topics where the topic creators add books to their catalogue both before (pre-catalogued) and after starting the topic (postcatalogued). Without the former, recommender systems have no profile to work with and without the latter the recommendation part cannot be evaluated. This leaves 680 topics. These topics were combined with all the pre-catalogued books of the topic creators' profiles and distributed to participating groups. An example of an annotated topic (topic 99309) is: The relevance judgements come in the form of suggestions from other LT members in the same discussion thread and the additional annotations, translated into a graded relevance scale (see [START_REF] Koolen | Overview of the INEX 2014 social book search track[END_REF] for details).

<topic id="
In addition to information needs of social book search topics, LT also provides the rich user profiles of the topic creators and other LT users, which contain information on which books they have in their personal catalogue on LT, which ratings and tags they assigned to them and a social network of friendship relations, interesting library relations and group memberships. These profiles may provide important signals on the user's topical and genre interests, reading level, which books they already know and which ones they like and don't like. These profiles were scraped from the LT site, anonymised and made available to participants. Basic statistics on the number of books per user profile is given in Table 3. By the time users ask for book recommendations, most of them already have a substantial catalogue (pre-catalogued). The distribution is skewed, as the mean (587) is higher than the median (239). After posting their topics, users tend to add many more books (post-catalogued), but fewer than they have already added. Compared to the other users in our crawl (median of 134 books), the topic creators are the more active users, with larger catalogues (median of 432 books).

Results

A total of 64 teams registered for the track (compared with 68 in 2013, 55 in 2012 and 47 in 2011). At the time of writing, we counted 8 active groups (compared with 8 in 2013, 5 in 2012 and 10 in 2011) submitting a total of 40 runs, see Table 4.

The official evaluation measure for this task is nDCG@10. It takes graded relevance values into account and is designed for evaluation based on the top retrieved results. In addition, P@10, MAP and MRR scores will also be reported, with the evaluation results shown in Table 5.

The best performing run is run6.SimQuery1000.rerank all.L2R RandomForest by ustb, which used all topic fields combined against an index containing all available document fields. The run is re-ranked with 12 different re-ranking strategies, which are then combined adaptively using learning-to-rank. The second group is ujm with run 326, which uses BM25 on the title, mediated query and narrative fields, with the parameters optimised for the narrative field. The third group is lsis, with InL2. This run is based on the InL2 model, the index is built from all fields in the book xml files. The system uses the mediated query, group and narrative fields as a query.

There are 11 systems that made use of the user profiles, but they are not among the top ranking systems. The best systems combine various topic fields, with parameters trained for optimal performance. This is the first year that systems included learning-to-rank approaches, the best of which clearly outperforms all other systems.

Last year there were many (126 out of 380, or 33%) topics for which none of the systems managed to retrieve any relevant books. This year, there were only 56 of these topics (8%). There are 27 topics where the only books suggested in the thread are already catalogued or read by the topic creator, so all relevance values are zero. The other 39 topics where all systems fail to retrieve relevant books have very few (mostly 1 or 2) suggestions and tend to be very vague or broad topics where hundreds or thousands of books could be recommended. This drop is probably due to the restriction of selecting only topics of users who catalogue books. Many of the topics on which all systems fail are known-item topics posed by users who have either a private catalogue or who are new users with empty catalogues. These have been removed from this year's topic pool. By selecting topics from only active users, the evaluation moves further away from known-item search.

Outlook

This was the fourth year of the Social Book Search Track. The track ran only a single tasks: the system-oriented Social Book Search task, which continued its focus on both the relative value of professional and user-generated metadata and the retrieval and recommendation aspects of the LT forum users and their information needs. Next year, we plan to shift the focus of the SBS task to the interactive nature of the topic thread and the suggestions and responses given by the topic starter and other members. We are also thinking of a pilot task in which the system not only has to retrieve relevant and recommendable books, but also to select which part of the book description-e.g. a certain set of reviews or tags-is most useful to show to the user, given her information need.

Tweet Contextualization Track

In this section, we will briefly discuss the INEX 2014 Tweet Contextualization Track. Further details are in [START_REF] Bellot | Overview of the INEX 2014 tweet contextualization track[END_REF].

Aims and Tasks

Tweets (or posts in social media) are 140 characters long messages that are rarely self-content. The Tweet Contextualization aims at providing automatically information-a summary that explains the tweet. This requires combining multiple types of processing from information retrieval to multi-document summarization including entity linking. Running since 2010, the task in 2014 was a slight variant of previous ones considering more complex queries from RepLab 2013. Given a tweet and a related entity, systems had to provide some context about the subject of the tweet from the perspective of the entity, in order to help the reader to understand it.

The Tweet Contextualization's task in 2014 is a slight variant of previous ones and it is complementary to CLEF RepLab. Previously, given a tweet, systems had to help the user to understand it by reading a short textual summary. This summary had to be readable on a mobile device without having to scroll too much. In addition, the user should not have to query any system and the system should use a resource freely available. More specifically, the guideline specified the summary should be 500 words long and built from sentences extracted from a dump of Wikipedia. In 2014 a small variant of the task has been explored, considering more complex queries from RepLab 2013, but using the same corpus. The new use case of the task was the following: given a tweet and a related entity, the system must provide some context about the subject of the tweet from the perspective of the entity, in order to help the reader answering questions of the form "why this tweet concerns the entity? should it be an alert?".

In the remaining we give details about the English language tweets, and refer the reader to the overview paper [START_REF] Bellot | Overview of the INEX 2014 tweet contextualization track[END_REF] for the pilot task in Spanish.

Test Collection

The official document collection for 2014 was the same as in 2013. Between 2011 and 2013 the corpus did change every year but not the user case. In 2014, the same corpus was reused but the user case evolved. Since 2014 TC topics are a selection of tweets from RepLab 2013, it was necessary to use prior WikiPedia dumps. Some participants also used the 2012 corpus raising up the question of the impact of updating the WikiPedia over these tasks.

Let us recall that the document collection has been built based on yearly dumps of the English WikiPedia since November 2011. We released a set of tools to convert a WikiPedia dump into a plain XML corpus for an easy extraction of plain text answers. The same perl programs released for all participants have been used to remove all notes and bibliographic references that are difficult to handle and keep only non empty Wikipedia pages (pages having at least one section).

The resulting automatically generated documents from WikiPedia dump, consist of a title (title), an abstract (a) and sections (s). Each section has a subtitle (h). Abstract and sections are made of paragraphs (p) and each paragraph can contain entities (t) that refer to other Wikipedia pages.

As tweets, 240 topics have been collected from RepLab 2013 corpus. These tweets have been selected in order to make sure that:

-They contained "informative content" (in particular, no purely personal messages); -The document collections from Wikipedia had related content, so that a contextualization was possible.

In order to avoid that fully manual, or not robust enough systems could achieve the task, all tweets were to be treated by participants, but only a random sample of them was to be considered for evaluation.

These tweets were provided in XML and tabulated format with the following information:

the category (4 distinct), an entity name from the wikipedia (64 distinct) a manual topic label (235 distinct).

The entity name was to be used as an entry point into WikiPedia or DBpedia. The context of the generated summaries was expected to be fully related to this entity. On the contrary, the usefulness of topic labels for this automatic task was and remains an open question at this moment because of their variety.

Evaluation

Tweet contextualization is evaluated on both informativeness and readability. Informativeness aims at measuring how well the summary explains the tweet or how well the summary helps a user to understand the tweet content. On the other hand, readability aims at measuring how clear and easy to understand the summary is.

The informativeness measure is based on lexical overlap between a pool of relevant passages (RPs) and participant summaries. Once the pool of RPs is constituted, the process is automatic and can be applied to unofficial runs. This year's topics included more facets and converting them into queries for a Research Engine was less straightforward. As a consequence, it was not possible to rely on a pooling from participant runs because it would have been too sparse and incomplete, and a thorough manual run by organizers based on the reference system that was made available to all participants. Unofficial runs based on this reference run can be reliably evaluated.

By contrast, readability is evaluated manually and cannot be reproduced on unofficial runs. In this evaluation the assessor indicates where he misses the point of the answers because of highly incoherent grammatical structures, unsolved anaphora, or redundant passages. Three metrics were used: Relaxed metric, counting passages where the T box has not been checked; Syntax metric, counting passages where the S box was not checked either (i.e, the passage has no syntactic problems), and the Structure (or Strict) metric counting passages where no box was checked at all. In all cases, participant runs were ranked according to the average, normalized number of words in valid passages.

Results

In the 2014 edition of the track, four combined teams from six countries (Canada, France, Germany, India, Russia, Tunesia) submitted 12 runs to the Tweet Contextualization track. Two other teams from Mexico and Spain participated to the pilot task in Spanish submitting three runs as detailed in the track overview paper [START_REF] Bellot | Overview of the INEX 2014 tweet contextualization track[END_REF]. The total number of submitted passages was 54, 932 with an average length of 32 tokens. The total number of tokens was 1, 764, 373 with an average of 7, 352 per tweet. We also generated two reference runs based one the organizer's system made available to participants using 2013 and 2012 corpus respectively.

Informativeness results are presented in Table 6, with passage t-rels on the left and NPs t-rels on the right. Readability results are presented in Table 7. Note that the scores are divergences, and hence lower scores are better.

Both informativeness rankings in Table 6 are highly correlated, however discrepancies between the two rankings show that differences between top ranked runs rely on tokens outside NPs, mainly verbs since functional words are removed in the evaluation.

Table 7 reveals that readability of reference runs is low, meanwhile they are made of longer passages than average to ensure local syntax correctness. Since reference runs are using the same system and index as the manual run used to build the t-rels, they tend to minimize the informativeness divergence with the reference. However, average divergence remains high pointing out that selecting the right passages in the restricted context of an entity, was more difficult than previous more generic tasks. Considering readability, the fact that reference runs are low ranked confirms that finding the right compromise between readability and informativeness remains the main difficulty of this task. This year, the best participating system for informativeness used association rules. Since contextualization was restricted to some facet described by an entity, it could be that association rules helped to focus on this aspect. The best participating system for readability used an advanced summarization systems that introduced minor changes in passages to improve readability. Changing the content of the passages was not allowed, however this tend to show that to deal with readability some rewriting is required. Moreover, since this year evaluation did not include a pool of passages from participants, systems that provided modified passages have been disadvantaged in informativeness evaluation.

Outlook

The discussion on next year's track is only starting, and there are links to related activities in other CLEF labs that need to be further explored.

Envoi

This complete our walk-through of INEX 2014. INEX 2014 focused on three tracks. The Interactive Social Book Search Track investigated user information seeking behavior when interacting with various sources of information, for realistic task scenarios, and how the user interface impacts search and the search experience. The Social Book Search Track investigated the relative value of authoritative metadata and user-generated content for search and recommendation using a test collection with data from Amazon and LibraryThing, and user profiles and personal catalogues. The Tweet Contextualization Track investigated tweet contextualization, helping a user to understand a tweet by providing him with a short background summary generated from relevant Wikipedia passages aggregated into a coherent summary (in collaboration with the RepLab Lab).

The INEX tracks cover various aspects of focused retrieval in a wide range of information retrieval tasks. This overview has only touched upon the various approaches applied to these tasks, and their effectiveness. The online proceedings of CLEF 2014 contains both the track overview papers [START_REF] Bellot | Overview of the INEX 2014 tweet contextualization track[END_REF][START_REF] Hall | Overview of the INEX 2014 interactive book search track[END_REF][START_REF] Koolen | Overview of the INEX 2014 social book search track[END_REF], as well as the papers of the participating groups. The main result of INEX 2014, however, is a great number of test collections that can be used for future experiments, and the discussion amongst the participants that happens at the CLEF 2014 conference in Sheffield and throughout the year on the discussion lists.

Fig. 1 .

 1 Fig. 1. Baseline interface's results view

Fig. 2 .

 2 Fig. 2. Multistage interface: Explore view (top), Focus view (middle), and Refine view (bottom)

Table 1 .

 1 Overview of the participating teams and number of users per team

	Institute	# Test persons
	Aalborg	7
	Amsterdam	7
	Edge Hill	10
	Humboldt	17
	Total	41

Table 2 .

 2 Statistics over systems and tasks

		Goal-oriented	Non-goal
	Session Length
	Baseline	6:25min (3:42min) 3:42min (3:45min)
	Multi-Stage	3:35min (4:24min) 2:40min (6:21min)
	Number of Queries
	Baseline	4	(5.5)	2	(4.5)
	Multi-Stage	3	(2.75)	2	(3)
	Number of Books Viewed
	Baseline	4	(5.5)	2	(4.5)
	Multi-Stage	3	(2.75)	2	(3)

Table 3 .

 3 User profile statistics of the topic creators and all other users.

	Type	N	total min max median mean stdev
	Topic Creators
	Pre-catalogued	680	399,147	1 5884	239 587 927
	Post-catalogued	680	209,289	1 5619	114 308 499
	Total catalogue	680	608,436	2 8563	432 895 1202
	All users
	Others	93,976 33,503,999	1 41,792	134 357 704
	Total	94,656 34,112,435	1 41,792	135 360 710

Table 4 .

 4 Active participants of the INEX 2014 Social Book Search Track and number of contributed runs

	ID Institute	Acronym Runs
	4	University of Amsterdam	UvA	4
	54	Aalborg University Copenhagen	AAU	3
	65	University of Minnesota Duluth	UMD	6
	123 LSIS / Aix-Marseille University	SBS	6
	180 Chaoyang University of Technology	CYUT	4
	232 Indian School of Mines, Dhanbad	ISMD	5
	419 Université Jean Monnet	UJM	6
	423 University of Science and Technology Beijing USTB	6
		Total		40

Table 5 .

 5 Evaluation results for the official submissions (best run per team). Best scores are in bold. Runs marked with are manual runs.

	Group Run	ndcg@10 P@10 mrr map Profiles
	USTB run6.SimQuery1000.rerank all.-	0.303 0.464 0.232 0.390 No
	L2R RandomForest
	UJM 326	0.142 0.275 0.107 0.426 No
	LSIS InL2	0.128 0.236 0.101 0.441 No
	AAU run1.all-plus-query.all-doc-fields	0.127 0.239 0.097 0.444 No
	CYUT Type2QTGN	0.119 0.246 0.086 0.340 No
	UvA inex14.ti qu.fb.10.50.5000	0.097 0.179 0.073 0.421 No
	UMD Full TQG fb.10.50 0.0000227 50	0.097 0.188 0.069 0.328 Yes
	ISMD 354	0.067 0.123 0.049 0.285 No

Table 6 .

 6 Informativeness results (official results are "with 2-gap").

		Passage t-rels			NP t-rels
	Rank	Run unigram bigram with 2-gap	Rank	Run unigram bigram with 2-gap
	1	ref2013 0.7050 0.7940	0.7960	1	ref2013 0.7468 0.8936	0.9237
	2	ref2012 0.7528 0.8499	0.8516	2	ref2012 0.7784 0.9170	0.9393
	3	361 0.7632 0.8689	0.8702	3	361 0.7903 0.9273	0.9461
	4	360 0.7820 0.8925	0.8934	4	368 0.8088 0.9322	0.9486
	5	368 0.8112 0.9066	0.9082	5	369 0.8090 0.9326	0.9489
	6	369 0.8140 0.9098	0.9114	6	370 0.8131 0.9360	0.9513
	7	359 0.8022 0.9120	0.9127	7	360 0.8104 0.9406	0.9553
	8	370 0.8152 0.9137	0.9154	8	359 0.8227 0.9487	0.9613
	9	356 0.8415 0.9696	0.9702	9	356 0.8477 0.9710	0.9751
	10	357 0.8539 0.9700	0.9712	10	357 0.8593 0.9709	0.9752
	11	364 0.8461 0.9697	0.9721	11	364 0.8628 0.9744	0.9807
	12	358 0.8731 0.9832	0.9841	12	358 0.8816 0.9840	0.9864
	13	362 0.8686 0.9828	0.9847	13	363 0.8840 0.9827	0.9870
	14	363 0.8682 0.9825	0.9847	14	362 0.8849 0.9833	0.9876

Table 7 .

 7 Readability results

	Rank	Run Relaxed (T) Syntax (S) Structure (A) Average
	1	358	0.948220 0.722796	0.721683 0.931005
	2	356	0.952381 0.650917	0.703141 0.923958
	3	357	0.948846 0.578212	0.713445 0.915750
	4	362	0.836699 0.366561	0.608136 0.875917
	5	363	0.836776 0.363954	0.611289 0.875500
	6	364	0.880508 0.337197	0.639092 0.869167
	7	359	0.930300 0.258563	0.535264 0.863375
	8	360	0.925959 0.258658	0.588365 0.863274
	9	361	0.932281 0.247883	0.501199 0.859749
	10	ref2013	0.917378 0.259702	0.605203 0.857958
	11	ref2012	0.913858 0.259584	0.606742 0.855583
	12	369	0.912318 0.259539	0.549334 0.815625
	13	368	0.908815 0.248981	0.565912 0.808750
	14	370	0.901044 0.246893	0.538338 0.806958


Paulo Bonifácio

Nicolas Lavesque

Guy Bachelet

Paulo Bonifacio

Julio Parapar

ANOBOTHRUS AMOUROUXI SP. NOV., A NEW SPECIES OF AMPHARETIDAE (POLYCHAETA) FROM THE CAPBRETON CANYON (BAY OF BISCAY, NE ATLANTIC OCEAN)

Keywords: Polychaeta, Ampharetidae, Anobothrus, taxonomy, new species, Bay of Biscay, Capbreton Canyon

come     Anobothrus amourouxi sp. nov., a new species of Ampharetidae (Polychaeta) from the Capbreton Canyon (Bay of Biscay, NE Atlantic Ocean)

INTRODUCTION

Members of the Family Ampharetidae (Annelida: Polychaeta) are widely distributed from intertidal to abyssal depths and are common in deep-sea environments like plains, hot vents or cold seeps [START_REF] Böggemann | Polychaetes (Annelida) of the abyssal SE Atlantic. Organisms[END_REF][START_REF] Reuscher | Four new species of Ampharetidae (Annelida: Polychaeta) from Pacific hot vents and cold seeps, with a key and synoptic table of characters for all genera[END_REF][START_REF] Aguirrezabalaga | Deep-sea Ampharetidae (Polychaeta) from Capbreton Canyon (north-east Atlantic) with the description of a new species[END_REF]. According to [START_REF] Jirkov | Discussion of taxonomic characters and classification of Ampharetidae (Polychaeta)[END_REF], this family includes more than 200 valid species distributed in two subfamilies: Ampharetinae [START_REF] Malmgren | Nordiska Hafs-Annulater. Öfversigt af Kongl[END_REF]Melinnae Chamberlin, 1919. The taxonomy of ampharetids is complex and recently the number of genera was proposed to be strongly reduced from 90 to 24 [START_REF] Jirkov | Discussion of taxonomic characters and classification of Ampharetidae (Polychaeta)[END_REF]. The genus Anobothrus is one of the most speciose with 18 species currently considered valid, 10 of them described between 2008 and 2014 [START_REF] Jirkov | Revision of Ampharetidae (Polychaeta) with modified thoracic notopodia[END_REF][START_REF] Schüller | New polychaete species collected during the expeditions ANDEEP I, II, and III to the deep Atlantic sector of the Southern Ocean in the austral summers 2002 and 2005 -Ampharetidae, Opheliidae, and Scalibregmatidae[END_REF][START_REF] Reuscher | Four new species of Ampharetidae (Annelida: Polychaeta) from Pacific hot vents and cold seeps, with a key and synoptic table of characters for all genera[END_REF][START_REF] Imajima | Ampharetidae (Annelida: Polychaeta) from Japan. Part II: Genera with elevated and modified notopodia[END_REF][START_REF] Schüller | New Ampharetidae (Polychaeta) from the deep Southern Ocean and shallow Patagonian waters[END_REF].

The first studies concerning the deep-sea macrofauna of the Bay of Biscay started in the 19 th century and several expeditions were conducted in the 1970s [START_REF] Laubier | Le programme BIOGAS[END_REF]. Since the 1990s, several new species of Polychaeta have been described in the Capbreton Canyon following new oceanographic cruises from 1987 to 1990 (San Martín et al., 1996;Nuñez et al., 2000;[START_REF] Aguirrezabalaga | Octomagelona bizkaiensis (Polychaeta: Magelonidae) a new genus and species from the Capbreton Canyon (Bay of Biscay, north-east Atlantic)[END_REF][START_REF] Aguirrezabalaga | Onuphidae (Polychaeta) from the Capbreton Canyon (Bay of Biscay, NE Atlantic) with the description of Paradiopatra capbretonensis sp[END_REF][START_REF] Aguirrezabalaga | Dorvilleidae (Polychaeta) from the Capbreton Canyon (Bay of Biscay, NE Atlantic) with the description of Pettiboneia sanmartini sp[END_REF], 2005a, 2005b, 2006;[START_REF] Aguirrezabalaga | Lumbrineridae (Polychaeta) from the Capbreton Canyon (Bay of Biscay, NE Atlantic) with the description of two new species[END_REF][START_REF] Aguirrezabalaga | Paraonidae (Polychaeta) from the Capbreton Canyon (Bay of Biscay, NE Atlantic) with the description of eight new species[END_REF][START_REF] Aguirrezabalaga | Deep-sea Ampharetidae (Polychaeta) from Capbreton Canyon (north-east Atlantic) with the description of a new species[END_REF]. The Capbreton Canyon is situated in the southeast of the Bay of Biscay, beginning at 250 m from the coastline, in front of Hossegor city. It extends through 300 km before ending on the abyssal plain at 3500 m depth [START_REF] Gaudin | Past and present sedimentary activity in the Capbreton Canyon, southern Bay of Biscay[END_REF][START_REF] Mazières | High-resolution morphobathymetric analysis and evolution of Capbreton submarine canyon head (Southeast Bay of Biscay-French Atlantic Coast) over the last decade using descriptive and numerical modeling[END_REF]. Currently disconnected from the Adour River, the canyon continues to be affected by its plume during 20% of the year [START_REF] Petus | Monitoring spatio-temporal variability of the Adour River turbid plume (Bay of Biscay, France) with MODIS 250-m imagery[END_REF]. The Capbreton Canyon separates the northern Aquitanian shelf from the narrower southern Cantabrian platform [START_REF] Pascual | Chapter 3 Geology and Palaeoceanography[END_REF].

The main purpose of the BIOMIN project was to study the in situ impact of the biological diversity on the mineralization of the organic matter at the water-sediment interface. This study took place close to three river mouths: Rhône River (Gulf of Lions, Mediterranean Sea), Gironde Estuary and Adour River (Bay of Biscay, Atlantic Ocean). During this project a new species of Anobothrus was discovered in the Capbreton Canyon. The present paper provides the description of this species as well as a key for world-wide hitherto described species of this genus.

MATERIALS AND METHODS

The third cruise of the BIOMIN project (BIOMIN-3) took place on board of the RV Côtes de la Manche in July 2012 in the Capbreton Canyon. Macrofauna was sampled at 5 stations situated between 108 to 735 m depth and between 18 and 52 km off the Adour River (Figure 1). At each station, samples were collected using a Hamon grab (3 replicates of 0.25 m²) and an Oktopus® GmbH MC 6 multicorer (9 replicates of 0.007 m²). Samples were sieved through a 1 mm mesh and the remaining fraction was immediately fixed in 5% buffered formalin. Back to the laboratory, organisms were sorted, identified to the lowest taxonomic level (in most cases to the species level) and counted.

Specimens of the new

RESULTS

SYSTEMATICS

Family AMPHARETIDAE [START_REF] Malmgren | Nordiska Hafs-Annulater. Öfversigt af Kongl[END_REF] Subfamily AMPHARETINAE [START_REF] Malmgren | Nordiska Hafs-Annulater. Öfversigt af Kongl[END_REF] Genus Anobothrus [START_REF] Levinsen | Systematisk-geografisk Oversigt over de nordiske Annulata, Gephyrea, Chaetognathi og Balanoglossi. 2[END_REF] Type species: Ampharete gracilis Malmgren, 1866 Synonyms: Anobothrella Hartman, 1967: 155-156;Melythasides Desbruyères, 1978: 232-235;Sosanides Hartmann-Schröder, 1965: 243-246.

GENERIC DIAGNOSIS (EMENDED)

Prostomium trilobed, Ampharete-type, without glandular ridges. Buccal tentacles papillated or smooth. SII and SIII fused. Three to four pairs of branchiae (smooth or with transversal ciliated ridges or papillated), 3 pairs forming transversal row with or without gap arising from fused SII+III to SIV and the fourth pair, if present, situated behind this row, arising from SV. Notochaetae in fused SII+III originating from SII or SIII, or both. If present, notochaetae originating from SII varying in size from regular size to strongly enlarged (paleae). If present, notochaetae originating from SIII varying from reduced to regular size. If present, a pair of nephridrial papillae is situated in SIV behind innermost pair of branchiae or behind some anterior notopodia. Sixteen to seventeen TS. Thirteen to fifteen TC starting at SIII-IV. Eleven or twelve TU starting at SVI. Notopodial cirri absent. Circular whitish band in TU1, TU2 or TU3. Fourth-, fifth-or sixth-to-last thoracic unciniger with one or combined modifications: elevated notopodia and/or modified notochaeta and/or dorsal ridge.

DESCRIPTION (BASED ON HOLOTYPE AND PARATYPES)

Prostomium trilobed and anteriorly rounded, Ampharete-type, without eyespots. Buccal tentacles apparently smooth (Figure 3B).

Four pairs of long, gradually tapering, cirriform branchiae (Figures 2A,D). No gap between groups of branchiae. First three pairs of branchiophores arranged in a transversal line (inner, middle and outer pairs), forming a high fold, originating from fused SII+III. Fourth pair situated behind between inner and middle pairs, originating from SV (Figure 2D). Diameter of all branchiophores approximately equal. Middle and outer pairs of branchiae with branchiostyles longer and thicker than inner and posterior pairs (Figure 2C). Outer pair longer than remaining ones (Figure 2B).

Middle, outer and fourth pairs of branchiae with smooth branchiostyles.

Branchiostyles of inner pair of branchiae with tufts of cilia arranged in rows forming transversal ciliated ridges (visible in stereomicroscope) along the whole ventral side of the branchiostyle (Figures 4C,D). All branchiostyles presenting minuscule ciliated buttons (visible only under SEM) along their entire surface ( Figures 4E,F). Right branchiostyle of inner pair thicker and longer than the left one. Fourth (posterior) pair of branchiae with thinnest and shortest branchiostyle.

One pair of nephridial papillae, not separated by gap, situated behind the base of innermost pair of branchiae (Figure 2D). Additional pairs of nephridial papillae present behind notopodia of TU1 and TU2 (visible under SEM, Figure 3D). Pygidium with terminal anus, without lateral papillae but with 3-5 dorsal minute folds (Figure 2E).

REMARKS

Anobothrus amourouxi sp. nov. is similar to A. antarctica [START_REF] Monro | Polychaeta[END_REF], A. glandularis (Hartmann-Schröder, 1965), A. mironovi [START_REF] Jirkov | Revision of Ampharetidae (Polychaeta) with modified thoracic notopodia[END_REF], A. paleaodiscus Schüller & Jirkov, 2013and A. patersoni Jirkov, 2008 because they share the following characters: presence of paleae in fused SII+III from SII, four pairs of branchiae, circular band at TU3, 12 TU, modified fifth-to-last TU (TU8) and 12 AU. These species can be separated into two groups based on the presence or absence of notochaetae with hirsute tips at TU8: Group 1: A. paleaodiscus, A. patersoni and A. mironovi with smooth tips, and Group 2: A. amourouxi sp. nov., A. antarctica and A. glandularis with notochaetae with hirsute tips (but only in TU8). However, A. amourouxi sp. nov. and A. antarctica differ from A. glandularis for having both 15 TC and ciliated or papillated branchiae instead of 14 TC and smooth branchiae. Moreover, A. antarctica differs from A. amourouxi sp. nov. by presenting all branchiostyles papillated, from sparse to densely papillated (shaggy), while A. amourouxi sp. nov. presents only the inner pair provided with transversal ciliated ridges. Furthermore, A. antarctica has uncini from TU1 with 4-5 teeth, a large pair of nephridial papillae, and fused SII+III provided with notochaetae from SIII, while A. amourouxi sp. nov. has uncini from TU1 with 6-7 teeth, two groups of nephridial papillae, fused SII+III with reduced notopodia and without notochaetae from SIII. Indeed, in A. amourouxi sp. nov. the reduced notopodia from SIII at fused SII-III presents a row of pores instead of chaetae, a character also observed by [START_REF] Aguirrezabalaga | Deep-sea Ampharetidae (Polychaeta) from Capbreton Canyon (north-east Atlantic) with the description of a new species[END_REF] their figure 7E). These pores might be related to chaetae formation.

Although [START_REF] Imajima | Ampharetidae (Annelida: Polychaeta) from Japan. Part II: Genera with elevated and modified notopodia[END_REF] suggested that the presence of transversal ciliated ridges on branchiae were related to the size of specimens, this could not be verified in A. amourouxi sp. nov. because the two biggest specimens (mature) lost their branchiae. However, no variation linked to age was observed for the other characters described here.

The Anobothrus species reported in the Northeast Atlantic waters are A. gracilis [START_REF] Malmgren | Nordiska Hafs-Annulater. Öfversigt af Kongl[END_REF] and A. patersoni [START_REF] Jirkov | Revision of Ampharetidae (Polychaeta) with modified thoracic notopodia[END_REF]. A. gracilis is a species described from Swedish coasts and has a wide distribution in the Arctic Ocean, North Atlantic Ocean (Iceland to Swedish West coast), and Northwest Pacific Ocean [START_REF] Jirkov | Revision of Ampharetidae (Polychaeta) with modified thoracic notopodia[END_REF][START_REF] Jirkov | Discussion of taxonomic characters and classification of Ampharetidae (Polychaeta)[END_REF][START_REF] Parapar | Diversity and taxonomy of Ampharetidae (Annelida, Polychaeta) from Icelandic waters[END_REF]. A. patersoni is an exclusively abyssal species (3260-8292 m depth) described from North Pacific (Japan) but recorded also in the North Atlantic [START_REF] Jirkov | Revision of Ampharetidae (Polychaeta) with modified thoracic notopodia[END_REF]. In the Capbreton Canyon, [START_REF] Rallo | Fauna macrobéntica de los fondos del cañón de Capbretón: análisis faunístico de poliquetos, crustáceos y cnidarios y caracterización de puntos de muestro según estos descriptores[END_REF] found a single specimen of A. gracilis between 358-410 m, and two incomplete specimens of Anobothrus aff. gracilis were also reported by [START_REF] Aguirrezabalaga | Deep-sea Ampharetidae (Polychaeta) from Capbreton Canyon (north-east Atlantic) with the description of a new species[END_REF], between 624-652 m depth. These records should be taken with caution as incomplete specimens may induce wrong identifications. These specimens might belong to A. amourouxi sp. nov. because A. gracilis share with the new species the possession of 15 TC, fused SII+III with reduced TC without notochaetae from SIII, 12 TU and circular band in TU3.

ETYMOLOGY

This species is dedicated to Dr. Jean-Michel Amouroux (Laboratoire Arago, Observatoire Océanologique de Banyuls-sur-Mer, France) for his friendship and many contributions to French benthic research.

DISTRIBUTION

Specimens of the new species were collected in the Capbreton Canyon muddy bottoms, between 108 and 364 m depth. In the same area [START_REF] Rallo | Fauna macrobéntica de los fondos del cañón de Capbretón: análisis faunístico de poliquetos, crustáceos y cnidarios y caracterización de puntos de muestro según estos descriptores[END_REF] and [START_REF] Aguirrezabalaga | Deep-sea Ampharetidae (Polychaeta) from Capbreton Canyon (north-east Atlantic) with the description of a new species[END_REF] reported Anobothrus gracilis at 358410 m depth and Anobothrus aff. gracilis at 624652 m depth, respectively.

KEY FOR IDENTIFICATION OF THE SPECIES OF THE GENUS ANOBOTHRUS IN THE WORLD

The following key accounts for the 18 species currently considered valid [START_REF] Read | Anobothrus Levinsen[END_REF] plus the new species here proposed. Described species are well distributed in the world ocean, but mainly concentrated in the southern hemisphere, NE Atlantic, Pacific coasts of North America and Japan. Nevertheless gaps still persist in the NW Atlantic, Indo-Malay Philippines archipelago and the coasts of Africa and Australia (Figure 5).

Five species were previously included in the genus Anobothrus but are currently considered invalid or excluded from this genus and thus excluded from the following key. Anobothrus nasuta [START_REF] Ehlers | Reports on the results of dredging, under the Direction of L.F. Pourtalès, during the years 1868-1870, and of Alexander Agassiz, in the Gulf of Mexico (1877-78), and in the Caribbean Sea (1878-79), in the U.S. coast survey steamer "Blake[END_REF], originally described in the genus Amphicteis, is supposed to belong to another genus [START_REF] Jirkov | Revision of Ampharetidae (Polychaeta) with modified thoracic notopodia[END_REF][START_REF] Schüller | New Ampharetidae (Polychaeta) from the deep Southern Ocean and shallow Patagonian waters[END_REF]. [START_REF] Hartman | Atlas of the sedentariate polychaetous annelids from California[END_REF]Anobothrus trilobatus Hartman, 1969 were re-examined by Hilbig (2000) and are presently considered as belonging to the genera Sosanne and Eclysippe, respectively. Finally, Anobothrus nataliae [START_REF] Jirkov | Revision of Ampharetidae (Polychaeta) with modified thoracic notopodia[END_REF]Anobothrus wakatakamaruae Imajima, 2009 are considered junior synonyms of Anobothrus paleatus [START_REF] Imajima | Ampharetidae (Annelida: Polychaeta) from Japan. Part II: Genera with elevated and modified notopodia[END_REF]

Anobothrus occidentalis

Figure 1 .

 1 Figure 1. BIOMIN-3 cruise sampling stations in the Capbreton Canyon showing those with presence (black circles) and absence (grey circles) of Anobothrus amourouxi sp. nov.

  photographed with a Nikon DS-Fi 2 camera. Some specimens were figured with a

First

  two AU of thoracic type. Number of AU generally constant for each species.Abdominal rudimentary notopodia absent.REMARKSThis emended generic diagnosis combines the emended diagnosis proposed by[START_REF] Schüller | New Ampharetidae (Polychaeta) from the deep Southern Ocean and shallow Patagonian waters[END_REF] and[START_REF] Imajima | Ampharetidae (Annelida: Polychaeta) from Japan. Part II: Genera with elevated and modified notopodia[END_REF] which in turn combine previous proposals by[START_REF] Jirkov | Revision of Ampharetidae (Polychaeta) with modified thoracic notopodia[END_REF] and[START_REF] Reuscher | Four new species of Ampharetidae (Annelida: Polychaeta) from Pacific hot vents and cold seeps, with a key and synoptic table of characters for all genera[END_REF]. Here we add the presence of transversal ciliated ridges on branchiae as an additional morphological character in the genus which should be taken into account in species descriptions. Anobothrus amourouxi sp. nov. -1561, incomplete specimen (broken at 9 th AU), one branchial filament lacking and two filaments deciduous, 2.57 mm long and 1.02 mm wide, station C1-INCUB (multicorer) (43°39'48"N, 01°39'09"W), 364 m depth, 7 July 2012. Paratypes: MNHN-1562, complete specimen, all branchiae missing, 12.5 mm long and 1.5 mm wide, station C4-MFC (multicorer) (43°39'48"N, 01°39'09"W), 364 m depth, 16 July 2012; MNHN-1563, four specimens (two complete), 10.3-13.9 mm long and 1.1-1.3 mm wide, all without branchiae, two specimens with oocytes in body cavity, station D (1 specimen collected with Hamon grab, 3 specimens with multicorer) (43°42'00"N, 01°33'27"W), 108 m depth, 7 and 12 July 2012; MNCN-16.01/16069, complete specimen , three branchial filaments lacking, 6.63 mm long and 0.63 mm wide, station C1-INCUB (multicorer) (43°39'48"N, 01°39'09"W), 364 m depth, 7 July 2012; MNCN-16.01/16070, 2 branchiae in a STUB for SEM of the paratype MNCN-16.01/16069; MNCN-16.01/16071, complete specimen in SEM stub (broken at 2 nd AU), all branchiae missing, 8.6 mm long and 1.0 mm wide, station C1-BIOIR (multicorer) (43°39'48"N, 01°39'09"W), 364 m depth, 7 July 2012. ADDITIONAL MATERIAL Six specimens (one complete, 12.5 mm long and 1.5 mm wide), all without branchiae, one specimen with ventral groove, station C (1 specimen collected with Hamon grab, 5 specimens with multicorer) (43°39'48"N, 01°39'09"W), 364 m depth, 7, 12 and 16 July 2012. DIAGNOSIS Inner branchiae with transversal ciliated ridges, other ones smooth. Only modified TU8 provided notochaetae with hirsute tips. Uncini from TU1 with 6-7 teeth in lateral view arranged in two vertical rows in frontal view. Uncini from AU3 with 4-5 teeth in lateral view arranged in three vertical rows in frontal view. SII+III fused with paleae from SII but with reduced notopodia without chaetae from SIII. 15 TC, 12 TU and 12 AU.

Fused

  SII+III with 1216 gradually tapering paleae, longer and larger than the best-developed notochaetae (Figures 2A, D; 3A) from SII. The longest paleae surpassing the prostomium in lateral view. Fused SII+III (Figures 2A; 3A) with reduced notopodia, rounded in shape, hardly visible under the stereomicroscope, located behind the paleae, without chaetae, presenting a row of pores (Figure 3C) from SIII. From SIV (TC2) notopodia well developed with rounded to elongate lobes and well developed notochaetae. Seventeen TS and 15 TC. Twelve TU. TU3 with an anterior whitish band (Figure 2A). Fifth-to-last TU (TC11, TU8) with slightly elevated notopodia connected by a pronounced dorsal ridge (Figures 2A; 3E, F), sometimes as high as notopodial lobe (Anobothrus-type). Abdomen with 12 AU. Neuropodia of first two abdominal uncinigers (AU12) of thoracic type (tori instead of pinnules; Figure 2A). Neuropodial lobe forming pinnules from AU3 to posterior end. Rudimentary notopodia and neuropodial cirri absent. Notochaetae bilimbate. First two thoracic chaetigers (SIVV; TC12) with 3-4 short notochaetae; subsequent chaetigers with 5 long and 4 short notochaetae. Notochaeta longer than notopodial lobe in TU. Notochaetae from modified TU8 with hirsute tips (Figures 2F; 4A). TU1 with 38-48 uncini, pectinate, with 6-7 teeth in lateral view, arranged in two vertical rows in frontal view (Figures 2G; 4B). AU3 with 25-35 uncini, situated in marginal position of neuropodial pinnule, pectinate, with 4-5 teeth in lateral view (Figure 2H), arranged in three vertical rows in frontal view.

Figure 2 .

 2 Figure 2. Anobothrus amourouxi sp. nov., holotype (MNHN-1561): (A) lateral view, specimen incomplete, showing fused SII+III; (B) deciduous branchia from outer (ou) pair; (C) deciduous branchia from middle (mi) pair; (D) anterior region, dorsal view, indicating reduced notopodia at fused segments II+III (arrow), nephridial papillae (np) and pairs of branchiae: (in) inner, (mi) middle, (ou) outer and (4th) fourth pair. Paratype (MNHN-1562): (E) pygidium, ventral view; (F) hirsute tips of notochaeta from modified eighth thoracic chaetiger (TU8). Paratype (MNHN-1563): (G) uncinus from first thoracic uncinigers (TU1), lateral view; (H) uncinus from third abdominal unciniger (AU3), lateral view.

Figure 3 .

 3 Figure 3. Anobothrus amourouxi sp. nov., paratype (MNCN-16.01/16071): (A) anterior end, right lateral view, showing first five thoracic segments (SISV), and first thoracic unciniger (TU1); reduced notopodia (encircled) at fused segments II+III behind the paleae (pal); (B) detail of prostomium and buccal tentacles, lateral view; (C) notopodia of fused segments II+III showing a row of pores (po); (D) TU1 and TU2 showing position of nephridial pores (np); (E) TU8 showing a transversal dorsal ridge (dr); (F) detail of dorsal ridge at TU8.

Figure 4 .

 4 Figure 4. Anobothrus amourouxi sp. nov., paratype (MNCN-16.01/16071): (A) hirsute tips of T8 modified notochaetae; (B) thoracic uncini, upper-frontal view. Paratype (MNCN-16.01/16070): (C-D) basal and median zones of inner ciliated branchia showing the transversal ciliated ridges (tcr) and ciliated buttons (cb); (E-F) median and distal zones of smooth branchiae showing the ciliated buttons (cb).

Fig. 5 .

 5 Fig. 5. World map showing location and depth of type locality of each currently considered valid species of Anobothrus.

- 8 -

 8 9 teeth on uncini from TU1 (lateral view), diameter of all branchiophores more or less equal, less than 10 paleae, very conspicuous stout and long paleae ........ ………………………………………………………………………….A. paleaodiscus -5 teeth on uncini from TU1 (lateral view), fourth pair of branchiophores two times slimmer and shorter than others reduced and their branchiostyles many times shorter than others, paleae longer than best-developed notochaeta, gradually tapering ............................................................................... A. patersoni -5 teeth on uncini from TU1 (lateral view), inner and middle pairs of branchiophores shorter and slimmer than others ................................ A. mironovi 11. 6 teeth on uncini from TU1 (lateral view), surface of branchiostyle smooth, thoracic arrangement (fused SII-III with paleae from SII and without notochaetae from SIII) ..................................................................... A. glandularis -4-5 teeth on uncini from TU1 (lateral view), surface of all branchiostyles papillated, thoracic arrangement (fused SII-III with paleae from SII and notochaetae from SIII) ....................................................................... A. antarctica -6-7 teeth on uncini from TU1 (lateral view), surface of inner pair of branchiostyle with transversal ciliated ridges, thoracic arrangement (fused SII-III with paleae from SII and with reduced notopodia without notochaetae from SIII) ........................................................................................... A. amourouxi sp. nov.

  . 1. No paleae ............................................................................................................ 2 -Paleae present .................................................................................................... 3 2. Modified notopodia with hirsute tips notochaetae .............................. A. fimbriatus -All notopodia without hirsute tips notochaetae .................................. A. apaleatus 3. 3 pairs of branchiae ............................................................................................. 4 -4 pairs of branchiae ...........................................Notochaetae present on fused segments II-III, prostomium Ampharete-type, branchiae forming transversal line ........................................................ A. laubieri -Notochaetae absent on fused segments II-III, prostomium conical, wide gap between groups of branchiae ..................................................................... Modified notopodia on TU7 .................................................................. A. mancus -Modified notopodia on TU8 ................................................................................. 7 -Modified notopodia on TU9 ................................................................. A. paleatus 7. Circular band on TU1 .................................................................... A. patagonicus -Circular band on TU2 (modified notochaetae without hirsute tips) ...................... 8 -Circular band on TU3 .......................................................................................... 9 Only the modified notopodia with notochaetae with hirsute tips ........................ 11 -All notopodia with notochaetae with hirsute tips .................................... A. gracilis 10. 3 teeth on uncini from TU1 (lateral view), paleae abruptly tapering to delicate tip ……………………………………………………………………A. pseudoampharete

.................................................. 6 4. Modified notopodia on TU8 ................................................................................. 5 -Modified notopodia on TU9 ........................................................ A. flabelligerulus 5. A. dayi 6. Modified notopodia on TU6 ........................................................... A. bimaculatus -8. Paleae colourless, fine, with base slimmer than (or equal to) most developed notochaetae, outer pairs of branchiae distinctly narrower than inner, 12-13 AU .. ………………………………………………………………………………..A. wilhelmi -Paleae reddish, stout, with base stouter than most developed notochaetae, branchiae with almost the same diameter, 13 AU ...................... A. rubropaleatus 9. Modified notopodia without notochaetae with hirsute tips ................................. 10 -

ACKNOWLEDGMENTS The authors would like to thank the crew members of the R/V Côtes de la Manche (CNRS-INSU) and all people involved in the field sampling and sample processing, especially A. Roméro-Ramirez, O. Maire and M. Richard. We are very grateful to A. Grémare and B. Deflandre, coordinators of the BIOMIN Project. Thanks are also due to A. Castro and C. Sueiro (SAIN, UDC) who assisted with the preparation of specimens and the use of the SEM. FINANCIAL SUPPORT This work was partly funded by the French EC2CO-PNEC and LEFECYBER programmes through the BIOMIN project. It is part of the PhD Thesis of P. Bonifácio who was funded by the "Agence de l'Eau Corse-Méditerranée" (convention n°2010 0871), the "Agence des Aires Marines Protégées" (Marché N° 2009-AAMP-16; Lot N°9; ASCONIT/GIS Posidonie), LECOB (UMR CNRS -UPMC) and EPOC (UMR CNRS -Université Bordeaux 1).


Moisés Teles
email: moises.teles@usp.br

LSCP / Santos

Cesq

Vincent Gerbaud

Galo A C Le Roux

Santos

Keywords: computer-aided design, fatty acids, modeling, triacylglycerols, vegetable oils

Beyond biofuels: economic opportunities, recent

Introduction

The social claims for "green products" and the environmental regulations have settled an agenda for industry and academic researchers to improve the use of waste and agricultural resources to develop new products. Among these resources, vegetable oils (VOs) are of great importance in terms of the technological issues and strategic policies about land usage, food security, biofuels production and others non-food applications. Experimental studies have evaluated the potential of VOs as a raw material in the synthesis of fine chemicals and polymers. New opportunities are also rising, as effort grows towards the use of agricultural resources in the synthesis of products classically derived from petrochemical molecules. The objective of this work is to briefly discuss the opportunities for the Green Process Engineering community in applying the emerging experimental and modeling tools to improve the use of VOs in the design of products with enhanced environmental and physical properties. The current scenario of world market, the opportunities arising from the biodiversity, the classical uses and emerging technologies, the technological challenges and the role of computational tools in product development are briefly discussed as well.

Environmental and economic drivers

VOs are less toxic, less polluting and harmless to the environment. They have advantageous environmental-healthsafety (EHS) properties, such as a good biodegradability, a low volatility and a high flash point. This is particularly important in applications where mineral oils show drawbacks in these properties (e.g., surface coatings). Their use for biofuels has attracted a considerable attention from the scientific community (experimental and modeling). The importance of bio-based fuels for energy policy is well-recognized. However, there is a majority of industrial uses other than biofuels needing improvements in processes, products and methods. Despite the sharp growth rate for biodiesel production in the last few years, there is a well established and large industry that uses VOs for other purposes. Among them, the use of edible oils for foods remains very important. The OECD-FAO [1] indicates that the share of VO consumption used for world biodiesel production is expected to increase from 12% in 2011-2013 to 14% in 2023. In other words, VO consumption for non-biofuel uses is expected to correspond to 86% of the world VO production in 2023 (Figure 1), with a high share of edible oils used as food. According to the Food and Agriculture Organization (FAO) of the United Nations, the major driving force on the demand side in recent years has been the non-food use of VOs (paints, detergents, lubricants, oleochemicals in general and biodiesel) with China and the European Union being major contributors to this growth [START_REF] Alexandratos | World agriculture towards 2030/2050: the 2012 revision[END_REF]. Therefore, a well-settled and large demand for other fat-based products rather than biodiesel exists, with the particular technological and scientific

challenges not yet fully addressed.

In developing countries, such as China and India, the rapid growth of VOs consumption for food has been responsible in a large extend for the increases achieved in their total food consumption (national averages kcal/person/day). VOs still have significant scope for consumption increases in most developing countries to achieve food security [START_REF] Alexandratos | World agriculture towards 2030/2050: the 2012 revision[END_REF]. The biofuel demand also increases, although there are some projections that the boost to the oilseeds sector coming from biofuels may be weakening over time and could level off in the long term (2020) [START_REF] Alexandratos | World agriculture towards 2030/2050: the 2012 revision[END_REF]. In summary, one has the following issues regarding the world VOs market: -Demand pressure for food: population and economic growth in developing countries. -Demand pressure for industrial uses: paints, detergents, lubricants, oleochemicals in general and biodiesel.

-Agricultural land expansion, water usage, ecological footprint of the whole chain of production. -Concentration of production in a small number of crops and countries.

To better address these issues, technology (at all levels of product and process design) plays a central role. As discussed in the following section, exploring the diversity of feedstocks can open opportunities for the local economy development and to overcome the current concentration of production.

Feestocks variability

The VOs market is characterized by the concentration of production growth in a small number of crops and countries. Three oil crops (palm, soybeans and rapeseed) account for 69% of the world production and they provide 82% of the total increment in the world oil crop production since 1990. Also, a great part of the increases in these oil crops production comes from a small number of countries (Brazil, Argentina, United States, China, India, Malaysia, Indonesia, Canada and EU) [START_REF] Alexandratos | World agriculture towards 2030/2050: the 2012 revision[END_REF]. However, there are much more feedstocks underexploited. In a recently developed computational database for the storage, search and retrieve of physico-chemical properties of VOs [START_REF] Oliveira | Anais do XX Congresso Brasileiro de Engenharia Química[END_REF], more than one hundred feedstocks have been identified, but the total number of entries of oilseeds, vegetable fats and fruit-kernel oils can be over 300. The biodiversity offers a great variability of feedstocks, with different physical properties and multiple possibilities of blends. Figure 2 shows a snapshot of the very first and final examples sorted in alphabetical order. To look for alternative and highly productive feedstocks to meet future demand for biofuels, chemicals and food seems, therefore, reasonable. Despite the large variability in feedstocks, some issues must be taken into account concerning their advantages, limits and viability. Elbehri et al. [START_REF] Elbehri | Biofuels and The Sustainability Challenge: A Global Assessment of Sustainability Issues, Trends and Policies for Biofuels and Related Feedstocks[END_REF] discuss that despite the advantages of biofuel investments for rural development, "... obstacles to biofuel growth remain in developing countries: lack of qualified labor, basic infrastructure and the investment capital needed to develop feedstock supply chains". Land acquisition for large scale biofuel projects and the potential conflict with traditional land rights, access and use are also issues to be aware of [START_REF] Elbehri | Biofuels and The Sustainability Challenge: A Global Assessment of Sustainability Issues, Trends and Policies for Biofuels and Related Feedstocks[END_REF]. We believe that these issues also concern the use of VOs for other purposes other than biofuels. However, the opportunities to develop local economies by exploring potential oilseed crops and underexploited feedstocks remain. The biodiversity of oilseed plants in developing regions, such as northeast Brazil or the Amazonian region has attracted attention. Many studies are being undertaken to evaluate the production potential of oil plants and also to characterize their physical properties, oil yield and fatty acid profiles for food, energy or oleo chemicals requirements. Some examples are:

Northeast Brazil: Anemopaegma laeve, Pyrostegia venusta, Tabebuia impetiginosa, Oiticica (Licania rigida Benth), Buriti (Mauritia flexuosa L.), Macaúba (Acrocomia aculeata), Babaçu (Orbignya phalerata), Pequi (Caryocar brasiliense) and Tucumã (Astrocaryum aculeatum Meyer) [START_REF] Pinho | [END_REF][START_REF] Bergmann | Renew. Sustain[END_REF].

Amazonian region: Brazil nut (Bertholletia excelsa), andiroba (Carapa guianensis), cupuaçu (Theobroma grandflorum), murumuru (Astrocaryium murumuru), passion fruit (Passiflora spp.) and ucuba (Virola sebifera) are examples of the many Amazonian vegetal species. Their oils and fats have found applications as nutritional, pharmaceutical, cosmetic, painting, and additive products [7,8].

The biodiversity can offer opportunities to overcome the gap between the food and biofuels needs and expected main plant oils harvests. The technological improvements in the oil yields per hectare also play a central role in the land expansion issue. According to FAO [START_REF] Alexandratos | World agriculture towards 2030/2050: the 2012 revision[END_REF], land expansion continues to play an important role in the growth of crop production. The land-intensive nature of oil crops imposes an environmental debate about land expansion and its consequences in forest or other ecologically valuable areas. As there is no costless resource, the debate about growth of the VOs production and its environmental impact must be enriched by including these issues.

Vegetable oils in industry: classical uses and emerging technologies

VOs are used in foods, biofuels, soaps, lubricants, cutting-fluids, surfactants, printing inks, solvents, paints/ coatings, varnish, plasticizers, insulating fluid, and as a lipidic medium in which cosmetic and pharmacological fine chemicals are dispersed. Beyond these classical uses, new applications can be found through four main categories: 1) Direct use of VOs; 2) Modification of the triacylglycerols (TAGs) profile; 3) Use of glycerol as a platform for green chemicals and 4) Use of fatty acids as a platform for green chemicals. In the following sections, we briefly point out some aspects related to each one.

Direct use of vegetable oils

This can be of two types. The first one is to find new applications for known VOs. For example, soybean oil, the second most produced VO, is traditionally used in foods and personal care applications among others and has also a great potential to be used in lubricants [9]. Many VOs have also been applied as corrosion inhibitors and polymeric binders in coatings [10].

The second type consists in finding alternative VOs/ fats for a given application. The search for cocoa butter equivalents (CBE) is an example of this approach, in which the desired physical properties of cocoa butter are sought among other fats/oils mixtures [11].

Considering the large variety of feedstocks, it is reasonable to think that tailored blends could well provide alternatives solutions. However, the number of possible blends is extremely large and, as it will be discussed in the next sections, computational tools can be useful to cope with the large combinatorial problems for product design.

Modification of the triacylglycerols profile

VOs are mainly composed by TAGs. More than the fatty acid composition, it is the TAG composition (how the fatty acids are distributed in the glycerol structure) that controls the properties of VOs [12]. Figure 3 shows the typical molecular structure of fatty acids and TAGs. The demand for more sophisticated products increases and the simple physical mixture of VOs is not sufficient for matching the desired properties [13]. Other physical (fractionation) and chemical (hydrogenation, interesterification) processes can be used to change the TAG composition and then modify the physical properties of the initial raw materials.

In the food industry, the hydrogenation process has been associated with negative nutritional effects on consumers' health due to the formation of trans fatty acids. In this scenario, the chemical interesterification emerged as a useful technique to change physical properties of VOs blends for food development. This reaction uses catalysts (sodium methoxide, sodium metal) and heat to promote a random distribution of fatty acids among the three positions of the glycerol backbone (sn-1, sn-2 and sn-3, Figure 3). On the other hand, enzymatic interesterification uses regioselective lipases under mild reaction conditions to affect only specific positions of the glycerol backbone. Table 1 shows some different scales of study concerning vegetable oils and the corresponding research topics with some references. Not being exhaustive, this short list gives just a few examples for further reading.

Structured lipids are tailored TAGs, restructured by chemical or enzymatic reactions to change the stereochemical positions of fatty acids on the glycerol structure. The aim is to improve the nutritional or therapeutic properties for functional foods, while keeping the physical characteristics within the desired range [33]. Mediumlong-medium (MLM) and conjugated linoleic acids (CLA) TAGs are recognized for their improved nutritional characteristics. MLM has medium chain fatty acids (MCFA) (C6-C12) in stereo positions sn-1 and sn-3 of the glycerol backbone and functional long-chain polyunsaturated fatty acids (PUFA) in position sn-2. The CLA is a general term for the positional and geometric isomers of the octadecadienoic acid with conjugated double bonds at carbon atoms 9/11 or 10/12 [36].

Use of glycerol as a platform for green chemicals

Glycerol (a by-product in the production of some biofuels) can be a platform chemical for a great variety of specialty chemicals. One example is the synthesis of propanediol, epichlorohydrin and acrylic acid. These compounds, classically synthesized by petrochemical based routes (using propene), are used, respectively, for the production of polymers, epoxy resins and various plastics, coatings, adhesives and elastomers. These chemicals can also be synthesized using glycerol as the starting material [26,27]. Currently, can be synthesized from glycerol in one reaction step, whereas the petrochemical one uses two reaction steps. The glycerol-based route also avoids the carcinogenic intermediate propylene oxide [26].

Glycerol carbonate has also a large potential as a novel component of gas-separation membranes, solvent and biolubricant [28,29]

Use of fatty acids as a platform for green chemicals

The fatty acids present in VOs can be also used as starting materials for the synthesis of value-added chemicals. Double bonds present in some fatty acids represent suitable reactive sites. Fatty acids are a rich source of monomers that can be chemically functionalized to make biosourced polymers, such as diacids, polyacids, diols, polyols, diamines, polyamines, hydroxy acids, amino acids, polyaldehydes, vinyl compounds and polyurethanes [30]. Indeed, polyurethanes are one of the most promising area of interest of functionalized VOs/fatty acids and there are different synthesis routes for polyols at research or commercial stage, such as transesterification, hydroformylation, ozonolysis and thiol-ene coupling [30,31]. There is a great variety of fatty acids (and consequently, a great variety of possible monomers) and this opens opportunities to polymers having new and enhanced properties. Besides polymers, coating for wood surfaces, PVC plasticizers, lubricants, surfactants and personal care products are also examples of products where fatty acids can be used.

Technological challenges

Synthesis routes and performance of new chemicals

Apart from the eco-friendly sound of bio-based chemicals, important issues related to synthesis and performance must also be considered. Regarding synthesis of VO-based products, toxic and hazardous co-reactants are still needed in some cases (e.g., isocyanate in the production of polyurethanes from VOs [31]). The use of hazardous solvents, the energy consumption, the cost and the by-products generation must be considered as well. In this context, the use of catalysts (enzymes) offers a potentially cleaner and more energy-efficient production than conventional chemical processes in oleochemistry [32]. The enzymatic route can lead to fewer by-products, simpler product recovery, less waste generation and higher yields. However, further developments in suitable enzymes that are not commercially available are necessary. This can involve genetic modifications on the organism that produces the enzyme to improve enzyme activity and stability under the process conditions [32].

The performance of the new chemicals at usage conditions is another important issue. Although VOs have advantageous properties (e.g., biodegradability, low volatility, high flash point), there are also drawbacks that must be overcome. The main issues limiting the use of VOs as industrial fluids are their low thermal and oxidation stability and poor low-temperature properties (as fatty acids and TAGs crystallize easily). Current studies aim to improve oxidation and low temperature stability; however, a generalized approach improving the overall performance of VOs as industrial fluids is still lacking [37].

In this context, the use of additives and the modification of the chemical structure of VO are an alternative. As an example, ethylene-vinyl acetate copolymer and ethyl cellulose have been tested to improve the thermal stability and to increase the viscosity range of different VOs [38].

Experimental measurements

The availability of experimental data is critical for process and/or product modeling, simulation and design. If the computational tools traditionally used in the chemical/ petrochemical industry is to be used in the oil and oleochemical industry, the physico-chemical properties of lipid compounds present in VOs must be known. Natural VOs can be formed by dozens of different chemical species, such as acylglycerols (mono, di and triacylglycerols), free fatty acids, tocopherols, sterols, carotenes and minor compounds. The accurate separation, purification and identification of all lipid compounds are a difficult task. Bulk physical properties can be measured (e.g., viscosity, density, solid fat content) but the measured data of the pure components are still scarce when compared to other chemicals. If we consider just the TAGs part of the mixtures, uncertainties arise even from HPLC analysis. According to Lida et al. [START_REF] Lida | [END_REF], many TAGs cannot be identified due to the lack of standards and the fact that TAGs with equivalent carbon numbers are very similar, thereby making their identification (based on relative retention times), difficult and uncertain. The lack of data is even more pronounced for temperature dependent properties (e.g., viscosity, vapor pressure, density, heat capacity and superficial tension). In such cases, it is difficult to obtain pure component data in a large range of temperatures.

Recent efforts have been made in order to compile and classify the chemical structures, physical and biological properties of different classes of lipids in a computational database. Examples are the LIPID BANK [START_REF] Watanabe | Trends Glycosci[END_REF], the LIPIDAT [40,41], the LIPID MAPS Structure Database (LMSD) [42] and the CAPEC Lipids Database [43]. Experiments are costly and time-consuming but experimental data form the basis of prediction models and parameter regressions.

Property models

Traditional group contribution (GC) methods, connectivity index and UNIFAC methods have been recently adapted to cover lipid systems [44][45][START_REF] Cunico | Fluid Phase Equilib[END_REF][START_REF] Cunico | [END_REF][48]. These improvements rely on the revision of GCs parameters using a lipid database containing different classes of lipids (fatty acids, fatty esters, acylglycerols) and their experimental thermophysical properties. Therefore, they are strongly related to the previous experimental challenge, in particular for TAGs. As commented by Prausnitz et al. [START_REF] Poling | The Properties of Gases and Liquids[END_REF], we cannot get something from nothing, and predictive methods will continue to be dependent on reliable experimental data.

These new predictive models have the advantage that their parameters have been regressed using only lipids properties and they are expected to perform better than former general GC methods. Figure 4 shows a general methodology for depicting a molecule into functional groups, allowing to develop and use GC models. This computational representation was implemented by some of the authors [START_REF] Heintz | [END_REF] to deal with bio-solvent design. In this approach, the SMILES notation of a molecule is automatically converted into a matrix (molecular graph) in which the atoms and bonds are identified.

Though the origins of current GC methods are over 50 years, lipid-based models have only recently been developed, as mentioned above. These improvements on thermophysical properties and mixture models have so far been mainly focused on improving the design of biorefinery processes through computational simulations. However, they are also useful for the design of products using VOs. Flöter [51] highlighted the importance of the melting point, the heat of fusion and of the solubility for food product development using fats. Crystallization (polymorphisms in solid state, kinetics of polymorphic transitions) and the resulting crystal habit and size are also of great importance for product development. In this context, modeling can help to design better experiments during the search for product solutions [51].

For product design, mixture models must include equilibrium models, in particular solid-liquid equilibrium (SLE), since many end-user properties (texture, creaminess, plasticity) depend on the careful control of the solid fat content (SFC).

In VOs, many properties are determined not only by the molecular structure but also by the crystalline arrangement between molecules, since TAGs can solidify in different crystals packing (polymorphism). The problem of SLE modeling has been addressed using different chemical species normally found in VOs (Figure 5). Even non-equilibrium (time-dependent) properties play an important role in products using VOs. This is the case of the kinetic of crystallization which influences the crystals shape and size that ultimately set the sensorial performance of fatty food products.

The polymorphism (crystals morphology) in the solid state (not covered by conventional GC methods) must be considered when designing tailored fat-based foods. The so-called topological indices can offer opportunities to improve description at this level, as they are able to predict properties with higher accuracy than simple GC techniques, taking into account three-dimensional steric effects [52]. Some powerful molecular dynamics models can also be found in literature [53], but these models remain time consuming and not suitable for large multicomponent problems.

Thermodynamic models can be found for pure, binary and ternary mixtures [54][55][56] and for multi-component mixtures [12,[START_REF] Wesdorp | Phase Equilibria in Fats[END_REF][START_REF] Won | [END_REF]. The solid-liquid diagrams of various fatty mixtures are still unknown or were published with limited information, although such phase diagrams are a powerful tool for product development [59,60]. More empirical or semi-empirical methods, such neural networks [61] and different correlations, have also been used [62][63][64] aiming to predict the solid-liquid behavior in such mixtures. A broader and deeper review of the SLE problem can be found in Maximo et al. [60].

Life cycle analysis for new chemicals and raw materials

The life cycle analysis (LCA) has already been applied to biofuels production [65] and to the VO production step [66]. This holistic approach should be also extended for evaluating alternative uses of VOs. The goal is a broader knowledge of their impact on the environment and health. LCA must be used in the VOs crop as well as in the industrial production of the emerging chemicals derived from them. Indeed, when the whole chain of the processes involved is considered, unexpected conclusions can emerge. Törnvall and Hatti-Kaul [32]studied a comparative LCA of various wood coating products; they concluded that a fossil feedstock-based coating was the most favorable with respect to many environmental categories (global warming, acidification, eutrophication and photochemical ozone). The lower environmental performance of the wax esters coatings based on VOs was mostly due to the negative effects of the rapeseed oil cultivation stage. This example demonstrates that a holist approach (like LCA) is necessary to measure the real impacts when comparing renewable and fossil feedstocks. The agricultural phase also imposes environmental constraints that must be considered (use of fertilizers, pesticides, steel for machines, land use, among others). As different VOs have different agricultural characteristics, it is important to consider that various crops can lead to diverse environmental performances. The diversity of raw materials and the multiple ways to them is a driver to computer-aided tools, as discussed in the following section.

Computer-aided approach for product design

Product development consists in finding the mixtures ingredients and their ratios. It is usually time and economically consuming. Statistical and mathematical techniques improve experiments, allowing a better understanding of how variables affect a target response and the interaction among them (e.g., Response Surface Methodology, Principal Component Analysis, D-optimal, G-optimal). In a scenario of opened market opportunities, the need for faster and costless procedures favors the use of computer-aided tools, promoting as a side effect the generation, storage, search and retrieve of relevant data for process and product design model development.

Computer-aided molecular design (CAMD) has emerged as a promising method of generating or searching in a database for molecules and/or mixtures satisfying a desired set of properties defined a priori. This approach relies strongly in the availability and quality of property prediction methods. Property methods are not a novelty, but only recently predictive models for lipidbased systems have emerged (as discussed earlier). The CAMD method (used in solvents, polymers, refrigerants and pharmaceuticals design) must be extended to the design of value-added products derived from VOs, taking advantage of the recent progress in property prediction methods. As the number and quality of experimental data increase, one should shift from statistical approaches to more phenomenological models. As property methods are improved, more CAMD works (like that of Camarda and Sunderesan [52] and Heintz et al. [START_REF] Heintz | [END_REF]) can be performed.

Thus, the technological pathway for improving the use of computational tools in the VOs industry should include the three main integrated and dependent steps illustrated in Figure 6, each one having their own benefits, limitations and challenges.

The use of models and computational tools can lead to a scenario with a "dynamic data evaluation" as discussed by Frenkel [67]. In this approach, chemical process and product design is improved by a data-expert system software able to search, retrieve and fill data gaps on property data.

Each VO has its own fatty acid and TAG profile. The changes in composition mean changes in physical properties, leading to a large combinatorial number of possibilities when choosing the right formulation for a given application. Computational tools can be useful to handle the biodiversity of VOs and to cope with this combinatorial problem.

Concluding remarks

Improving the use of VOs is a multidisciplinary task, involving biology, chemistry, computer sciences, thermodynamics and economy expertise. The large biodiversity, the green agenda, the emerging experimental works and modeling tools should be integrated with the help of computational approaches. This implies the use of tools not available when the traditional petrochemical industry was first developed, such as web-based, storage and communication tools that can improve the whole cycle of process and product development using VOs as sources of greener solutions.

Figure 1

 1 Figure 1 Share of vegetable oil consumption used for biodiesel production. Source: OECD-FAO [1].

Figure 2

 2 Figure 2 Reduced table of compiled feedstocks for oilseeds, vegetable fats and fruit-kernel oils.

Figure 3

 3 Figure 3 Molecular representation of vegetable oils chemical species (triacylglycerols, fatty acids and glycerol).

Figure 4

 4 Figure 4 Molecular representation and computational representation of group contribution models for property predictions.

Figure 5

 5 Figure 5 The solid-liquid equilibrium problem in some lipids and examples of strategies to cope with it.

Figure 6

 6 Figure 6 Technological pathways for improving computer-aided tools for the vegetable oils industry.

Table 1

 1 Research areas and corresponding references examples in each level of representation of Figure 3.

		Vegetable oils	Modification of the	Fatty acids/glycerol
			triacylglycerols profile
	Scope	Uses, main crops, composition,	Interesterification (experimental	Platform
		physical properties, refining	and modeling), change in	chemicals,nutritional
		process, analysis.	physical properties, blends.	aspects, structured lipids.

Acknowledgments:

We acknowledge the financial support received from CAPES (Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Brazil), project CSF 057/2012. The authors wish to thank the anonymous reviewers for the helpful comments on the manuscript.

Bionotes Moisés Teles dos Santos

Moisés Teles dos Santos is a postdoctoral fellow in the Chemical Engineering Department of the University of São Paulo (Brazil). He obtained his PhD in Process Engineering at the Institut National Polytechnique de Toulouse (France) and at the University of São Paulo. His current research interest includes the development of models and computational tools for product design using biomass, covering bio-solvents and vegetable oil-based products. On the process level, his main interest is in the sustainability analysis of industrial systems using entropy analysis.

Vincent Gerbaud

Vincent Gerbaud is a research director at the French National Scientific Research Center CNRS at the Laboratoire de Génie Chimique in Toulouse. His field of research concerns modeling and simulation in process system engineering, with a strong interest in small scale modeling: molecular simulation, thermodynamics, computer-aided molecular and mixture design. At the process scale, he also focuses on the design and synthesis of distillation processes, for example, extractive and azeotropic distillation.

Galo A.C. Le Roux

Galo A.C. Le Roux obtained his PhD in Process Engineering at the Institut National Polytechnique de Toulouse in 1995. He is a full Professor at the Polytechnic School of the University of São Paulo (Brazil). He works in process modeling, simulation, synthesis and control with emphasis on parameter estimation and system identification (inverse problems). The domains of application cover a wide range of problems in biotechnology, petroleum, petro chemistry, environmental chemistry, specialty chemicals, photochemistry and food. His research ranges from industrial plant operation to elementary reaction mechanisms.