The Information Needs of Virtual Users: A Study of Second Life Libraries

ERIC Educational Resources Information Center

Chow, Anthony S.; Baity, C. Chase; Zamarripa, Marilyn; Chappell, Pam; Rachlin, David; Vinson, Curtis

2012-01-01

As virtual worlds continue to proliferate globally, libraries are faced with the question of whether to provide information services to virtual patrons. This study, utilizing a mixed-method approach of interviews, focus groups, and surveys, represents one of the largest studies of virtual libraries attempted to date. Taking a holistic perspective,…

Library Virtual Tours: A Case Study

ERIC Educational Resources Information Center

Ashmore, Beth; Grogg, Jill E.

2004-01-01

Virtual tours delivered via the Web have become a common tool for both instruction and outreach. This article is a case study of the creation of a virtual tour for a university library and is intended to provide others interested in creating a virtual tour of their library the opportunity to learn from the mistakes and successes of fellow…

Assessing Library Automation and Virtual Library Development in Four Academic Libraries in Oyo, Oyo State, Nigeria

ERIC Educational Resources Information Center

Gbadamosi, Belau Olatunde

2011-01-01

The paper examines the level of library automation and virtual library development in four academic libraries. A validated questionnaire was used to capture the responses from academic librarians of the libraries under study. The paper discovers that none of the four academic libraries is fully automated. The libraries make use of librarians with…

Electronic Library: A TERI Experiment.

ERIC Educational Resources Information Center

Kar, Debal C.; Deb, Subrata; Kumar, Satish

2003-01-01

Discusses the development of Electronic Library at TERI (The Energy and Resources Institute, New Delhi). Highlights include: hardware and software used; the digital library/Virtual Electronic Library; directory of Internet journals; virtual reference resources; electronic collection/Physical Electronic Library; downloaded online full-length…

Academic Library Services in Virtual Worlds: An Examination of the Potential for Library Services in Immersive Environments

ERIC Educational Resources Information Center

Ryan, Jenna; Porter, Marjorie; Miller, Rebecca

2010-01-01

Current literature on libraries is abundant with articles about the uses and the potential of new interactive communication technology, including Web 2.0 tools. Recently, the advent and use of virtual worlds have received top billing in these works. Many library institutions are exploring these virtual environments; this exploration and the…

Academic Library Consortia in Transition.

ERIC Educational Resources Information Center

Alberico, Ralph

2002-01-01

Using the example of the Virtual Library of Virginia, describes how library consortia are in a state of transformation as technology enables the development of virtual libraries while expanding opportunities for sharing printed works. (EV)

A rural virtual health sciences library project: research findings with implications for next generation library services.

PubMed

Richwine, M P; McGowan, J J

2001-01-01

The Shared Hospital Electronic Library of Southern Indiana (SHELSI) research project was designed to determine whether access to a virtual health sciences library and training in its use would support medical decision making in rural southern Indiana and achieve the same level of impact seen by targeted information services provided by health sciences librarians in urban hospitals. Based on the results of a needs assessment, a virtual medical library was created; various levels of training were provided. Virtual library users were asked to complete a Likert-type survey, which included questions on intent of use and impact of use. At the conclusion of the project period, structured interviews were conducted. Impact of the virtual health sciences library showed a strong correlation with the impact of information provided by health sciences librarians. Both interventions resulted in avoidance of adverse health events. Data collected from the structured interviews confirmed the perceived value of the virtual library. While librarians continue to hold a strong position in supporting information access for health care providers, their roles in the information age must begin to move away from providing information toward selecting and organizing knowledge resources and instruction in their use.

Virtual Reality and the Virtual Library.

ERIC Educational Resources Information Center

Oppenheim, Charles

1993-01-01

Explains virtual reality, including proper and improper uses of the term, and suggests ways that libraries might be affected by it. Highlights include elements of virtual reality systems; possible virtual reality applications, including architecture, the chemical industry, transport planning, armed forces, and entertainment; and the virtual…

Virtual Reference Transcript Analysis: A Few Models.

ERIC Educational Resources Information Center

Smyth, Joanne

2003-01-01

Describes the introduction of virtual, or digital, reference service at the University of New Brunswick libraries. Highlights include analyzing transcripts from LIVE (Library Information in a Virtual Environment); reference question types; ACRL (Association of College and Research Libraries) information literacy competency standards; and the Big 6…

The road to virtual: the Sauls Memorial Virtual Library journey.

PubMed

Waddell, Stacie; Harkness, Amy; Cohen, Mark L

2014-01-01

The Sauls Memorial Virtual Library closed its physical space in 2012. This article outlines the reasons for this change and how the library staff and hospital leadership planned and executed the enormous undertaking. Outcomes of the change and lessons learned from the process are discussed.

Tribal Colleges Gaining Digital Access to Worldwide Library Resources.

ERIC Educational Resources Information Center

Ambler, Marjane

2000-01-01

Discusses the tribal college virtual library project aimed at bringing digital opportunity to American Indian reservations by way of the 32 tribal colleges and universities in the American Indian Higher Education Consortium. Describes Bay Mills Community College's (Michigan) prototype virtual library and the expansion of this virtual library…

Design of focused and restrained subsets from extremely large virtual libraries.

PubMed

Jamois, Eric A; Lin, Chien T; Waldman, Marvin

2003-11-01

With the current and ever-growing offering of reagents along with the vast palette of organic reactions, virtual libraries accessible to combinatorial chemists can reach sizes of billions of compounds or more. Extracting practical size subsets for experimentation has remained an essential step in the design of combinatorial libraries. A typical approach to computational library design involves enumeration of structures and properties for the entire virtual library, which may be unpractical for such large libraries. This study describes a new approach termed as on the fly optimization (OTFO) where descriptors are computed as needed within the subset optimization cycle and without intermediate enumeration of structures. Results reported herein highlight the advantages of coupling an ultra-fast descriptor calculation engine to subset optimization capabilities. We also show that enumeration of properties for the entire virtual library may not only be unpractical but also wasteful. Successful design of focused and restrained subsets can be achieved while sampling only a small fraction of the virtual library. We also investigate the stability of the method and compare results obtained from simulated annealing (SA) and genetic algorithms (GA).

Virtual screening methods as tools for drug lead discovery from large chemical libraries.

PubMed

Ma, X H; Zhu, F; Liu, X; Shi, Z; Zhang, J X; Yang, S Y; Wei, Y Q; Chen, Y Z

2012-01-01

Virtual screening methods have been developed and explored as useful tools for searching drug lead compounds from chemical libraries, including large libraries that have become publically available. In this review, we discussed the new developments in exploring virtual screening methods for enhanced performance in searching large chemical libraries, their applications in screening libraries of ~ 1 million or more compounds in the last five years, the difficulties in their applications, and the strategies for further improving these methods.

Virtual Libraries and Education in Virtual Worlds: Twenty-First Century Library Services

ERIC Educational Resources Information Center

Bell, Lori; Lindbloom, Mary-Carol; Peters, Tom; Pope, Kitty

2008-01-01

As the use of the Internet and time spent on the Internet by individuals grows, and the use of virtual worlds like Active Worlds and Second Life increases, the library needs to have an interactive place and role in these worlds as well as a bricks and mortar space. This article provides an overview of what some libraries are doing in these worlds,…

A Virtual "Hello": A Web-Based Orientation to the Library.

ERIC Educational Resources Information Center

Borah, Eloisa Gomez

1997-01-01

Describes the development of Web-based library services and resources available at the Rosenfeld Library of the Anderson Graduate School of Management at University of California at Los Angeles. Highlights include library orientation sessions; virtual tours of the library; a database of basic business sources; and research strategies, including…

Rethinking Virtual Reference

ERIC Educational Resources Information Center

Tenopir, Carol

2004-01-01

Virtual reference services seem a natural extension of libraries digital collections and the emphasis on access to the library anytime, anywhere. If patrons use the library from home, it makes sense to provide them with person-to-person online reference. The Library of Congress (LC), OCLC, and several large library systems have developed and…

Development of the V4.2m5 and V5.0m0 Multigroup Cross Section Libraries for MPACT for PWR and BWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Kang Seog; Clarno, Kevin T.; Gentry, Cole

2017-03-01

The MPACT neutronics module of the Consortium for Advanced Simulation of Light Water Reactors (CASL) core simulator is a 3-D whole core transport code being developed for the CASL toolset, Virtual Environment for Reactor Analysis (VERA). Key characteristics of the MPACT code include (1) a subgroup method for resonance selfshielding and (2) a whole-core transport solver with a 2-D/1-D synthesis method. The MPACT code requires a cross section library to support all the MPACT core simulation capabilities which would be the most influencing component for simulation accuracy.

Factors Influencing Virtual Patron Satisfaction with Online Library Resources and Services

ERIC Educational Resources Information Center

Tyler, Katherine; Hastings, Nancy B.

2011-01-01

College students are accessing virtual libraries whether they are on campus or learning from a distance. Academic institutions serving virtual patrons must remain focused on meeting the needs of those library users by continually examining their preferences, their searching behavior, and the information they seek. The purpose of this research was…

Factors Influencing Virtual Patron Satisfaction with Online Library Resources and Services

ERIC Educational Resources Information Center

Tyler, Katherine Mary

2010-01-01

College students are accessing virtual libraries whether they are on campus or learning from a distance. Academic institutions serving virtual patrons must remain focused on meeting the needs of those library users by continually examining their preferences, their searching behavior, and the information they seek. The purpose of this research was…

Portal to the World: AIHEC Virtual Library Opens Doors for Native Research

ERIC Educational Resources Information Center

Kirby, Jane

2004-01-01

The Internet keeps growing at lightning speed. Now, "tribal college" students have a tool to assist them in locating accurate information quickly: the American Indian Higher Education Consortium (AIHEC) Virtual Library. The AIHEC Virtual Library provides a focused entryway into the Internet research field. Librarians report that it supplements…

Differential targeting of Gbetagamma-subunit signaling with small molecules.

PubMed

Bonacci, Tabetha M; Mathews, Jennifer L; Yuan, Chujun; Lehmann, David M; Malik, Sundeep; Wu, Dianqing; Font, Jose L; Bidlack, Jean M; Smrcka, Alan V

2006-04-21

G protein betagamma subunits have potential as a target for therapeutic treatment of a number of diseases. We performed virtual docking of a small-molecule library to a site on Gbetagamma subunits that mediates protein interactions. We hypothesized that differential targeting of this surface could allow for selective modulation of Gbetagamma subunit functions. Several compounds bound to Gbetagamma subunits with affinities from 0.1 to 60 muM and selectively modulated functional Gbetagamma-protein-protein interactions in vitro, chemotactic peptide signaling pathways in HL-60 leukocytes, and opioid receptor-dependent analgesia in vivo. These data demonstrate an approach for modulation of G protein-coupled receptor signaling that may represent an important therapeutic strategy.

Virtual Libraries: Service Realities.

ERIC Educational Resources Information Center

Novak, Jan

2002-01-01

Discussion of changes in society that have resulted from information and communication technologies focuses on changes in libraries and a new market for library services with new styles of clients. Highlights client service issues to be considered when transitioning to a virtual library situation. (Author/LRW)

Surfing for Knowledge: Virtual Libraries and Books on the Web

ERIC Educational Resources Information Center

Wicks, Pamela

2011-01-01

Virtual environments such as Second Life (SL) may provide a way to connect with today's digital native and increase the readership of the community college student, both in virtual and real world libraries. Many colleges and universities already have a presence in SL. Books and services typically found in a "brick and mortar" library can…

Virtual Library: Providing Accessible Online Resources.

ERIC Educational Resources Information Center

Kelly, Rob

2001-01-01

Describes e-global library, a virtual library based on the Jones International University's library that organizes Internet resources to make them more accessible to students at all skill levels. Highlights include online tutorials; research guides; financial aid and career development information; and possible partnerships with other digital…

Librarians without Borders? Virtual Reference Service to Unaffiliated Users

ERIC Educational Resources Information Center

Kibbee, Jo

2006-01-01

The author investigates issues faced by academic research libraries in providing virtual reference services to unaffiliated users. These libraries generally welcome visitors who use on-site collections and reference services, but are these altruistic policies feasible in a virtual environment? This paper reviews the use of virtual reference…

Past into Future: Capturing Library Expertise in a Virtual Library.

ERIC Educational Resources Information Center

Daniels, Wayne; Scardellato, Kathy

1999-01-01

Reports on an initiative by the Toronto Public Library to create the "Virtual Reference Library" (VRL). Describes the first service to be offered, a Dewey application called "Science Net." Discusses the VRL and its precursor, objectives, basis for its funding, technical aspects, progress to date and future direction. (AEF)

The Intersection of Virtual Organizations and the Library: A Case Study

ERIC Educational Resources Information Center

Carlson, Jake; Yatcilla, Jane Kinkus

2010-01-01

The proliferation of virtual organizations is changing the nature and practice of research. These changes present a challenge to Libraries, as their traditional roles and services do not translate well to virtual organizations. However, virtual organizations also offer opportunities for librarians to participate in shaping the next generation of…

Moving beyond Assumptions: The Use of Virtual Reference Data in an Academic Library

ERIC Educational Resources Information Center

Nolen, David S.; Powers, Amanda Clay; Zhang, Li; Xu, Yue; Cannady, Rachel E.; Li, Judy

2012-01-01

The Mississippi State University Libraries' Virtual Reference Service collected statistics about virtual reference usage. Analysis of the data collected by an entry survey from chat and e-mail transactions provided librarians with concrete information about what patron groups were the highest and lowest users of virtual reference services. These…

The Problem Patron and the Academic Library Web Site as Virtual Reference Desk.

ERIC Educational Resources Information Center

Taylor, Daniel; Porter, George S.

2002-01-01

Considers problem library patrons in a virtual environment based on experiences at California Institute of Technology's Web site and its use for virtual reference. Discusses the virtual reference desk concept; global visibility and access to the World Wide Web; problematic email; and advantages in the electronic environment. (LRW)

Bilingual Virtual Reference: It's Better than Searching the Open Web

ERIC Educational Resources Information Center

Lupien, Pascal

2004-01-01

Online library services have been mostly available uniquely in English. To serve the diverse communities that uses library services, a growing number of libraries have been investigating the ins and outs of offering virtual reference in languages other than English. Developing this kind of service in languages spoken by various library user groups…

Production of the next-generation library virtual tour.

PubMed

Duncan, J M; Roth, L K

2001-10-01

While many libraries offer overviews of their services through their Websites, only a small number of health sciences libraries provide Web-based virtual tours. These tours typically feature photographs of major service areas along with textual descriptions. This article describes the process for planning, producing, and implementing a next-generation virtual tour in which a variety of media elements are integrated: photographic images, 360-degree "virtual reality" views, textual descriptions, and contextual floor plans. Hardware and software tools used in the project are detailed, along with a production timeline and budget, tips for streamlining the process, and techniques for improving production. This paper is intended as a starting guide for other libraries considering an investment in such a project.

Differential Targeting of Gβγ-Subunit Signaling with Small Molecules

NASA Astrophysics Data System (ADS)

Bonacci, Tabetha M.; Mathews, Jennifer L.; Yuan, Chujun; Lehmann, David M.; Malik, Sundeep; Wu, Dianqing; Font, Jose L.; Bidlack, Jean M.; Smrcka, Alan V.

2006-04-01

G protein βγ subunits have potential as a target for therapeutic treatment of a number of diseases. We performed virtual docking of a small-molecule library to a site on Gβγ subunits that mediates protein interactions. We hypothesized that differential targeting of this surface could allow for selective modulation of Gβγ subunit functions. Several compounds bound to Gβγ subunits with affinities from 0.1 to 60 μM and selectively modulated functional Gβγ-protein-protein interactions in vitro, chemotactic peptide signaling pathways in HL-60 leukocytes, and opioid receptor-dependent analgesia in vivo. These data demonstrate an approach for modulation of G protein-coupled receptor signaling that may represent an important therapeutic strategy.

Virtual Libraries: Meeting the Corporate Challenge.

ERIC Educational Resources Information Center

DiMattia, Susan S.; Blumenstein, Lynn C.

1999-01-01

Discusses virtual libraries in corporate settings from the viewpoint of five special librarians. Highlights include competitive advantage, space and related collection issues, the use of technology, corporate culture, information overload, library vulnerability and downsizing, and the importance of service over format. (LRW)

If You Can Make It There, You Can Make It Anywhere: Providing Reference and Instructional Library Services in the Virtual Environment

ERIC Educational Resources Information Center

Leonard, Elizabeth; Morasch, Maureen J.

2012-01-01

Despite the old-fashioned view of the academic library as a static institution, libraries can and do change in response to the needs of users and stakeholders. Perhaps the most dramatic shift in services has been the transition from a purely physical to a combination physical/virtual or even virtual-only environment. This article examines how…

The Geography of Virtual Questioning

ERIC Educational Resources Information Center

Mon, Lorri; Bishop, Bradley Wade; McClure, Charles R.; McGilvray, Jessica; Most, Linda; Milas, Theodore Patrick; Snead, John T.

2009-01-01

This article explores the geography of virtual questioning by using geographic information systems to study activity within the Florida Electronic Library "Ask a Librarian" collaborative chat service. Researchers mapped participating libraries throughout the state of Florida that served as virtual "entry portals" for users as…

The Role of Virtual Reference in Library Web Site Design: A Qualitative Source for Usage Data

ERIC Educational Resources Information Center

Powers, Amanda Clay; Shedd, Julie; Hill, Clay

2011-01-01

Gathering qualitative information about usage behavior of library Web sites is a time-consuming process requiring the active participation of patron communities. Libraries that collect virtual reference transcripts, however, hold valuable data regarding how the library Web site is used that could benefit Web designers. An analysis of virtual…

Rocky Mountain High-Tech: LITA's Denver Conference.

ERIC Educational Resources Information Center

Flagg, Gordon

1992-01-01

Reports on the third national conference of the American Library Association's Library and Information Technology Association, which was held September 13-16, 1992, in Denver, Colorado. Program highlights are summarized, including virtual communities, virtual reality, the electronic library, artificial intelligence and expert-systems, navigating…

The World Wide Web Virtual Library of Museums.

ERIC Educational Resources Information Center

Bowen, Jonathan P.

1995-01-01

Provides an introduction to and overview of the World Wide Web Virtual Library of Museums, an interactive directory of online museums, including organization of the hyperlinks visitor statistics, possible future direction, and information on some of the sites linked to the library. (JKP)

Measuring Effectiveness in a Virtual Library

ERIC Educational Resources Information Center

Finch, Jannette L.

2010-01-01

Measuring quality of service in academic libraries traditionally includes quantifiable data such as collection size, staff counts, circulation numbers, reference service statistics, qualitative analyses of customer satisfaction, shelving accuracy, and building comfort. In the libraries of the third millennium, virtual worlds, Web content and…

Helping Students Use Virtual Libraries Effectively.

ERIC Educational Resources Information Center

Fitzgerald, Mary Ann; Galloway, Chad

2001-01-01

Describes a study in which online behavior of high school and undergraduate students using GALILEO (Georgia Library Learning Online), a virtual library, were observed. Topics include cognitive demands; technology literacy; domain knowledge; search strategies; relevance; evaluation of information; information literacy standards; and suggestions to…

[Chemical databases and virtual screening].

PubMed

Rognan, Didier; Bonnet, Pascal

2014-12-01

A prerequisite to any virtual screening is the definition of compound libraries to be screened. As we describe here, various sources are available. The selection of the proper library is usually project-dependent but at least as important as the screening method itself. This review details the main compound libraries that are available for virtual screening and guide the reader to the best possible selection according to its needs. © 2014 médecine/sciences – Inserm.

Production of the next-generation library virtual tour

PubMed Central

Duncan, James M.; Roth, Linda K.

2001-01-01

While many libraries offer overviews of their services through their Websites, only a small number of health sciences libraries provide Web-based virtual tours. These tours typically feature photographs of major service areas along with textual descriptions. This article describes the process for planning, producing, and implementing a next-generation virtual tour in which a variety of media elements are integrated: photographic images, 360-degree “virtual reality” views, textual descriptions, and contextual floor plans. Hardware and software tools used in the project are detailed, along with a production timeline and budget, tips for streamlining the process, and techniques for improving production. This paper is intended as a starting guide for other libraries considering an investment in such a project. PMID:11837254

The Human Element in the Virtual Library.

ERIC Educational Resources Information Center

Saunders, Laverna M.

1999-01-01

Introduces the concept of the virtual library and explores how the increasing reliance on computers and digital information has affected library users and staff. Discusses users' expectations, democratization of access, human issues, organizational change, technostress, ergonomics, assessment, and strategies for success and survival. Contains 35…

CHIPMUNK: A Virtual Synthesizable Small-Molecule Library for Medicinal Chemistry, Exploitable for Protein-Protein Interaction Modulators.

PubMed

Humbeck, Lina; Weigang, Sebastian; Schäfer, Till; Mutzel, Petra; Koch, Oliver

2018-03-20

A common issue during drug design and development is the discovery of novel scaffolds for protein targets. On the one hand the chemical space of purchasable compounds is rather limited; on the other hand artificially generated molecules suffer from a grave lack of accessibility in practice. Therefore, we generated a novel virtual library of small molecules which are synthesizable from purchasable educts, called CHIPMUNK (CHemically feasible In silico Public Molecular UNiverse Knowledge base). Altogether, CHIPMUNK covers over 95 million compounds and encompasses regions of the chemical space that are not covered by existing databases. The coverage of CHIPMUNK exceeds the chemical space spanned by the Lipinski rule of five to foster the exploration of novel and difficult target classes. The analysis of the generated property space reveals that CHIPMUNK is well suited for the design of protein-protein interaction inhibitors (PPIIs). Furthermore, a recently developed structural clustering algorithm (StruClus) for big data was used to partition the sub-libraries into meaningful subsets and assist scientists to process the large amount of data. These clustered subsets also contain the target space based on ChEMBL data which was included during clustering. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Reproductive health: a contribution to the evaluation of a virtual library].

PubMed

Alvarez, Maria do Carmo Avamilano; Cuenca, Angela Maria Belloni; Noronha, Daisy Pires; Schor, Néia

2007-10-01

Virtual libraries have been implemented in an attempt to organize scientific information found in the Internet, including the Biblioteca Virtual de Saúde Reprodutiva (BVSR), or Virtual Library on Reproductive Health. The aim is to provide quality information to researchers in the reproductive health field. The current study evaluates the use of the BVSR, emphasizing the users' expectations, difficulties, and suggestions. The study adopted a qualitative methodology. The focus group technique was applied to Internet chat groups through which reproductive health researchers communicated. Users expressed their expectations regarding information, highlighting the lack of time and the need to quickly obtain precise data. Use of virtual libraries for research increases where there is more trust in the institutions responsible for maintaining them. Researchers suggested the following: greater dissemination of the BVSR, publication of an electronic newsletter, and creation of a communications channel between the BVSR and users in order to foster intelligent collective communication.

Improving Usage Statistics Processing for a Library Consortium: The Virtual Library of Virginia's Experience

ERIC Educational Resources Information Center

Matthews, Tansy E.

2009-01-01

This article describes the development of the Virtual Library of Virginia (VIVA). The VIVA statistics-processing system remains a work in progress. Member libraries will benefit from the ability to obtain the actual data from the VIVA site, rather than just the summaries, so a project to make these data available is currently being planned. The…

Relevance Judging, Evaluation, and Decision Making in Virtual Libraries: A Descriptive Study.

ERIC Educational Resources Information Center

Fitzgerald, Mary Ann; Galloway, Chad

2001-01-01

Describes a study that investigated the cognitive processes undergraduates used to select information while using a virtual library, GALILEO (Georgia Library Learning Online). Discusses higher order thinking processes, relevance judging, evaluation (critical thinking), decision making, reasoning involving documents, relevance-related reasoning,…

Content Analysis of Virtual Reference Data: Reshaping Library Website Design.

PubMed

Fan, Suhua Caroline; Welch, Jennifer M

2016-01-01

An academic health sciences library wanted to redesign its website to provide better access to health information in the community. Virtual reference data were used to provide information about user searching behavior. This study analyzed three years (2012-2014) of virtual reference data, including e-mail questions, text messaging, and live chat transcripts, to evaluate the library website for redesigning, especially in areas such as the home page, patrons' terminology, and issues prompting patrons to ask for help. A coding system based on information links in the current library website was created to analyze the data.

Enhancing RN-to-BSN students' information literacy skills through the use of instructional technology.

PubMed

Schutt, Michelle A; Hightower, Barbara

2009-02-01

The American Association of Colleges of Nursing advocates that professional nurses have the information literacy skills essential for evidence-based practice. As nursing schools embrace evidence-based models to prepare students for nursing careers, faculty can collaborate with librarians to create engaging learning activities focused on the development of information literacy skills. Instructional technology tools such as course management systems, virtual classrooms, and online tutorials provide opportunities to reach students outside the traditional campus classroom. This article discusses the collaborative process between faculty and a library instruction coordinator and strategies used to create literacy learning activities focused on the development of basic database search skills for a Computers in Nursing course. The activities and an online tutorial were included in a library database module incorporated into WebCT. In addition, synchronous classroom meeting software was used by the librarian to reach students in the distance learning environment. Recommendations for module modifications and faculty, librarian, and student evaluations are offered.

Virtual Reference, Real Money: Modeling Costs in Virtual Reference Services

ERIC Educational Resources Information Center

Eakin, Lori; Pomerantz, Jeffrey

2009-01-01

Libraries nationwide are in yet another phase of belt tightening. Without an understanding of the economic factors that influence library operations, however, controlling costs and performing cost-benefit analyses on services is difficult. This paper describes a project to develop a cost model for collaborative virtual reference services. This…

The digital library: an oxymoron?

PubMed Central

Guédon, J C

1999-01-01

"Virtual libraries" and "digital libraries" have become stock phrases of our times. But what do they really mean? While digital refers to a new form of document encoding and must be approached from that perspective, virtual resonates with aspects that modern philosophy treats with benign neglect at best. The word virtual harbors the notion of potential, and therein lies its hidden strength. Although strong commercial interests try to use the shift to a digital environment to redefine the political economy of knowledge, and thus virtualize libraries into a state of almost complete impotence, all hope is not lost. Librarians of virtualized libraries may well discover that they have re-empowered institutions if they place human interaction at the heart of their operations. In other words, rather than envisioning themselves as knowledge bankers sitting on treasure vaults of knowledge, they should see themselves as "hearts" dynamizing human communities. They should also see themselves as an essential part of these communities, and not as external repositories of knowledge. In this fashion, they will avoid the fate of becoming an oxymoron. PMID:9934524

Virtual Reference Service in Academic Libraries in West Africa

ERIC Educational Resources Information Center

Sekyere, Kwabena

2011-01-01

As technology continues to advance, libraries in Europe and America continue to improve upon their virtual reference services by employing new Web technologies and applying them to existing services. West African academic libraries have begun providing resources electronically to their users but still typically lag behind in the services they…

Virtual in-service training from the librarians' point of view in libraries of medical sciences universities in Tehran.

PubMed

Mohaghegh, Niloofar; Raiesi Dehkordi, Puran; Alibeik, MohammadReza; Ghashghaee, Ahmad; Janbozorgi, Mojgan

2016-01-01

Background: In-service training courses are one of the most available programs that are used to improve the quantity and quality level of the staff services in various organizations, including libraries and information centers. With the advent of new technologies in the field of education, the problems and shortcomings of traditional in-service training courses were replaced with virtual ones. This study aimed to evaluate the virtual in-service training courses from the librarians' point of view in libraries of state universities of medical sciences in Tehran. Methods: This was a descriptive- analytical study. The statistical population consisted of all librarians at libraries of universities of medical sciences in Tehran. Out of 103 librarians working in the libraries under the study, 93 (90%) participated in this study. Data were collected, using a questionnaire. Results: The results revealed that 94/6% of librarians were satisfied to participate in virtual in-service training courses. In this study, only 45 out of 93 participants said that the virtual in-service courses were held in their libraries. Of the participants, 75.6% were satisfied with the length of training courses, and one month seemed to be adequate time duration for the librarians to be more satisfied. The satisfaction level of the individuals who participated in in-service courses of the National Library was moderate to high. A total of 84.4% participants announced that the productivity level of the training courses was moderate to high. The most important problem with which the librarians were confronted in virtual in-service training was the "low speed of the internet and inadequate computer substructures". Conclusion: Effectiveness of in-service training courses from librarians' point of view was at an optimal level in the studied libraries.

Virtual in-service training from the librarians' point of view in libraries of medical sciences universities in Tehran

PubMed Central

Mohaghegh, Niloofar; Raiesi Dehkordi, Puran; Alibeik, MohammadReza; Ghashghaee, Ahmad; Janbozorgi, Mojgan

2016-01-01

Background: In-service training courses are one of the most available programs that are used to improve the quantity and quality level of the staff services in various organizations, including libraries and information centers. With the advent of new technologies in the field of education, the problems and shortcomings of traditional in-service training courses were replaced with virtual ones. This study aimed to evaluate the virtual in-service training courses from the librarians' point of view in libraries of state universities of medical sciences in Tehran. Methods: This was a descriptive- analytical study. The statistical population consisted of all librarians at libraries of universities of medical sciences in Tehran. Out of 103 librarians working in the libraries under the study, 93 (90%) participated in this study. Data were collected, using a questionnaire. Results: The results revealed that 94/6% of librarians were satisfied to participate in virtual in-service training courses. In this study, only 45 out of 93 participants said that the virtual in-service courses were held in their libraries. Of the participants, 75.6% were satisfied with the length of training courses, and one month seemed to be adequate time duration for the librarians to be more satisfied. The satisfaction level of the individuals who participated in in-service courses of the National Library was moderate to high. A total of 84.4% participants announced that the productivity level of the training courses was moderate to high. The most important problem with which the librarians were confronted in virtual in-service training was the "low speed of the internet and inadequate computer substructures". Conclusion: Effectiveness of in-service training courses from librarians’ point of view was at an optimal level in the studied libraries. PMID:28491833

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bastian, Mark; Trigueros, Jose V.

Phoenix is a Java Virtual Machine (JVM) based library for performing mathematical and astrodynamics calculations. It consists of two primary sub-modules, phoenix-math and phoenix-astrodynamics. The mathematics package has a variety of mathematical classes for performing 3D transformations, geometric reasoning, and numerical analysis. The astrodynamics package has various classes and methods for computing locations, attitudes, accesses, and other values useful for general satellite modeling and simulation. Methods for computing celestial locations, such as the location of the Sun and Moon, are also included. Phoenix is meant to be used as a library within the context of a larger application. For example,more » it could be used for a web service, desktop client, or to compute simple values in a scripting environment.« less

Key Words in Instruction. Online Learning and Virtual Schools

ERIC Educational Resources Information Center

Lamb, Annette; Callison, Daniel

2005-01-01

Online learning and virtual schools allow students to take classes any time and anywhere. These emerging learning environments require school library media specialists to expand their thinking about their resources and services. Creation of a virtual library can provide access to remote materials that enhance the experience of online learners.…

Application of new technologies in the virtual library: Seminars in Turkey, Portugal, and Spain

NASA Technical Reports Server (NTRS)

Hunter, Judy F.; Cotter, Gladys A.

1994-01-01

This paper focuses on the technologies that are available today to support the concept of a virtual library. The concept of a 'virtual library' or a 'library without walls' is meant to convey the idea that information in any format should be available to the end-user from the desktop as if it were located on the local workstation. Discussed here are the background, trends, technology enablers, end-user requirements, and the NASA Access Mechanism (NAM) system, one example of how it is possible to apply existing technologies to the client server architecture to logically centralize geographically distributed applications and information.

Meeting and Serving Users in Their New Work (and Play) Spaces

ERIC Educational Resources Information Center

Peters, Tom

2008-01-01

This article examines the public services component of digital and virtual libraries, focusing on the end-user experience. As the number and types of "places" where library users access library collections and services continue to expand (now including cell phones, iPods, and three-dimensional virtual reality environments populated by avatars),…

Libraries' Place in Virtual Social Networks

ERIC Educational Resources Information Center

Mathews, Brian S.

2007-01-01

Do libraries belong in the virtual world of social networking? With more than 100 million users, this environment is impossible to ignore. A rising philosophy for libraries, particularly in blog-land, involves the concept of being where the users are. Simply using new media to deliver an old message is not progress. Instead, librarians should…

SmallTool - a toolkit for realizing shared virtual environments on the Internet

NASA Astrophysics Data System (ADS)

Broll, Wolfgang

1998-09-01

With increasing graphics capabilities of computers and higher network communication speed, networked virtual environments have become available to a large number of people. While the virtual reality modelling language (VRML) provides users with the ability to exchange 3D data, there is still a lack of appropriate support to realize large-scale multi-user applications on the Internet. In this paper we will present SmallTool, a toolkit to support shared virtual environments on the Internet. The toolkit consists of a VRML-based parsing and rendering library, a device library, and a network library. This paper will focus on the networking architecture, provided by the network library - the distributed worlds transfer and communication protocol (DWTP). DWTP provides an application-independent network architecture to support large-scale multi-user environments on the Internet.

Distance Education and Virtual Reference: Implementing a Marketing Plan at Texas A&M University

ERIC Educational Resources Information Center

MacDonald, Karen I.; vanDuinkerken, Wyoma

2005-01-01

Texas A&M University Libraries has been testing virtual reference services since February 2004, but during the fall semester 2005, the Libraries began implementing and actively promoting the services to various target groups. Distance education students were identified as a primary target group for virtual reference services, and as of the…

Template-based combinatorial enumeration of virtual compound libraries for lipids

PubMed Central

2012-01-01

A variety of software packages are available for the combinatorial enumeration of virtual libraries for small molecules, starting from specifications of core scaffolds with attachments points and lists of R-groups as SMILES or SD files. Although SD files include atomic coordinates for core scaffolds and R-groups, it is not possible to control 2-dimensional (2D) layout of the enumerated structures generated for virtual compound libraries because different packages generate different 2D representations for the same structure. We have developed a software package called LipidMapsTools for the template-based combinatorial enumeration of virtual compound libraries for lipids. Virtual libraries are enumerated for the specified lipid abbreviations using matching lists of pre-defined templates and chain abbreviations, instead of core scaffolds and lists of R-groups provided by the user. 2D structures of the enumerated lipids are drawn in a specific and consistent fashion adhering to the framework for representing lipid structures proposed by the LIPID MAPS consortium. LipidMapsTools is lightweight, relatively fast and contains no external dependencies. It is an open source package and freely available under the terms of the modified BSD license. PMID:23006594

Template-based combinatorial enumeration of virtual compound libraries for lipids.

PubMed

Sud, Manish; Fahy, Eoin; Subramaniam, Shankar

2012-09-25

A variety of software packages are available for the combinatorial enumeration of virtual libraries for small molecules, starting from specifications of core scaffolds with attachments points and lists of R-groups as SMILES or SD files. Although SD files include atomic coordinates for core scaffolds and R-groups, it is not possible to control 2-dimensional (2D) layout of the enumerated structures generated for virtual compound libraries because different packages generate different 2D representations for the same structure. We have developed a software package called LipidMapsTools for the template-based combinatorial enumeration of virtual compound libraries for lipids. Virtual libraries are enumerated for the specified lipid abbreviations using matching lists of pre-defined templates and chain abbreviations, instead of core scaffolds and lists of R-groups provided by the user. 2D structures of the enumerated lipids are drawn in a specific and consistent fashion adhering to the framework for representing lipid structures proposed by the LIPID MAPS consortium. LipidMapsTools is lightweight, relatively fast and contains no external dependencies. It is an open source package and freely available under the terms of the modified BSD license.

The Virtual Naval Hospital: the digital library as knowledge management tool for nomadic patrons*

PubMed Central

D'Alessandro, Michael P.; D'Alessandro, Donna M.; Bakalar, Richard S.; Ashley, Denis E.; Hendrix, Mary J. C.

2005-01-01

Objective: To meet the information needs of isolated primary care providers and their patients in the US Navy, a digital health sciences library, the Virtual Naval Hospital, was created through a unique partnership between academia and government. Methods: The creation of the digital library was heavily influenced by the principles of user-centered design and made allowances for the nomadic nature of the digital library's patrons and the heterogeneous access they have to Internet bandwidth. Results: The result is a digital library that has been in operation since 1997, continues to expand in size, is heavily used, and is highly regarded by its patrons. Conclusions: The digital library is dedicated to delivering the right information at the right time to the right person so the right decision can be made, and therefore the Virtual Naval Hospital functions as a knowledge-management system for the US Navy Bureau of Medicine and Surgery. PMID:15685269

The Virtual Naval Hospital: the digital library as knowledge management tool for nomadic patrons.

PubMed

D'Alessandro, Michael P; D'Alessandro, Donna M; Bakalar, Richard S; Ashley, Denis E; Hendrix, Mary J C

2005-01-01

To meet the information needs of isolated primary care providers and their patients in the US Navy, a digital health sciences library, the Virtual Naval Hospital, was created through a unique partnership between academia and government. The creation of the digital library was heavily influenced by the principles of user-centered design and made allowances for the nomadic nature of the digital library's patrons and the heterogeneous access they have to Internet bandwidth. The result is a digital library that has been in operation since 1997, continues to expand in size, is heavily used, and is highly regarded by its patrons. The digital library is dedicated to delivering the right information at the right time to the right person so the right decision can be made, and therefore the Virtual Naval Hospital functions as a knowledge-management system for the US Navy Bureau of Medicine and Surgery.

Doing Virtual Reference along with Everything Else

ERIC Educational Resources Information Center

Garlish, Betsy Harper

2009-01-01

Virtual reference is a service that makes particular sense in a state like Montana. The fourth-largest state by geographic area but 44th by population in the U.S., it has about one library per 11,392 residents. Montana's libraries, including the libraries of Montana Tech of the University of Montana, where the author currently serves as a…

User Preferences in Reference Services: Virtual Reference and Academic Libraries

ERIC Educational Resources Information Center

Cummings, Joel; Cummings, Lara; Frederiksen, Linda

2007-01-01

This study examines the use of chat in an academic library's user population and where virtual reference services might fit within the spectrum of public services offered by academic libraries. Using questionnaires, this research demonstrates that many within the academic community are open to the idea of chat-based reference or using chat for…

Improving the Virtual Reference Experience: How Closely Do Academic Libraries Adhere to RUSA Guidelines?

ERIC Educational Resources Information Center

Platt, Jessica; Benson, Pete

2010-01-01

The purpose of this study was to measure the degree to which academic libraries or library staff members throughout the United States adhere to the Guidelines for Virtual Reference Services provided by the Reference & User Services Association (RUSA). The results of the study were analyzed to identify specific areas where improvement is needed…

Screening of a virtual mirror-image library of natural products.

PubMed

Noguchi, Taro; Oishi, Shinya; Honda, Kaori; Kondoh, Yasumitsu; Saito, Tamio; Ohno, Hiroaki; Osada, Hiroyuki; Fujii, Nobutaka

2016-06-08

We established a facile access to an unexplored mirror-image library of chiral natural product derivatives using d-protein technology. In this process, two chemical syntheses of mirror-image substances including a target protein and hit compound(s) allow the lead discovery from a virtual mirror-image library without the synthesis of numerous mirror-image compounds.

Development of CXCR4 modulators by virtual HTS of a novel amide-sulfamide compound library.

PubMed

Bai, Renren; Shi, Qi; Liang, Zhongxing; Yoon, Younghyoun; Han, Yiran; Feng, Amber; Liu, Shuangping; Oum, Yoonhyeun; Yun, C Chris; Shim, Hyunsuk

2017-01-27

CXCR4 plays a crucial role in recruitment of inflammatory cells to inflammation sites at the beginning of the disease process. Modulating CXCR4 functions presents a new avenue for anti-inflammatory strategies. However, using CXCR4 antagonists for a long term usage presents potential serious side effect due to their stem cell mobilizing property. We have been developing partial CXCR4 antagonists without such property. A new computer-aided drug design program, the FRESH workflow, was used for anti-CXCR4 lead compound discovery and optimization, which coupled both compound library building and CXCR4 docking screens in one campaign. Based on the designed parent framework, 30 prioritized amide-sulfamide structures were obtained after systemic filtering and docking screening. Twelve compounds were prepared from the top-30 list. Most synthesized compounds exhibited good to excellent binding affinity to CXCR4. Compounds Ig and Im demonstrated notable in vivo suppressive activity against xylene-induced mouse ear inflammation (with 56% and 54% inhibition). Western blot analyses revealed that Ig significantly blocked CXCR4/CXCL12-mediated phosphorylation of Akt. Moreover, Ig attenuated the amount of TNF-α secreted by pathogenic E. coli-infected macrophages. More importantly, Ig had no observable cytotoxicity. Our results demonstrated that FRESH virtual high throughput screening program of targeted chemical class could successfully find potent lead compounds, and the amide-sulfamide pharmacophore was a novel and effective framework blocking CXCR4 function. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

The use of quality benchmarking in assessing web resources for the dermatology virtual branch library of the National electronic Library for Health (NeLH).

PubMed

Kamel Boulos, M N; Roudsari, A V; Gordon, C; Muir Gray, J A

2001-01-01

In 1998, the U.K. National Health Service Information for Health Strategy proposed the implementation of a National electronic Library for Health to provide clinicians, healthcare managers and planners, patients and the public with easy, round the clock access to high quality, up-to-date electronic information on health and healthcare. The Virtual Branch Libraries are among the most important components of the National electronic Library for Health. They aim at creating online knowledge based communities, each concerned with some specific clinical and other health-related topics. This study is about the envisaged Dermatology Virtual Branch Libraries of the National electronic Library for Health. It aims at selecting suitable dermatology Web resources for inclusion in the forthcoming Virtual Branch Libraries after establishing preliminary quality benchmarking rules for this task. Psoriasis, being a common dermatological condition, has been chosen as a starting point. Because quality is a principal concern of the National electronic Library for Health, the study includes a review of the major quality benchmarking systems available today for assessing health-related Web sites. The methodology of developing a quality benchmarking system has been also reviewed. Aided by metasearch Web tools, candidate resources were hand-selected in light of the reviewed benchmarking systems and specific criteria set by the authors. Over 90 professional and patient-oriented Web resources on psoriasis and dermatology in general are suggested for inclusion in the forthcoming Dermatology Virtual Branch Libraries. The idea of an all-in knowledge-hallmarking instrument for the National electronic Library for Health is also proposed based on the reviewed quality benchmarking systems. Skilled, methodical, organized human reviewing, selection and filtering based on well-defined quality appraisal criteria seems likely to be the key ingredient in the envisaged National electronic Library for Health service. Furthermore, by promoting the application of agreed quality guidelines and codes of ethics by all health information providers and not just within the National electronic Library for Health, the overall quality of the Web will improve with time and the Web will ultimately become a reliable and integral part of the care space.

Communication, Collaboration, and Enhancing the Learning Experience: Developing a Collaborative Virtual Enquiry Service in University Libraries in the North of England

ERIC Educational Resources Information Center

Jolly, Liz; White, Sue

2016-01-01

This article uses the case study of developing a collaborative "out-of-hours" virtual enquiry service by members of the Northern Collaboration Group of academic libraries in the north of England to explore the importance of communication and collaboration between academic library services in enhancing student learning. Set within the…

Library fingerprints: a novel approach to the screening of virtual libraries.

PubMed

Klon, Anthony E; Diller, David J

2007-01-01

We propose a novel method to prioritize libraries for combinatorial synthesis and high-throughput screening that assesses the viability of a particular library on the basis of the aggregate physical-chemical properties of the compounds using a naïve Bayesian classifier. This approach prioritizes collections of related compounds according to the aggregate values of their physical-chemical parameters in contrast to single-compound screening. The method is also shown to be useful in screening existing noncombinatorial libraries when the compounds in these libraries have been previously clustered according to their molecular graphs. We show that the method used here is comparable or superior to the single-compound virtual screening of combinatorial libraries and noncombinatorial libraries and is superior to the pairwise Tanimoto similarity searching of a collection of combinatorial libraries.

Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.

PubMed

Xing, Li; McDonald, Joseph J; Kolodziej, Steve A; Kurumbail, Ravi G; Williams, Jennifer M; Warren, Chad J; O'Neal, Janet M; Skepner, Jill E; Roberds, Steven L

2011-03-10

Structure-based virtual screening was applied to design combinatorial libraries to discover novel and potent soluble epoxide hydrolase (sEH) inhibitors. X-ray crystal structures revealed unique interactions for a benzoxazole template in addition to the conserved hydrogen bonds with the catalytic machinery of sEH. By exploitation of the favorable binding elements, two iterations of library design based on amide coupling were employed, guided principally by the docking results of the enumerated virtual products. Biological screening of the libraries demonstrated as high as 90% hit rate, of which over two dozen compounds were single digit nanomolar sEH inhibitors by IC(50) determination. In total the library design and synthesis produced more than 300 submicromolar sEH inhibitors. In cellular systems consistent activities were demonstrated with biochemical measurements. The SAR understanding of the benzoxazole template provides valuable insights into discovery of novel sEH inhibitors as therapeutic agents.

Research on multi - channel interactive virtual assembly system for power equipment under the “VR+” era

NASA Astrophysics Data System (ADS)

Ren, Yilong; Duan, Xitong; Wu, Lei; He, Jin; Xu, Wu

2017-06-01

With the development of the “VR+” era, the traditional virtual assembly system of power equipment has been unable to satisfy our growing needs. In this paper, based on the analysis of the traditional virtual assembly system of electric power equipment and the application of VR technology in the virtual assembly system of electric power equipment in our country, this paper puts forward the scheme of establishing the virtual assembly system of power equipment: At first, we should obtain the information of power equipment, then we should using OpenGL and multi texture technology to build 3D solid graphics library. After the completion of three-dimensional modeling, we can use the dynamic link library DLL package three-dimensional solid graphics generation program to realize the modularization of power equipment model library and power equipment model library generated hidden algorithm. After the establishment of 3D power equipment model database, we set up the virtual assembly system of 3D power equipment to separate the assembly operation of the power equipment from the space. At the same time, aiming at the deficiency of the traditional gesture recognition algorithm, we propose a gesture recognition algorithm based on improved PSO algorithm for BP neural network data glove. Finally, the virtual assembly system of power equipment can really achieve multi-channel interaction function.

Adding a Feature: Can a Pop-Up Chat Box Enhance Virtual Reference Services?

PubMed

Fan, Suhua Caroline; Fought, Rick L; Gahn, Paul C

2017-01-01

Online users seek help from virtual reference services via email, phone, texting, and live chat. Technologies have enabled new features in library websites to help make this service more accessible and effective. This article is an evaluation of an experimental pop-up live chat box on the website of a health sciences library to see whether the feature would enhance virtual reference services.

Virtual Libraries: Virtual Communities. Abstracts, Fulltext Documents and PowerPoint Presentations of Papers and Demos Given at the International Association of Technological University Libraries (IATUL) Conference (Brisbane, Queensland, Australia, July 3-7, 2000).

ERIC Educational Resources Information Center

International Association of Technological Univ. Libraries, Gothenburg (Sweden).

This proceedings of the International Association of Technological University Libraries (IATUL) contains the opening address by IATUL president Nancy Fjallbrant and the full text of the following papers: "Building Info-Skills by Degrees: Embedding Information Literacy in University Study" (Wendy Abbott and Deborah Peach); "UQ…

Touring by Design: Using Information Architecture To Create a Virtual Library Tour.

ERIC Educational Resources Information Center

Kittelson, Pat; Jones, Sarah

2002-01-01

Describes the development of a Web-based virtual tour of the University of Otago (New Zealand) science library. Highlights include information literacy learning outcomes; information architecture, including information organization and navigation; integrating the tour into course work; and evaluation results. (LRW)

Virtual Libraries: Service Realities.

ERIC Educational Resources Information Center

Novak, Jan

This paper discusses client service issues to be considered when transitioning to a virtual library situation. Themes related to the transitional nature of society in the knowledge era are presented, including: paradox and a contradictory nature; blurring of boundaries; networks, systems, and holistic thinking; process/not product, becoming/not…

Virtually Usable: A Test of the Information Gardens

ERIC Educational Resources Information Center

Johnson, Megan; Ochoa, Louise; Purpur, Geraldine

2007-01-01

This paper presents the results of a usability study conducted to determine the functionality of a desktop, three-dimensional virtual library designed and supported by the Appalachian State University Distance Learning Library Services team. Formative evaluations were performed with representative students utilizing Morae software. Results…

Integration of the HTC Vive into the medical platform MeVisLab

NASA Astrophysics Data System (ADS)

Egger, Jan; Gall, Markus; Wallner, Jürgen; de Almeida Germano Boechat, Pedro; Hann, Alexander; Li, Xing; Chen, Xiaojun; Schmalstieg, Dieter

2017-03-01

Virtual Reality (VR) is an immersive technology that replicates an environment via computer-simulated reality. VR gets a lot of attention in computer games but has also great potential in other areas, like the medical domain. Examples are planning, simulations and training of medical interventions, like for facial surgeries where an aesthetic outcome is important. However, importing medical data into VR devices is not trivial, especially when a direct connection and visualization from your own application is needed. Furthermore, most researcher don't build their medical applications from scratch, rather they use platforms, like MeVisLab, Slicer or MITK. The platforms have in common that they integrate and build upon on libraries like ITK and VTK, further providing a more convenient graphical interface to them for the user. In this contribution, we demonstrate the usage of a VR device for medical data under MeVisLab. Therefore, we integrated the OpenVR library into MeVisLab as an own module. This enables the direct and uncomplicated usage of head mounted displays, like the HTC Vive under MeVisLab. Summarized, medical data from other MeVisLab modules can directly be connected per drag-and-drop to our VR module and will be rendered inside the HTC Vive for an immersive inspection.

The Use of Quality Benchmarking in Assessing Web Resources for the Dermatology Virtual Branch Library of the National electronic Library for Health (NeLH)

PubMed Central

Roudsari, AV; Gordon, C; Gray, JA Muir

2001-01-01

Background In 1998, the U.K. National Health Service Information for Health Strategy proposed the implementation of a National electronic Library for Health to provide clinicians, healthcare managers and planners, patients and the public with easy, round the clock access to high quality, up-to-date electronic information on health and healthcare. The Virtual Branch Libraries are among the most important components of the National electronic Library for Health . They aim at creating online knowledge based communities, each concerned with some specific clinical and other health-related topics. Objectives This study is about the envisaged Dermatology Virtual Branch Libraries of the National electronic Library for Health . It aims at selecting suitable dermatology Web resources for inclusion in the forthcoming Virtual Branch Libraries after establishing preliminary quality benchmarking rules for this task. Psoriasis, being a common dermatological condition, has been chosen as a starting point. Methods Because quality is a principal concern of the National electronic Library for Health, the study includes a review of the major quality benchmarking systems available today for assessing health-related Web sites. The methodology of developing a quality benchmarking system has been also reviewed. Aided by metasearch Web tools, candidate resources were hand-selected in light of the reviewed benchmarking systems and specific criteria set by the authors. Results Over 90 professional and patient-oriented Web resources on psoriasis and dermatology in general are suggested for inclusion in the forthcoming Dermatology Virtual Branch Libraries. The idea of an all-in knowledge-hallmarking instrument for the National electronic Library for Health is also proposed based on the reviewed quality benchmarking systems. Conclusions Skilled, methodical, organized human reviewing, selection and filtering based on well-defined quality appraisal criteria seems likely to be the key ingredient in the envisaged National electronic Library for Health service. Furthermore, by promoting the application of agreed quality guidelines and codes of ethics by all health information providers and not just within the National electronic Library for Health, the overall quality of the Web will improve with time and the Web will ultimately become a reliable and integral part of the care space. PMID:11720947

DELIVERing Library Resources to the Virtual Learning Environment

ERIC Educational Resources Information Center

Secker, Jane

2005-01-01

Purpose: Examines a project to integrate digital libraries and virtual learning environments (VLE) focusing on requirements for online reading list systems. Design/methodology/approach: Conducted a user needs analysis using interviews and focus groups and evaluated three reading or resource list management systems. Findings: Provides a technical…

The Future Role of Librarians in the Virtual Library Environment.

ERIC Educational Resources Information Center

Burke, Liz

2002-01-01

Considers the role of librarians in a virtual library environment. Highlights include providing intellectual access to information in any format; evaluating available sources of information; organizing information; ensuring the preservation of information; providing specialized staff to help meet information needs; and the economic impact of…

Creating and virtually screening databases of fluorescently-labelled compounds for the discovery of target-specific molecular probes

NASA Astrophysics Data System (ADS)

Kamstra, Rhiannon L.; Dadgar, Saedeh; Wigg, John; Chowdhury, Morshed A.; Phenix, Christopher P.; Floriano, Wely B.

2014-11-01

Our group has recently demonstrated that virtual screening is a useful technique for the identification of target-specific molecular probes. In this paper, we discuss some of our proof-of-concept results involving two biologically relevant target proteins, and report the development of a computational script to generate large databases of fluorescence-labelled compounds for computer-assisted molecular design. The virtual screening of a small library of 1,153 fluorescently-labelled compounds against two targets, and the experimental testing of selected hits reveal that this approach is efficient at identifying molecular probes, and that the screening of a labelled library is preferred over the screening of base compounds followed by conjugation of confirmed hits. The automated script for library generation explores the known reactivity of commercially available dyes, such as NHS-esters, to create large virtual databases of fluorescence-tagged small molecules that can be easily synthesized in a laboratory. A database of 14,862 compounds, each tagged with the ATTO680 fluorophore was generated with the automated script reported here. This library is available for downloading and it is suitable for virtual ligand screening aiming at the identification of target-specific fluorescent molecular probes.

[The virtual library in equity, health, and human development].

PubMed

Valdés, América

2002-01-01

This article attempts to describe the rationale that has led to the development of information sources dealing with equity, health, and human development in countries of Latin America and the Caribbean within the context of the Virtual Health Library (Biblioteca Virtual en Salud, BVS). Such information sources include the scientific literature, databases in printed and electronic format, institutional directories and lists of specialists, lists of events and courses, distance education programs, specialty journals and bulletins, as well as other means of disseminating health information. The pages that follow deal with the development of a Virtual Library in Equity, Health, and Human Development, an effort rooted in the conviction that decision-making and policy geared toward achieving greater equity in health must, of necessity, be based on coherent, well-organized, and readily accessible first-rate scientific information. Information is useless unless it is converted into knowledge that benefits society. The Virtual Library in Equity, Health, and Human Development is a coordinated effort to develop a decentralized regional network of scientific information sources, with strict quality control, from which public officials can draw data and practical examples that can help them set health and development policies geared toward achieving greater equity for all.

Target-induced formation of neuraminidase inhibitors from in vitro virtual combinatorial libraries

PubMed Central

Hochgürtel, Matthias; Kroth, Heiko; Piecha, Dorothea; Hofmann, Michael W.; Nicolau, Claude; Krause, Sonja; Schaaf, Otmar; Sonnenmoser, Gabriele; Eliseev, Alexey V.

2002-01-01

Neuraminidase, a key enzyme responsible for influenza virus propagation, has been used as a template for selective synthesis of small subsets of its own inhibitors from theoretically highly diverse dynamic combinatorial libraries. We show that the library building blocks, aldehydes and amines, form significant amounts of the library components resulting from their coupling by reductive amination only in the presence of the enzyme. The target amplifies the best hits at least 120-fold. The dynamic libraries synthesized and screened in such an in vitro virtual mode form the components that possess high inhibitory activity, as confirmed by enzyme assays with independently synthesized individual compounds. PMID:11891312

A Virtual Research Environment for a Secondary Ion Mass Spectrometer (SIMS)

NASA Astrophysics Data System (ADS)

Wiedenbeck, M.; Schäfer, L.; Klump, J.; Galkin, A.

2013-12-01

Overview: This poster describes the development of a Virtual Research Environment for the Secondary Ion Mass Spectrometer (SIMS) at GFZ Potsdam. Background: Secondary Ion Mass Spectrometers (SIMS) are extremely sensitive instruments for analyzing the surfaces of solid and thin film samples. These instruments are rare, expensive and experienced operators are very highly sought after. As such, measurement time is a precious commodity, until now only accessible to small numbers of researchers. The challenge: The Virtual SIMS Project aims to set up a Virtual Research Environment for the operation of the CAMECA IMS 1280-HR instrument at the GFZ Potsdam. The objective of the VRE is to provide SIMS access not only to researchers locally present in Potsdam but also to scientists working with SIMS cooperation partners in e.g., South Africa, Brazil or India. The requirements: The system should address the complete spectrum of laboratory procedures - from online application for measurement time, to remote access for data acquisition to data archiving for the subsequent publication and for future reuse. The approach: The targeted Virtual SIMS Environment will consist of a: 1. Web Server running the Virtual SIMS website providing general information about the project, lab access proposal forms and calendar for the timing of project related tasks. 2. LIMS Server, responsible for scheduling procedures, data management and, if applicable, accounting and billing. 3. Remote SIMS Tool, devoted to the operation of the experiment within a remote control environment. 4. Publishing System, which supports the publication of results in cooperation with the GFZ Library services. 5. Training Simulator, which offers the opportunity to rehearse experiments and to prepare for possible events such as a power outages or interruptions to broadband services. First results: The SIMS Virtual Research Environment will be mainly based on open source software, the only exception being the CAMECA IMS 1280-HR SIMS operating under LabView. The Publishing System will be based on eSciDoc, which is already successfully used by the GFZ scientific library. For the LIMS Server we are currently testing various options. The challenge, however, is the successful integration of all the various components and, where necessary, the definition of useful interfaces between the modules.

A Survey and Empirical Study of Virtual Reference Service in Academic Libraries

ERIC Educational Resources Information Center

Mu, Xiangming; Dimitroff, Alexandra; Jordan, Jeanette; Burclaff, Natalie

2011-01-01

Virtual Reference Services (VRS) have high user satisfaction. The main problem is its low usage. We surveyed 100 academic library web sites to understand how VRS are presented. We then conducted a usability study to further test an active VRS model regarding its effectiveness.

The Evolution of the Reference Librarian

ERIC Educational Resources Information Center

Johnson, Wendell G.

2011-01-01

The job of the contemporary reference librarian has a virtual component unimaginable a generation ago. Today's library professional can obtain an MLS (or equivalent) online with a minimal residency requirement. Not only the degree, but also library sources, and indeed patrons, have become virtual. Both books and periodicals can be consulted by…

Distance Education and Virtual Reference: Where Are We Headed?

ERIC Educational Resources Information Center

Coffman, Steve

2001-01-01

Discusses changes in distance education and considers the resulting need for new types of library services. Topics include new Web-based contact center software; how to conduct virtual reference interviews; online reference service; the role of the physical library; staffing changes; and future possibilities, including impacts on costs of library…

Portals for Undergraduate Subject Searching: Are They Worth It?

ERIC Educational Resources Information Center

Nichols, Jane; Mellinger, Margaret

2007-01-01

In spring 2005, a task force of Oregon State University librarians investigated whether undergraduates would gravitate toward subject portals tentatively named "virtual college libraries." A literature review and Web site inventory shaped our definition of a virtual college library. A preliminary needs assessment consisting of an online…

The Relationship between Cultural Diversity and User Needs in Virtual Reference Services

ERIC Educational Resources Information Center

Shachaf, Pnina; Snyder, Mary

2007-01-01

While the racial diversity of academic library users continues to grow, research on the effects of this diversity remains scarce. This study looks at similarities and differences between non-traditional Caucasian and African American library users through content analysis of ninety-four virtual reference transactions.

The Virtual Library

ERIC Educational Resources Information Center

Valenza, Joyce Kasman

2006-01-01

Today's school libraries must meet student needs as both a physical and virtual space. Existing both offline and online, they must offer around-the-clock access as well as instruction and guidance that support the face-to-face interactions of students with librarians and classroom teachers. Although students are often technologically proficient,…

Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries.

PubMed

Ma, Xiao H; Jia, Jia; Zhu, Feng; Xue, Ying; Li, Ze R; Chen, Yu Z

2009-05-01

Machine learning methods have been explored as ligand-based virtual screening tools for facilitating drug lead discovery. These methods predict compounds of specific pharmacodynamic, pharmacokinetic or toxicological properties based on their structure-derived structural and physicochemical properties. Increasing attention has been directed at these methods because of their capability in predicting compounds of diverse structures and complex structure-activity relationships without requiring the knowledge of target 3D structure. This article reviews current progresses in using machine learning methods for virtual screening of pharmacodynamically active compounds from large compound libraries, and analyzes and compares the reported performances of machine learning tools with those of structure-based and other ligand-based (such as pharmacophore and clustering) virtual screening methods. The feasibility to improve the performance of machine learning methods in screening large libraries is discussed.

Virtual screening on an α-helix to β-strand switchable region of the FGFR2 extracellular domain revealed positive and negative modulators.

PubMed

Diaz, Constantino; Corentin, Herbert; Thierry, Vermat; Chantal, Alcouffe; Tanguy, Bozec; David, Sibrac; Jean-Marc, Herbert; Pascual, Ferrara; Françoise, Bono; Edgardo, Ferran

2014-11-01

The secondary structure of some protein segments may vary between α-helix and β-strand. To predict these switchable segments, we have developed an algorithm, Switch-P, based solely on the protein sequence. This algorithm was used on the extracellular parts of FGF receptors. For FGFR2, it predicted that β4 and β5 strands of the third Ig-like domain were highly switchable. These two strands possess a high number of somatic mutations associated with cancer. Analysis of PDB structures of FGF receptors confirmed the switchability prediction for β5. We thus evaluated if compound-driven α-helix/β-strand switching of β5 could modulate FGFR2 signaling. We performed the virtual screening of a library containing 1.4 million of chemical compounds with two models of the third Ig-like domain of FGFR2 showing different secondary structures for β5, and we selected 32 compounds. Experimental testing using proliferation assays with FGF7-stimulated SNU-16 cells and a FGFR2-dependent Erk1/2 phosphorylation assay with FGFR2-transfected L6 cells, revealed activators and inhibitors of FGFR2. Our method for the identification of switchable proteinic regions, associated with our virtual screening approach, provides an opportunity to discover new generation of drugs with under-explored mechanism of action. © 2014 Wiley Periodicals, Inc.

Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design.

PubMed

Ebalunode, Jerry O; Zheng, Weifan; Tropsha, Alexander

2011-01-01

Optimization of chemical library composition affords more efficient identification of hits from biological screening experiments. The optimization could be achieved through rational selection of reagents used in combinatorial library synthesis. However, with a rapid advent of parallel synthesis methods and availability of millions of compounds synthesized by many vendors, it may be more efficient to design targeted libraries by means of virtual screening of commercial compound collections. This chapter reviews the application of advanced cheminformatics approaches such as quantitative structure-activity relationships (QSAR) and pharmacophore modeling (both ligand and structure based) for virtual screening. Both approaches rely on empirical SAR data to build models; thus, the emphasis is placed on achieving models of the highest rigor and external predictive power. We present several examples of successful applications of both approaches for virtual screening to illustrate their utility. We suggest that the expert use of both QSAR and pharmacophore models, either independently or in combination, enables users to achieve targeted libraries enriched with experimentally confirmed hit compounds.

Similarity searching and scaffold hopping in synthetically accessible combinatorial chemistry spaces.

PubMed

Boehm, Markus; Wu, Tong-Ying; Claussen, Holger; Lemmen, Christian

2008-04-24

Large collections of combinatorial libraries are an integral element in today's pharmaceutical industry. It is of great interest to perform similarity searches against all virtual compounds that are synthetically accessible by any such library. Here we describe the successful application of a new software tool CoLibri on 358 combinatorial libraries based on validated reaction protocols to create a single chemistry space containing over 10 (12) possible products. Similarity searching with FTrees-FS allows the systematic exploration of this space without the need to enumerate all product structures. The search result is a set of virtual hits which are synthetically accessible by one or more of the existing reaction protocols. Grouping these virtual hits by their synthetic protocols allows the rapid design and synthesis of multiple follow-up libraries. Such library ideas support hit-to-lead design efforts for tasks like follow-up from high-throughput screening hits or scaffold hopping from one hit to another attractive series.

Virtual reality for spherical images

NASA Astrophysics Data System (ADS)

Pilarczyk, Rafal; Skarbek, Władysław

2017-08-01

Paper presents virtual reality application framework and application concept for mobile devices. Framework uses Google Cardboard library for Android operating system. Framework allows to create virtual reality 360 video player using standard OpenGL ES rendering methods. Framework provides network methods in order to connect to web server as application resource provider. Resources are delivered using JSON response as result of HTTP requests. Web server also uses Socket.IO library for synchronous communication between application and server. Framework implements methods to create event driven process of rendering additional content based on video timestamp and virtual reality head point of view.

A web-based platform for virtual screening.

PubMed

Watson, Paul; Verdonk, Marcel; Hartshorn, Michael J

2003-09-01

A fully integrated, web-based, virtual screening platform has been developed to allow rapid virtual screening of large numbers of compounds. ORACLE is used to store information at all stages of the process. The system includes a large database of historical compounds from high throughput screenings (HTS) chemical suppliers, ATLAS, containing over 3.1 million unique compounds with their associated physiochemical properties (ClogP, MW, etc.). The database can be screened using a web-based interface to produce compound subsets for virtual screening or virtual library (VL) enumeration. In order to carry out the latter task within ORACLE a reaction data cartridge has been developed. Virtual libraries can be enumerated rapidly using the web-based interface to the cartridge. The compound subsets can be seamlessly submitted for virtual screening experiments, and the results can be viewed via another web-based interface allowing ad hoc querying of the virtual screening data stored in ORACLE.

Mapping, Awareness, And Virtualization Network Administrator Training Tool Virtualization Module

DTIC Science & Technology

2016-03-01

AND VIRTUALIZATION NETWORK ADMINISTRATOR TRAINING TOOL VIRTUALIZATION MODULE by Erik W. Berndt March 2016 Thesis Advisor: John Gibson...REPORT TYPE AND DATES COVERED Master’s thesis 4. TITLE AND SUBTITLE MAPPING, AWARENESS, AND VIRTUALIZATION NETWORK ADMINISTRATOR TRAINING TOOL... VIRTUALIZATION MODULE 5. FUNDING NUMBERS 6. AUTHOR(S) Erik W. Berndt 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Naval Postgraduate School

E-Global Library: The Academic Campus Library Meets the Internet.

ERIC Educational Resources Information Center

Heilig, Jean M.

2001-01-01

Describes e-global library, the first Internet-based virtual library designed for online students at Jones International University and that has grown into a separately licensable product. Highlights include marketing to other academic libraries, both online and traditional; fees; the e-global library model; collection development policies;…

University Library Virtual Reference Services: Best Practices and Continuous Improvement

ERIC Educational Resources Information Center

Shaw, Kate; Spink, Amanda

2009-01-01

The inclusion or not of chat services within Virtual Reference (VR) is an important topic for university libraries. Increasingly, email supported by a Frequently Asked Questions (FAQ) database is suggested in the scholarly literature as the preferred, cost-effective means for providing university VR services. This paper examines these issues and…

Proposal for Implementing Multi-User Database (MUD) Technology in an Academic Library.

ERIC Educational Resources Information Center

Filby, A. M. Iliana

1996-01-01

Explores the use of MOO (multi-user object oriented) virtual environments in academic libraries to enhance reference services. Highlights include the development of multi-user database (MUD) technology from gaming to non-recreational settings; programming issues; collaborative MOOs; MOOs as distinguished from other types of virtual reality; audio…

Virtual digital library

NASA Astrophysics Data System (ADS)

Thoma, George R.

1996-03-01

The virtual digital library, a concept that is quickly becoming a reality, offers rapid and geography-independent access to stores of text, images, graphics, motion video and other datatypes. Furthermore, a user may move from one information source to another through hypertext linkages. The projects described here further the notion of such an information paradigm from an end user viewpoint.

The Virtual School Library: Gateway to the Information Superhighway.

ERIC Educational Resources Information Center

Kuhlthau, Carol Collier, Ed.; And Others

This book is a compilation of 14 articles that present a wide range of perspectives on providing access to vast networks of information resources and enabling students to learn in an information-rich environment. The articles, arranged in four parts--overview of important technologies comprising the virtual library, learning in the electronic…

Structure Based Library Design (SBLD) for new 1,4-dihydropyrimidine scaffold as simultaneous COX-1/COX-2 and 5-LOX inhibitors.

PubMed

Lokwani, Deepak; Azad, Rajaram; Sarkate, Aniket; Reddanna, Pallu; Shinde, Devanand

2015-08-01

The various scaffolds containing 1,4-dihydropyrimidine ring were designed by considering the environment of the active site of COX-1/COX-2 and 5-LOX enzymes. The structure-based library design approach, including the focused library design (Virtual Combinatorial Library Design) and virtual screening was used to select the 1,4-dihydropyrimidine scaffold for simultaneous inhibition of both enzyme pathways (COX-1/COX-2 and 5-LOX). The virtual library on each 1,4-dihydropyrimidine scaffold was enumerated in two alternative ways. In first way, the chemical reagents at R groups were filtered by docking of scaffold with single position substitution, that is, only at R1, or R2, or R3, … Rn on COX-2 enzyme using Glide XP docking mode. The structures that do not dock well were removed and the library was enumerated with filtered chemical reagents. In second alternative way, the single position docking stage was bypassed, and the entire library was enumerated using all chemical reagents by docking on the COX-2 enzyme. The entire library of approximately 15,629 compounds obtained from both ways after screening for drug like properties, were further screened for their binding affinity against COX-1 and 5-LOX enzymes using Virtual Screening Workflow. Finally, 142 hits were obtained and divided into two groups based on their binding affinity for COX-1/COX-2 and for both enzyme pathways (COX-1/COX-2 and 5-LOX). The ten molecules were selected, synthesized and evaluated for their COX-1, COX-2 and 5-LOX inhibiting activity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Delivering Library Services to Remote Students.

ERIC Educational Resources Information Center

Casado, Margaret

2001-01-01

Discusses library services at the University of Tennessee to reach off-campus and distance education students. Topics include online research; email; library instruction for faculty and students; Web interfaces; fax; telephone service; chat technology; the library's Web page; virtual classrooms; library links from a course management system; and…

GAELIC: Consortial Strategies for Survival.

ERIC Educational Resources Information Center

Edwards, Heather

This paper discusses GAELIC (Gauteng and Environs Library Consortium), a regional consortium of South African higher education libraries with the vision of creating a virtual library by linking together autonomous libraries via networks. Topics covered include: (1) GAELIC objectives; (2) selection of INNOPAC as the common library system for GAELIC…

The Off-Campus Library Services Conference Proceedings (7th, San Diego, California, October 25-27, 1995).

ERIC Educational Resources Information Center

Jacob, Carol J., Comp.

This conference proceedings of off-campus library services includes 37 papers covering the following topics: ensuring excellence in distance library services; DePaul University's research consultation service; using videos to promote library service; a virtual academic library project in England; student-centered library instruction off campus;…

Marketing the Virtual Library

ERIC Educational Resources Information Center

Fagan, Jody Condit

2009-01-01

Far more people are familiar with their local public or college library facility than their library's website and online resources. In fact, according to a recent survey, 96% of Americans said they had visited a library in person, but less than one-third have visited their online library. Since everyone agrees that online library resources are…

Dynamic Clamp in Cardiac and Neuronal Systems Using RTXI

PubMed Central

Ortega, Francis A.; Butera, Robert J.; Christini, David J.; White, John A.; Dorval, Alan D.

2016-01-01

The injection of computer-simulated conductances through the dynamic clamp technique has allowed researchers to probe the intercellular and intracellular dynamics of cardiac and neuronal systems with great precision. By coupling computational models to biological systems, dynamic clamp has become a proven tool in electrophysiology with many applications, such as generating hybrid networks in neurons or simulating channelopathies in cardiomyocytes. While its applications are broad, the approach is straightforward: synthesizing traditional patch clamp, computational modeling, and closed-loop feedback control to simulate a cellular conductance. Here, we present two example applications: artificial blocking of the inward rectifier potassium current in a cardiomyocyte and coupling of a biological neuron to a virtual neuron through a virtual synapse. The design and implementation of the necessary software to administer these dynamic clamp experiments can be difficult. In this chapter, we provide an overview of designing and implementing a dynamic clamp experiment using the Real-Time eXperiment Interface (RTXI), an open- source software system tailored for real-time biological experiments. We present two ways to achieve this using RTXI’s modular format, through the creation of a custom user-made module and through existing modules found in RTXI’s online library. PMID:25023319

Social Question and Answer Services versus Library Virtual Reference: Evaluation and Comparison from the Users' Perspective

ERIC Educational Resources Information Center

Zhang, Yin; Deng, Shengli

2014-01-01

Introduction: In recent years, the introduction of social question and answer services and other Internet tools have expanded the ways in which people have their questions answered. There has been speculation and debate over whether such services and other Internet tools are replacing library virtual reference services. Method: Most previous…

Discovery of new erbB4 inhibitors: Repositioning an orphan chemical library by inverse virtual screening.

PubMed

Giordano, Assunta; Forte, Giovanni; Massimo, Luigia; Riccio, Raffaele; Bifulco, Giuseppe; Di Micco, Simone

2018-04-12

Inverse Virtual Screening (IVS) is a docking based approach aimed to the evaluation of the virtual ability of a single compound to interact with a library of proteins. For the first time, we applied this methodology to a library of synthetic compounds, which proved to be inactive towards the target they were initially designed for. Trifluoromethyl-benzenesulfonamides 3-21 were repositioned by means of IVS identifying new lead compounds (14-16, 19 and 20) for the inhibition of erbB4 in the low micromolar range. Among these, compound 20 exhibited an interesting value of IC 50 on MCF7 cell lines, thus validating IVS in lead repurposing. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

Virtual screening of compound libraries.

PubMed

Cerqueira, Nuno M F S A; Sousa, Sérgio F; Fernandes, Pedro A; Ramos, Maria João

2009-01-01

During the last decade, Virtual Screening (VS) has definitively established itself as an important part of the drug discovery and development process. VS involves the selection of likely drug candidates from large libraries of chemical structures by using computational methodologies, but the generic definition of VS encompasses many different methodologies. This chapter provides an introduction to the field by reviewing a variety of important aspects, including the different types of virtual screening methods, and the several steps required for a successful virtual screening campaign within a state-of-the-art approach, from target selection to postfilter application. This analysis is further complemented with a small collection important VS success stories.

The virtual library: Coming of age

NASA Technical Reports Server (NTRS)

Hunter, Judy F.; Cotter, Gladys A.

1994-01-01

With the high speed networking capabilities, multiple media options, and massive amounts of information that exist in electronic format today, the concept of a 'virtual' library or 'library without walls' is becoming viable. In virtual library environment, the information processed goes beyond the traditional definition of documents to include the results of scientific and technical research and development (reports, software, data) recorded in any format or media: electronic, audio, video, or scanned images. Network access to information must include tools to help locate information sources and navigate the networks to connect to the sources, as well as methods to extract the relevant information. Graphical User Interfaces (GUI's) that are intuitive and navigational tools such as Intelligent Gateway Processors (IGP) will provide users with seamless and transparent use of high speed networks to access, organize, and manage information. Traditional libraries will become points of electronic access to information on multiple medias. The emphasis will be towards unique collections of information at each library rather than entire collections at every library. It is no longer a question of whether there is enough information available; it is more a question of how to manage the vast volumes of information. The future equation will involve being able to organize knowledge, manage information, and provide access at the point of origin.

World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches.

PubMed

Ertl, P

1998-02-01

Easy to use, interactive, and platform-independent WWW-based tools are ideal for development of chemical applications. By using the newly emerging Web technologies such as Java applets and sophisticated scripting, it is possible to deliver powerful molecular processing capabilities directly to the desk of synthetic organic chemists. In Novartis Crop Protection in Basel, a Web-based molecular modelling system has been in use since 1995. In this article two new modules of this system are presented: a program for interactive calculation of important hydrophobic, electronic, and steric properties of organic substituents, and a module for substituent similarity searches enabling the identification of bioisosteric functional groups. Various possible applications of calculated substituent parameters are also discussed, including automatic design of molecules with the desired properties and creation of targeted virtual combinatorial libraries.

Practice on an augmented reality/haptic simulator and library of virtual brains improves residents' ability to perform a ventriculostomy.

PubMed

Yudkowsky, Rachel; Luciano, Cristian; Banerjee, Pat; Schwartz, Alan; Alaraj, Ali; Lemole, G Michael; Charbel, Fady; Smith, Kelly; Rizzi, Silvio; Byrne, Richard; Bendok, Bernard; Frim, David

2013-02-01

Ventriculostomy is a neurosurgical procedure for providing therapeutic cerebrospinal fluid drainage. Complications may arise during repeated attempts at placing the catheter in the ventricle. We studied the impact of simulation-based practice with a library of virtual brains on neurosurgery residents' performance in simulated and live surgical ventriculostomies. Using computed tomographic scans of actual patients, we developed a library of 15 virtual brains for the ImmersiveTouch system, a head- and hand-tracked augmented reality and haptic simulator. The virtual brains represent a range of anatomies including normal, shifted, and compressed ventricles. Neurosurgery residents participated in individual simulator practice on the library of brains including visualizing the 3-dimensional location of the catheter within the brain immediately after each insertion. Performance of participants on novel brains in the simulator and during actual surgery before and after intervention was analyzed using generalized linear mixed models. Simulator cannulation success rates increased after intervention, and live procedure outcomes showed improvement in the rate of successful cannulation on the first pass. However, the incidence of deeper, contralateral (simulator) and third-ventricle (live) placements increased after intervention. Residents reported that simulations were realistic and helpful in improving procedural skills such as aiming the probe, sensing the pressure change when entering the ventricle, and estimating how far the catheter should be advanced within the ventricle. Simulator practice with a library of virtual brains representing a range of anatomies and difficulty levels may improve performance, potentially decreasing complications due to inexpert technique.

Building a Virtual Branch at Vancouver Public Library Using Web 2.0 Tools

ERIC Educational Resources Information Center

Cahill, Kay

2009-01-01

Purpose: The purpose of this paper is to demonstrate the work undertaken by Vancouver Public Library (VPL) in an effort to convert its website into a true virtual branch, both through the functionality of the website itself and by extending its web presence on to external social networking sites. Design/methodology/approach: VPL worked with its…

User Interface Technology Transfer to NASA's Virtual Wind Tunnel System

NASA Technical Reports Server (NTRS)

vanDam, Andries

1998-01-01

Funded by NASA grants for four years, the Brown Computer Graphics Group has developed novel 3D user interfaces for desktop and immersive scientific visualization applications. This past grant period supported the design and development of a software library, the 3D Widget Library, which supports the construction and run-time management of 3D widgets. The 3D Widget Library is a mechanism for transferring user interface technology from the Brown Graphics Group to the Virtual Wind Tunnel system at NASA Ames as well as the public domain.

Creating Services for the Digital Library.

ERIC Educational Resources Information Center

Crane, Dennis J.

The terms "virtual library,""digital library," and "electronic library" have received growing attention among professional librarians, researchers, and users of information over the past decade. The confluence of exploding sources of data, expanding technical capability, and constrained time and money will quickly move these concepts from…

Touring the Campus Library from the World Wide Web.

ERIC Educational Resources Information Center

Mosley, Pixey Anne; Xiao, Daniel

1996-01-01

The philosophy, design, implementation and evaluation of a World Wide Web-accessible Virtual Library Tour of Texas A & M University's Evans Library is presented. Its design combined technical computer issues and library instruction expertise. The tour can be used to simulate a typical walking tour through the library or heading directly to a…

Learning Area and Perimeter with Virtual Manipulatives

ERIC Educational Resources Information Center

Bouck, Emily; Flanagan, Sara; Bouck, Mary

2015-01-01

Manipulatives are considered a best practice for educating students with disabilities, but little research exists which examines virtual manipulatives as tool for supporting students in mathematics. This project investigated the use of a virtual manipulative through the National Library of Virtual Manipulatives--polynominoes (i.e., tiles)--as a…

Linking Course Web Sites to Library Collections and Services

ERIC Educational Resources Information Center

Rieger, Oya Y.; Horne, Angela K.; Revels, Ira

2004-01-01

A five-month research study at Cornell University Library (CUL) confirmed the strategic importance of a library presence in faculty-created course Web sites. It sparked specific recommendations to support the seamless integration of the CUL digital library within the virtual learning environments created by faculty.

Virtual Reality for Pediatric Sedation: A Randomized Controlled Trial Using Simulation.

PubMed

Zaveri, Pavan P; Davis, Aisha B; O'Connell, Karen J; Willner, Emily; Aronson Schinasi, Dana A; Ottolini, Mary

2016-02-09

Team training for procedural sedation for pediatric residents has traditionally consisted of didactic presentations and simulated scenarios using high-fidelity mannequins. We assessed the effectiveness of a virtual reality module in teaching preparation for and management of sedation for procedures. After developing a virtual reality environment in Second Life® (Linden Lab, San Francisco, CA) where providers perform and recover patients from procedural sedation, we conducted a randomized controlled trial to assess the effectiveness of the virtual reality module versus a traditional web-based educational module. A 20 question pre- and post-test was administered to assess knowledge change. All subjects participated in a simulated pediatric procedural sedation scenario that was video recorded for review and assessed using a 32-point checklist. A brief survey elicited feedback on the virtual reality module and the simulation scenario. The median score on the assessment checklist was 75% for the intervention group and 70% for the control group (P = 0.32). For the knowledge tests, there was no statistically significant difference between the groups (P = 0.14). Users had excellent reviews of the virtual reality module and reported that the module added to their education. Pediatric residents performed similarly in simulation and on a knowledge test after a virtual reality module compared with a traditional web-based module on procedural sedation. Although users enjoyed the virtual reality experience, these results question the value virtual reality adds in improving the performance of trainees. Further inquiry is needed into how virtual reality provides true value in simulation-based education.

Virtual Reality for Pediatric Sedation: A Randomized Controlled Trial Using Simulation

PubMed Central

Davis, Aisha B; O'Connell, Karen J; Willner, Emily; Aronson Schinasi, Dana A; Ottolini, Mary

2016-01-01

Introduction: Team training for procedural sedation for pediatric residents has traditionally consisted of didactic presentations and simulated scenarios using high-fidelity mannequins. We assessed the effectiveness of a virtual reality module in teaching preparation for and management of sedation for procedures. Methods: After developing a virtual reality environment in Second Life® (Linden Lab, San Francisco, CA) where providers perform and recover patients from procedural sedation, we conducted a randomized controlled trial to assess the effectiveness of the virtual reality module versus a traditional web-based educational module. A 20 question pre- and post-test was administered to assess knowledge change. All subjects participated in a simulated pediatric procedural sedation scenario that was video recorded for review and assessed using a 32-point checklist. A brief survey elicited feedback on the virtual reality module and the simulation scenario. Results: The median score on the assessment checklist was 75% for the intervention group and 70% for the control group (P = 0.32). For the knowledge tests, there was no statistically significant difference between the groups (P = 0.14). Users had excellent reviews of the virtual reality module and reported that the module added to their education. Conclusions: Pediatric residents performed similarly in simulation and on a knowledge test after a virtual reality module compared with a traditional web-based module on procedural sedation. Although users enjoyed the virtual reality experience, these results question the value virtual reality adds in improving the performance of trainees. Further inquiry is needed into how virtual reality provides true value in simulation-based education. PMID:27014520

Natural product-like virtual libraries: recursive atom-based enumeration.

PubMed

Yu, Melvin J

2011-03-28

A new molecular enumerator is described that allows chemically and architecturally diverse sets of natural product-like and drug-like structures to be generated from a core structure as simple as a single carbon atom or as complex as a polycyclic ring system. Integrated with a rudimentary machine-learning algorithm, the enumerator has the ability to assemble biased virtual libraries enriched in compounds predicted to meet target criteria. The ability to dynamically generate relatively small focused libraries in a recursive manner could reduce the computational time and infrastructure necessary to construct and manage extremely large static libraries. Depending on enumeration conditions, natural product-like structures can be produced with a wide range of heterocyclic and alicyclic ring assemblies. Because natural products represent a proven source of validated structures for identifying and designing new drug candidates, mimicking the structural and topological diversity found in nature with a dynamic set of virtual natural product-like compounds may facilitate the creation of new ideas for novel, biologically relevant lead structures in areas of uncharted chemical space.

Virtual Reference Canada (VRC): A Canadian Service in a Multicultural Environment.

ERIC Educational Resources Information Center

Gaudet, Franceen; Savard, Nicolas

Virtual Reference Canada (VRC) is a digital reference service using World Wide Web technology. It was initiated by the National Library of Canada (NLC) in spring 2001 and went into test mode at the start of 2002. It draws on the contribution of a wide range of Canadian libraries and allied institutions. The development of VRC owes a great deal to…

Going Social at Vancouver Public Library: What the Virtual Branch Did Next

ERIC Educational Resources Information Center

Cahill, Kay

2011-01-01

Purpose: The purpose of this paper is to follow up on the 2009 publication "Building a virtual branch at Vancouver Public Library (VPL) using Web 2.0 tools" and to explore the work that VPL has been doing in the social media space over the past two years. Design/methodology/approach: Following the launch of its new web site in 2008,…

Building a Gateway for the CD-ROM Network: A Step toward the Virtual Library with the Virtual Microsystems V-Server.

ERIC Educational Resources Information Center

Sylvia, Margaret

1993-01-01

Describes one college library's experience with a gateway for dial-in access to its CD-ROM network to increase access to automated index searching for students off-campus. Hardware and software choices are discussed in terms of access, reliability, affordability, and ease of use. Installation problems are discussed, and an appendix lists product…

Institutional, Public and Individual Learning Dynamics of the Andy Holt Virtual Library.

ERIC Educational Resources Information Center

Peckham, Robert

The Andy Holt Virtual Library, with a focus on the Humanities and Fine Arts, is free and open to the public, though designed to serve the learning communities within the College of Humanities and Fine Arts at the University of Tennessee-Martin (UT). It also plays a resource role in UT's New College and the Tennessee Governors School for the…

Virtual screening and optimization of Type II inhibitors of JAK2 from a natural product library.

PubMed

Ma, Dik-Lung; Chan, Daniel Shiu-Hin; Wei, Guo; Zhong, Hai-Jing; Yang, Hui; Leung, Lai To; Gullen, Elizabeth A; Chiu, Pauline; Cheng, Yung-Chi; Leung, Chung-Hang

2014-11-21

Amentoflavone has been identified as a JAK2 inhibitor by structure-based virtual screening of a natural product library. In silico optimization using the DOLPHIN model yielded analogues with enhanced potency against JAK2 activity and HCV activity in cellulo. Molecular modeling and kinetic experiments suggested that the analogues may function as Type II inhibitors of JAK2.

Identification of novel modulators for ionotropic glutamate receptor, iGluA2 by in-silico screening

PubMed Central

2013-01-01

Background Ionotropic glutamate receptors (iGluAs, IUPHAR nomenclature) are the major excitatory amino acid neurotransmitter receptors in the mammalian central nervous system (CNS). iGluAs are potential therapeutic drug targets for various neurological disorders including ischemia, epilepsy, Parkinson’s and Alzheimer’s diseases. The known iGluA modulators, cyclothiazide (CTZ), IDRA-21, and other benzothiadiazide derivatives (ALTZ, HCTZ, and CLTZ) bind to the ligand-binding domain of flip-form of iGluA2 at the dimer interface, thereby increasing steady-state activation by reducing desensitization. Methods To discover new modulator compounds, we performed virtual screening for the ligand binding domain (LBD) of iGluA2 against NCI Diversity Set III library containing 1597 compounds, and subsequently performed binding-energy analysis for selected compounds. The crystal structure of rat iGluA2 S1S2J (PDB ID: 3IJO) was used for docking studies. Results and conclusion From this study, we obtained four compounds: (1) 10-2(methoxyethyl)-3-phenylbenzo[g]pteridine-2,4-dione, (2) 2-benzo[e]benzotriazol-2-yl-aniline, (3) 9-nitro-6H-indolo-(2,3,-b)quinoxaline, and (4) 1-hydroxy-n-(3-nitrophenyl)-2-napthamide. The binding mode of these four compounds is very similar to that of abovementioned established modulators: two molecules of each compound independently bind to the protein symmetrically at the dimer interface; occupy the subsites B, C, B’ and C’; potentially interact with Ser518 and Ser775. Binding energy analysis shows that all the four hits are comparable to the drug molecule, CTZ, and hence, we propose that the discovered hits may be potential molecules to develop new chemical libraries for modulating the flip form of iGluA2 function. PMID:23855825

Identification of novel modulators for ionotropic glutamate receptor, iGluA2 by in-silico screening.

PubMed

Padmanabhan, Balasundaram

2013-07-15

Ionotropic glutamate receptors (iGluAs, IUPHAR nomenclature) are the major excitatory amino acid neurotransmitter receptors in the mammalian central nervous system (CNS). iGluAs are potential therapeutic drug targets for various neurological disorders including ischemia, epilepsy, Parkinson's and Alzheimer's diseases. The known iGluA modulators, cyclothiazide (CTZ), IDRA-21, and other benzothiadiazide derivatives (ALTZ, HCTZ, and CLTZ) bind to the ligand-binding domain of flip-form of iGluA2 at the dimer interface, thereby increasing steady-state activation by reducing desensitization. To discover new modulator compounds, we performed virtual screening for the ligand binding domain (LBD) of iGluA2 against NCI Diversity Set III library containing 1597 compounds, and subsequently performed binding-energy analysis for selected compounds. The crystal structure of rat iGluA2 S1S2J (PDB ID: 3IJO) was used for docking studies. From this study, we obtained four compounds: (1) 10-2(methoxyethyl)-3-phenylbenzo[g]pteridine-2,4-dione, (2) 2-benzo[e]benzotriazol-2-yl-aniline, (3) 9-nitro-6H-indolo-(2,3,-b)quinoxaline, and (4) 1-hydroxy-n-(3-nitrophenyl)-2-napthamide. The binding mode of these four compounds is very similar to that of abovementioned established modulators: two molecules of each compound independently bind to the protein symmetrically at the dimer interface; occupy the subsites B, C, B' and C'; potentially interact with Ser518 and Ser775. Binding energy analysis shows that all the four hits are comparable to the drug molecule, CTZ, and hence, we propose that the discovered hits may be potential molecules to develop new chemical libraries for modulating the flip form of iGluA2 function.

The Legacy of the Baroque in Virtual Representations of Library Space

ERIC Educational Resources Information Center

Garrett, Jeffrey

2004-01-01

Library home pages and digital library sites have many properties and purposes in common with the Baroque wall-system libraries of seventeenth- and eighteenth-century Europe. Like their Baroque antecedents, contemporary library Web sites exploit the moment of entrance and the experience of the threshold to create and sustain the illusion of a…

The Dag Hammarskjold Library Reaches Out to the World.

ERIC Educational Resources Information Center

Chepesiuk, Ron

1998-01-01

Describes services offered at the Dag Hammarskjold Library at the United Nations (UN). Highlights include adopting new technology for a virtual library; the international law collection which is now accessible through the World Wide Web; UN depository libraries; material available on the Internet; the Optical Disk System, a storage/retrieval…

Changing State Digital Libraries

ERIC Educational Resources Information Center

Pappas, Marjorie L.

2006-01-01

Research has shown that state virtual or digital libraries are evolving into websites that are loaded with free resources, subscription databases, and instructional tools. In this article, the author explores these evolving libraries based on the following questions: (1) How user-friendly are the state digital libraries?; (2) How do state digital…

Beyond Library Walls: Embedding Librarians in Academic Departments

ERIC Educational Resources Information Center

Matava, Tobie; Coffey, Dan; Kushkowski, Jeffrey

2010-01-01

Today's academic library provides resources that users can access both physically in the library and virtually from academic offices. This increasing availability of online access means that information resources are no longer confined within library walls and librarians need to rethink how their constituents' information needs are being met.…

Automatic Assembly of Combined Checkingfixture for Auto-Body Components Based Onfixture Elements Libraries

NASA Astrophysics Data System (ADS)

Jiang, Jingtao; Sui, Rendong; Shi, Yan; Li, Furong; Hu, Caiqi

In this paper 3-D models of combined fixture elements are designed, classified by their functions, and saved in computer as supporting elements library, jointing elements library, basic elements library, localization elements library, clamping elements library, and adjusting elements library etc. Then automatic assembly of 3-D combined checking fixture for auto-body part is presented based on modularization theory. And in virtual auto-body assembly space, Locating constraint mapping technique and assembly rule-based reasoning technique are used to calculate the position of modular elements according to localization points and clamp points of auto-body part. Auto-body part model is transformed from itself coordinate system space to virtual assembly space by homogeneous transformation matrix. Automatic assembly of different functional fixture elements and auto-body part is implemented with API function based on the second development of UG. It is proven in practice that the method in this paper is feasible and high efficiency.

ODIN system technology module library, 1972 - 1973

NASA Technical Reports Server (NTRS)

Hague, D. S.; Watson, D. A.; Glatt, C. R.; Jones, R. T.; Galipeau, J.; Phoa, Y. T.; White, R. J.

1978-01-01

ODIN/RLV is a digital computing system for the synthesis and optimization of reusable launch vehicle preliminary designs. The system consists of a library of technology modules in the form of independent computer programs and an executive program, ODINEX, which operates on the technology modules. The technology module library contains programs for estimating all major military flight vehicle system characteristics, for example, geometry, aerodynamics, economics, propulsion, inertia and volumetric properties, trajectories and missions, steady state aeroelasticity and flutter, and stability and control. A general system optimization module, a computer graphics module, and a program precompiler are available as user aids in the ODIN/RLV program technology module library.

How to synthesize macrocycles efficiently by using virtual combinatorial libraries.

PubMed

Storm, Ole; Lüning, Ulrich

2002-02-15

The selection of different diimines 4 a-c by alkaline earth ions from a virtual combinatorial library (VCL) is described. The products were stabilized by reduction to the diamines 6 a-c; this allowed easy analysis. The library can be directed toward different target molecules 6 a-c upon addition of alkaline earth ions with different radii. Competition experiments show the possibility of synthesizing the macrocycles 6 a, 6 b, and 6 c simultaneously when using Mg(2+), Ca(2+), and Ba(2+) as template ions. The scope of this thermodynamically controlled, reversible approach for macrocycle syntheses is illustrated.

Leading Edge Technologies in a Community College Library Setting: Identifying Disconnects of Academic Libraries and Their Users

ERIC Educational Resources Information Center

Stanley, Theresa C.

2010-01-01

The intent of this research was to discover what, if any, disconnect exists between community college students' library perceptions and technology use. The researcher studied how students at a very-large southwestern community college are using the physical and virtual college library, and their overall technology and library technology use. The…

The National Library of Medicine: 175 Years of Innovation | NIH MedlinePlus the Magazine

MedlinePlus

... this page please turn Javascript on. The National Library of Medicine 175 Years of Information Innovation Past ... than 40 years! Today, thanks to the National Library of Medicine, virtually any bit of information ever ...

Structure-Based Virtual Screening of Commercially Available Compound Libraries.

PubMed

Kireev, Dmitri

2016-01-01

Virtual screening (VS) is an efficient hit-finding tool. Its distinctive strength is that it allows one to screen compound libraries that are not available in the lab. Moreover, structure-based (SB) VS also enables an understanding of how the hit compounds bind the protein target, thus laying ground work for the rational hit-to-lead progression. SBVS requires a very limited experimental effort and is particularly well suited for academic labs and small biotech companies that, unlike pharmaceutical companies, do not have physical access to quality small-molecule libraries. Here, we describe SBVS of commercial compound libraries for Mer kinase inhibitors. The screening protocol relies on the docking algorithm Glide complemented by a post-docking filter based on structural protein-ligand interaction fingerprints (SPLIF).

Technological Challenges and Opportunities in the United States Education Information Network Collaboration and Service Delivery.

ERIC Educational Resources Information Center

Ely, Donald P.

The definition, role, and functions of "library" are changing. The National Library of Education (NLE) is in transition from a traditional library to a virtual library encompassing "one stop [any stop] shopping" through conventional and digital means. To adequately plan for the transition, the customer and potential customers…

Working in the Virtual Stacks: The New Library and Information Science

ERIC Educational Resources Information Center

Kane, Laura Townsend, Ed.

2011-01-01

Thanks in part to technology, the boundaries of library positions are dissolving. It is no longer practical to discuss the profession in terms of traditional library types, and in today's library, the relationship between librarians and technology is stronger than ever. In this informative volume, veteran author Laura Townsend Kane interviews…

Comfort and Convenience? Why Students Choose Alternatives to the Library

ERIC Educational Resources Information Center

Vondracek, Ruth

2007-01-01

Oregon State University (OSU) researchers surveyed 3,227 undergraduate students to identify how many students use or do not use the physical and virtual OSU libraries. Most importantly, we wanted to determine the alternatives to the library that students choose for typical library activities, such as studying, research, and research assistance,…

Discovery and study of novel protein tyrosine phosphatase 1B inhibitors

NASA Astrophysics Data System (ADS)

Zhang, Qian; Chen, Xi; Feng, Changgen

2017-10-01

Protein tyrosine phosphatase 1B (PTP1B) is considered to be a target for therapy of type II diabetes and obesity. So it is of great significance to take advantage of a computer aided drug design protocol involving the structured-based virtual screening with docking simulations for fast searching small molecule PTP1B inhibitors. Based on optimized complex structure of PTP1B bound with specific inhibitor of IX1, structured-based virtual screening against a library of natural products containing 35308 molecules, which was constructed based on Traditional Chinese Medicine database@ Taiwan (TCM database@ Taiwan), was conducted to determine the occurrence of PTP1B inhibitors using the Lubbock module and CDOCKER module from Discovery Studio 3.1 software package. The results were further filtered by predictive ADME simulation and predictive toxic simulation. As a result, 2 good drug-like molecules, namely para-benzoquinone compound 1 and Clavepictine analogue 2 were identified ultimately with the dock score of original inhibitor (IX1) and the receptor as a threshold. Binding model analyses revealed that these two candidate compounds have good interactions with PTP1B. The PTP1B inhibitory activity of compound 2 hasn't been reported before. The optimized compound 2 has higher scores and deserves further study.

Construction of Chinese adult male phantom library and its application in the virtual calibration of in vivo measurement.

PubMed

Chen, Yizheng; Qiu, Rui; Li, Chunyan; Wu, Zhen; Li, Junli

2016-03-07

In vivo measurement is a main method of internal contamination evaluation, particularly for large numbers of people after a nuclear accident. Before the practical application, it is necessary to obtain the counting efficiency of the detector by calibration. The virtual calibration based on Monte Carlo simulation usually uses the reference human computational phantom, and the morphological difference between the monitored personnel with the calibrated phantom may lead to the deviation of the counting efficiency. Therefore, a phantom library containing a wide range of heights and total body masses is needed. In this study, a Chinese reference adult male polygon surface (CRAM_S) phantom was constructed based on the CRAM voxel phantom, with the organ models adjusted to match the Chinese reference data. CRAM_S phantom was then transformed to sitting posture for convenience in practical monitoring. Referring to the mass and height distribution of the Chinese adult male, a phantom library containing 84 phantoms was constructed by deforming the reference surface phantom. Phantoms in the library have 7 different heights ranging from 155 cm to 185 cm, and there are 12 phantoms with different total body masses in each height. As an example of application, organ specific and total counting efficiencies of Ba-133 were calculated using the MCNPX code, with two series of phantoms selected from the library. The influence of morphological variation on the counting efficiency was analyzed. The results show only using the reference phantom in virtual calibration may lead to an error of 68.9% for total counting efficiency. Thus the influence of morphological difference on virtual calibration can be greatly reduced using the phantom library with a wide range of masses and heights instead of a single reference phantom.

Construction of Chinese adult male phantom library and its application in the virtual calibration of in vivo measurement

NASA Astrophysics Data System (ADS)

Chen, Yizheng; Qiu, Rui; Li, Chunyan; Wu, Zhen; Li, Junli

2016-03-01

In vivo measurement is a main method of internal contamination evaluation, particularly for large numbers of people after a nuclear accident. Before the practical application, it is necessary to obtain the counting efficiency of the detector by calibration. The virtual calibration based on Monte Carlo simulation usually uses the reference human computational phantom, and the morphological difference between the monitored personnel with the calibrated phantom may lead to the deviation of the counting efficiency. Therefore, a phantom library containing a wide range of heights and total body masses is needed. In this study, a Chinese reference adult male polygon surface (CRAM_S) phantom was constructed based on the CRAM voxel phantom, with the organ models adjusted to match the Chinese reference data. CRAMS phantom was then transformed to sitting posture for convenience in practical monitoring. Referring to the mass and height distribution of the Chinese adult male, a phantom library containing 84 phantoms was constructed by deforming the reference surface phantom. Phantoms in the library have 7 different heights ranging from 155 cm to 185 cm, and there are 12 phantoms with different total body masses in each height. As an example of application, organ specific and total counting efficiencies of Ba-133 were calculated using the MCNPX code, with two series of phantoms selected from the library. The influence of morphological variation on the counting efficiency was analyzed. The results show only using the reference phantom in virtual calibration may lead to an error of 68.9% for total counting efficiency. Thus the influence of morphological difference on virtual calibration can be greatly reduced using the phantom library with a wide range of masses and heights instead of a single reference phantom.

Performance Analysis of Ivshmem for High-Performance Computing in Virtual Machines

NASA Astrophysics Data System (ADS)

Ivanovic, Pavle; Richter, Harald

2018-01-01

High-Performance computing (HPC) is rarely accomplished via virtual machines (VMs). In this paper, we present a remake of ivshmem which can change this. Ivshmem was a shared memory (SHM) between virtual machines on the same server, with SHM-access synchronization included, until about 5 years ago when newer versions of Linux and its virtualization library libvirt evolved. We restored that SHM-access synchronization feature because it is indispensable for HPC and made ivshmem runnable with contemporary versions of Linux, libvirt, KVM, QEMU and especially MPICH, which is an implementation of MPI - the standard HPC communication library. Additionally, MPICH was transparently modified by us to get ivshmem included, resulting in a three to ten times performance improvement compared to TCP/IP. Furthermore, we have transparently replaced MPI_PUT, a single-side MPICH communication mechanism, by an own MPI_PUT wrapper. As a result, our ivshmem even surpasses non-virtualized SHM data transfers for block lengths greater than 512 KBytes, showing the benefits of virtualization. All improvements were possible without using SR-IOV.

Combinatorially-generated library of 6-fluoroquinolone analogs as potential novel antitubercular agents: a chemometric and molecular modeling assessment.

PubMed

Minovski, Nikola; Perdih, Andrej; Solmajer, Tom

2012-05-01

The virtual combinatorial chemistry approach as a methodology for generating chemical libraries of structurally-similar analogs in a virtual environment was employed for building a general mixed virtual combinatorial library with a total of 53.871 6-FQ structural analogs, introducing the real synthetic pathways of three well known 6-FQ inhibitors. The druggability properties of the generated combinatorial 6-FQs were assessed using an in-house developed drug-likeness filter integrating the Lipinski/Veber rule-sets. The compounds recognized as drug-like were used as an external set for prediction of the biological activity values using a neural-networks (NN) model based on an experimentally-determined set of active 6-FQs. Furthermore, a subset of compounds was extracted from the pool of drug-like 6-FQs, with predicted biological activity, and subsequently used in virtual screening (VS) campaign combining pharmacophore modeling and molecular docking studies. This complex scheme, a powerful combination of chemometric and molecular modeling approaches provided novel QSAR guidelines that could aid in the further lead development of 6-FQs agents.

Special Features of the Advanced Loans Module of the ABCD Integrated Library System

ERIC Educational Resources Information Center

de Smet, Egbert

2011-01-01

Purpose: The "advanced loans" module of the relatively new library software, ABCD, is an addition to the normal loans module and it offers a "generic transaction decision-making engine" functionality. The module requires extra installation effort and parameterisation, so this article aims to explain to the many potentially interested libraries,…

A Use of Space: The Unintended Messages of Academic Library Web Sites

ERIC Educational Resources Information Center

Kasperek, Sheila; Dorney, Erin; Williams, Beth; O'Brien, Michael

2011-01-01

Academic library home pages are not only access points to the resources and services of a library, they are virtual representations of the library itself. The content placed on the page, where it is placed, and the amount of space allotted are all choices that send a message about the character of the library, the resources a user should start…

Meeting the challenges of clinical information provision.

PubMed

Spring, Hannah

2017-12-01

This virtual issue of the Health Information and Libraries Journal (HILJ) has been compiled to mark the 5th International Clinical Librarian Conference 2011. In considering the challenges of clinical information provision, the content selected for the virtual issue offers an international flavour of clinical information provision and covers a variety of different facets of clinical librarianship. The issue broadly covers the areas of information needs and preferences, clinical librarian roles and services, and education and training, and reflects the way in which a normal issue of the HILJ would be presented. This includes a review article, a collection of original articles, and the three regular features which comprise International Perspectives and Initiatives, Learning and Teaching in Action, and Using Evidence in Practice. All papers included in this virtual issue are available free online. © 2011 The authors. Health Information and Libraries Journal © 2011 Health Libraries Group.

Commuting from Electronic Cottage to Virtual Library.

ERIC Educational Resources Information Center

Woodward, Jeannette

1996-01-01

Although telecommuting has been found to increase productivity and morale in business environments, libraries rarely consider it. This article discusses telecommuting's potential impact on contact with users, length of employment, job descriptions, budgets, management style, communication, and workflow. This option may help libraries retain older…

Information Technology and Disabilities, 1997.

ERIC Educational Resources Information Center

McNulty, Tom, Ed.

1997-01-01

Articles published during 1997 include: "The Multi-Disability Workstation for Small Libraries" (Dick Banks and Steve Noble); "Talking Books: Toward a Digital Model" (John Cookson and others); "World Wide Access: Focus on Libraries" (Sheryl Burgstahler); "The Virtual Library: Collaborative Data Exchange and Electronic Text Delivery" (Steve Noble);…

Who Is Not Using the Library? A Comparison of Undergraduate Academic Disciplines and Library Use

ERIC Educational Resources Information Center

Bridges, Laurie M.

2008-01-01

This study examines the differences in undergraduate library use by academic discipline at Oregon State University (OSU). In the winter of 2006, an online questionnaire about physical and virtual library use was distributed to 3,227 OSU undergraduates; 949 responses were received. Chi-square tests were used to distinguish differences between user…

Digital Library Archaeology: A Conceptual Framework for Understanding Library Use through Artifact-Based Evaluation

ERIC Educational Resources Information Center

Nicholson, Scott

2005-01-01

Archaeologists have used material artifacts found in a physical space to gain an understanding about the people who occupied that space. Likewise, as users wander through a digital library, they leave behind data-based artifacts of their activity in the virtual space. Digital library archaeologists can gather these artifacts and employ inductive…

A Security-façade Library for Virtual-observatory Software

NASA Astrophysics Data System (ADS)

Rixon, G.

2009-09-01

The security-façade library implements, for Java, IVOA's security standards. It supports the authentication mechanisms for SOAP and REST web-services, the sign-on mechanisms (with MyProxy, AstroGrid Accounts protocol or local credential-caches), the delegation protocol, and RFC3820-enabled HTTPS for Apache Tomcat. Using the façade, a developer who is not a security specialist can easily add access control to a virtual-observatory service and call secured services from an application. The library has been an internal part of AstroGrid software for some time and it is now offered for use by other developers.

Advanced Transport Operating System (ATOPS) utility library software description

NASA Technical Reports Server (NTRS)

Clinedinst, Winston C.; Slominski, Christopher J.; Dickson, Richard W.; Wolverton, David A.

1993-01-01

The individual software processes used in the flight computers on-board the Advanced Transport Operating System (ATOPS) aircraft have many common functional elements. A library of commonly used software modules was created for general uses among the processes. The library includes modules for mathematical computations, data formatting, system database interfacing, and condition handling. The modules available in the library and their associated calling requirements are described.

Scaffold architecture and pharmacophoric properties of natural products and trade drugs: application in the design of natural product-based combinatorial libraries.

PubMed

Lee, M L; Schneider, G

2001-01-01

Natural products were analyzed to determine whether they contain appealing novel scaffold architectures for potential use in combinatorial chemistry. Ring systems were extracted and clustered on the basis of structural similarity. Several such potential scaffolds for combinatorial chemistry were identified that are not present in current trade drugs. For one of these scaffolds a virtual combinatorial library was generated. Pharmacophoric properties of natural products, trade drugs, and the virtual combinatorial library were assessed using a self-organizing map. Obviously, current trade drugs and natural products have several topological pharmacophore patterns in common. These features can be systematically explored with selected combinatorial libraries based on a combination of natural product-derived and synthetic molecular building blocks.

Application Reuse Library for Software, Requirements, and Guidelines

NASA Technical Reports Server (NTRS)

Malin, Jane T.; Thronesbery, Carroll

1994-01-01

Better designs are needed for expert systems and other operations automation software, for more reliable, usable and effective human support. A prototype computer-aided Application Reuse Library shows feasibility of supporting concurrent development and improvement of advanced software by users, analysts, software developers, and human-computer interaction experts. Such a library expedites development of quality software, by providing working, documented examples, which support understanding, modification and reuse of requirements as well as code. It explicitly documents and implicitly embodies design guidelines, standards and conventions. The Application Reuse Library provides application modules with Demo-and-Tester elements. Developers and users can evaluate applicability of a library module and test modifications, by running it interactively. Sub-modules provide application code and displays and controls. The library supports software modification and reuse, by providing alternative versions of application and display functionality. Information about human support and display requirements is provided, so that modifications will conform to guidelines. The library supports entry of new application modules from developers throughout an organization. Example library modules include a timer, some buttons and special fonts, and a real-time data interface program. The library prototype is implemented in the object-oriented G2 environment for developing real-time expert systems.

Examining New Technologies, Legislation, Standards and Budgets [and] Libraries: Global Reach, Local Touch [and] Achieving Professional Standards [and] Putting Knowledge To Work [and] View from the Head of the Table [and] Copyright is My Life [and] Leadership in Library and Information Services [and] PIALA in Micronesia [and] Te Rau Herenga.

ERIC Educational Resources Information Center

Voogt, Leo; Ford, Barbara J.; Hendry, J.; Bender, David; Field, Judy; Whitney, Paul; Adams, Karen; Crotts, Joanne Tarpley; Cooper, Sue

1997-01-01

Representatives from seven international library associations give a global view of the library and information sector by outlining goals of the international library association and discussing information literacy, repositioning libraries at the center of the information society, "virtual associations," reassessing library roles and…

Chaos Breeds Life: Finding Opportunities for Library Advancement during a Period of Collection Schizophrenia.

ERIC Educational Resources Information Center

Neal, James G.

1999-01-01

Examines the changes that are affecting academic library collection development. Highlights include computer technology; digital information; networking; virtual reality; hypertext; fair use and copyrights; technological infrastructure; digital libraries; information policy; academic and scholarly publishing; and experiences at the Johns Hopkins…

Virtual shelves in a digital library: a framework for access to networked information sources.

PubMed

Patrick, T B; Springer, G K; Mitchell, J A; Sievert, M E

1995-01-01

Develop a framework for collections-based access to networked information sources that addresses the problem of location-dependent access to information sources. This framework uses a metaphor of a virtual shelf. A virtual shelf is a general-purpose server that is dedicated to a particular information subject class. The identifier of one of these servers identifies its subject class. Location-independent call numbers are assigned to information sources. Call numbers are based on standard vocabulary codes. The call numbers are first mapped to the location-independent identifiers of virtual shelves. When access to an information resource is required, a location directory provides a second mapping of these location-independent server identifiers to actual network locations. The framework has been implemented in two different systems. One system is based on the Open System Foundation/Distributed Computing Environment and the other is based on the World Wide Web. This framework applies in new ways traditional methods of library classification and cataloging. It is compatible with two traditional styles of selecting information searching and browsing. Traditional methods may be combined with new paradigms of information searching that will be able to take advantage of the special properties of digital information. Cooperation between the library-informational science community and the informatics community can provide a means for a continuing application of the knowledge and techniques of library science to the new problems of networked information sources.

Large-scale virtual screening on public cloud resources with Apache Spark.

PubMed

Capuccini, Marco; Ahmed, Laeeq; Schaal, Wesley; Laure, Erwin; Spjuth, Ola

2017-01-01

Structure-based virtual screening is an in-silico method to screen a target receptor against a virtual molecular library. Applying docking-based screening to large molecular libraries can be computationally expensive, however it constitutes a trivially parallelizable task. Most of the available parallel implementations are based on message passing interface, relying on low failure rate hardware and fast network connection. Google's MapReduce revolutionized large-scale analysis, enabling the processing of massive datasets on commodity hardware and cloud resources, providing transparent scalability and fault tolerance at the software level. Open source implementations of MapReduce include Apache Hadoop and the more recent Apache Spark. We developed a method to run existing docking-based screening software on distributed cloud resources, utilizing the MapReduce approach. We benchmarked our method, which is implemented in Apache Spark, docking a publicly available target receptor against [Formula: see text]2.2 M compounds. The performance experiments show a good parallel efficiency (87%) when running in a public cloud environment. Our method enables parallel Structure-based virtual screening on public cloud resources or commodity computer clusters. The degree of scalability that we achieve allows for trying out our method on relatively small libraries first and then to scale to larger libraries. Our implementation is named Spark-VS and it is freely available as open source from GitHub (https://github.com/mcapuccini/spark-vs).Graphical abstract.

Libraries Without Walls 4: The Delivery of Library Services to Distant Users. Proceedings of an International Conference Organized by the Centre for Research in Library and Information Management (CERLIM), Manchester Metropolitan University (Manchester, England, September 14-18, 2001).

ERIC Educational Resources Information Center

Brophy, Peter, Ed.; Fisher, Shelagh, Ed.; Clarke, Zoe, Ed.

This proceedings of the fourth Libraries Without Walls Conference addresses key strategic issues arising from international, regional, and cross-sectoral approaches to the provision of library services to distant users. The following papers are included: Theme 1: Libraries and Virtual Learning Environments: "Introduction" (Peter Brophy,…

Learning through Place-Making: Virtual Environments and Future Literacies

ERIC Educational Resources Information Center

Berry, Maryanne Susan

2010-01-01

This study examines a project through which elementary school and high school students collaborated with university Architecture/New Media students in building models of virtual, immersive libraries. It presents the project in the context of multiple and cross-disciplinary fields currently investigating the use of virtual and immersive…

Library Automation at the University for Development Studies: Challenges and Prospects

ERIC Educational Resources Information Center

Thompson, Edwin S.; Pwadura, Joana

2014-01-01

The automation of a library that basically aims at improving the management of the library's resources and increasing access to these same resources by users has caught on so well in the western world that virtually all academic libraries in that part of the world have automated most of their services. In Africa, however, several challenges are…

Fast Facts: Recent Statistics from the Library Research Service, No. 225-231 (July-November, 2005)

ERIC Educational Resources Information Center

Lietzau, Zeth; Lance, Keith Curry; Dickenson, Don

2005-01-01

Seven issues of Fast Facts from the Library Research Service that cover information from libraries across Colorado are contained in this document. These issues focus on topics from various library sectors and include patron use of AskColorado (a statewide virtual reference service) and the rising use of online services, Colorado public library…

Changing a Cultural Icon: The Academic Library as a Virtual Destination

ERIC Educational Resources Information Center

Campbell, Jerry D.

2006-01-01

Academic libraries today are complex institutions with multiple roles and a host of related operations and services developed over the years. Yet their fundamental purpose has remained the same: to provide access to trustworthy, authoritative knowledge. Consequently, academic libraries--along with their private and governmental counterparts--have…

A Mobile Application for Discovery

ERIC Educational Resources Information Center

Zylstra, Robert

2011-01-01

The last 5 years have heralded a number of important changes to virtual libraries in academic and public settings. Despite this continual effort to improve library catalogs and websites, the fundamentals of these online spaces remain relatively unchanged. Digital collections are within reach of many libraries, yet they remain difficult to…

From Real Challenges to Virtual Reality: Realizing Your Collection through Digital Partnership

ERIC Educational Resources Information Center

Johnson, Jennifer; Mandity, Edward

2010-01-01

In fall 2008, a collaborative partnership was formed between the libraries of two Indiana universities--Marian College's (now Marian University) Mother Theresa Hackelmeier Memorial Library, and the University Library at Indiana University-Purdue University Indianapolis (IUPUI). The authors discuss the digital nature of this collaboration, which…

Untangling the Tangled Webs We Weave: A Team Approach to Cyberspace.

ERIC Educational Resources Information Center

Broidy, Ellen; And Others

Working in a cooperative team environment across libraries and job classifications, librarians and support staff at the University of California at Irvine (UCI) have mounted several successful web projects, including two versions of the Libraries' home page, a virtual reference collection, and Science Library "ANTswer Machine." UCI's…

A Copyright Primer for Small Undergraduate Libraries

ERIC Educational Resources Information Center

Cottrell, Terry

2010-01-01

Campus librarians play a central role in conversations revolving around copyright compliance. The sheer volume of information provided within library physical and virtual spaces affirms the role libraries play in current copyright debates. Regardless of the function of librarians on any particular campus, it is important to confront the myriad of…

Using Social Networks to Create Powerful Learning Communities

ERIC Educational Resources Information Center

Lenox, Marianne; Coleman, Maurice

2010-01-01

Regular readers of "Computers in Libraries" are aware that social networks are forming increasingly important linkages to professional and personal development in all libraries. Live and virtual social networks have become the new learning playground for librarians and library staff. Social networks have the ability to connect those who are…

Ebook Summit: Our Ebook Challenge

ERIC Educational Resources Information Center

Library Journal, 2010

2010-01-01

Over 2000 participants made the daylong programming at the "Library Journal"/"School Library Journal" Virtual Ebook Summit, September 29, a robust conversation and not just within the summit interface but also in tweets with the #ebooksummit hashtag (and beyond) and in libraries across the country where participants logged in to take part. The…

Creating an Engaging Library Orientation: First Year Experience Courses at UC San Diego

ERIC Educational Resources Information Center

Goldman, Crystal; Turnbow, Dominique; Roth, Amanda; Friedman, Lia; Heskett, Karen

2016-01-01

This article focuses on the development of an engaging library orientation module for UC San Diego First Year Experience (FYE) courses. The library module included a brief in-class presentation about research concepts and library services, an online interactive library scavenger hunt given as an in-class activity, and a homework assignment where…

Approaches to virtual screening and screening library selection.

PubMed

Wildman, Scott A

2013-01-01

The ease of access to virtual screening (VS) software in recent years has resulted in a large increase in literature reports. Over 300 publications in the last year report the use of virtual screening techniques to identify new chemical matter or present the development of new virtual screening techniques. The increased use is accompanied by a corresponding increase in misuse and misinterpretation of virtual screening results. This review aims to identify many of the common difficulties associated with virtual screening and allow researchers to better assess the reliability of their virtual screening effort.

Evaluation of a focused virtual library of heterobifunctional ligands for Clostridium difficile toxins.

PubMed

Sanhueza, Carlos A; Cartmell, Jonathan; El-Hawiet, Amr; Szpacenko, Adam; Kitova, Elena N; Daneshfar, Rambod; Klassen, John S; Lang, Dean E; Eugenio, Luiz; Ng, Kenneth K-S; Kitov, Pavel I; Bundle, David R

2015-01-07

A focused library of virtual heterobifunctional ligands was generated in silico and a set of ligands with recombined fragments was synthesized and evaluated for binding to Clostridium difficile toxins. The position of the trisaccharide fragment was used as a reference for filtering docked poses during virtual screening to match the trisaccharide ligand in a crystal structure. The peptoid, a diversity fragment probing the protein surface area adjacent to a known binding site, was generated by a multi-component Ugi reaction. Our approach combines modular fragment-based design with in silico screening of synthetically feasible compounds and lays the groundwork for future efforts in development of composite bifunctional ligands for large clostridial toxins.

Virtual Pediatric Hospital

MedlinePlus

... Assistant™ Last revised on February 22, 2017 Related Digital Libraries Pediatric GeneralPediatrics.com - the general pediatrician's view of the Internet PediatricEducation.org - a pediatric digital library and learning collaboratory intended to serve as a ...

The Effectiveness of a Virtual Field Trip (VFT) Module in Learning Biology

ERIC Educational Resources Information Center

Haris, Norbaizura; Osman, Kamisah

2015-01-01

Virtual Field Trip is a computer aided module of science developed to study the Colonisation and Succession in Mangrove Swamps, as an alternative to the real field trip in Form for Biology. This study is to identify the effectiveness of the Virtual Field Trip (VFT) module towards the level of achievement in the formative test for this topic. This…

One library's experience with review and selection of chat software for reference.

PubMed

Behm, Leslie M

2003-01-01

When Michigan State University (MSU) Libraries decided to make the foray into virtual reference, the first thing that needed to be done was to decide on the software to use. This article discusses the process used including the items considered essential (deal-breakers) for software to make the first cut, what other features needed to be included, and what features would be useful but were not critical. A literature review of some useful current articles on virtual reference is included. The vendor and software ultimately selected was not one of the original vendors; how MSU Libraries was able to evaluate and select Docutek is presented. A matrix for software comparison is included in the appendix.

VO-compliant libraries of high resolution spectra of cool stars

NASA Astrophysics Data System (ADS)

Montes, D.

2008-10-01

In this contribution we describe a Virtual Observatory (VO) compliant version of the libraries of high resolution spectra of cool stars described by Montes et al. (1997; 1998; and 1999). Since their publication the fully reduced spectra in FITS format have been available via ftp and in the World Wide Web. However, in the VO all the spectra will be accessible using a common web interface following the standards of the International Virtual Observatory Alliance (IVOA). These libraries include F, G, K and M field stars, from dwarfs to giants. The spectral coverage is from 3800 to 10000 Å, with spectral resolution ranging from 0.09 to 3.0 Å.

77 FR 5008 - Solios Power Mid-Atlantic Virtual LLC; Supplemental Notice That Initial Market-Based Rate Filing...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-01

...-referenced proceeding are accessible in the Commission's eLibrary system by clicking on the appropriate link... Mid-Atlantic Virtual LLC; Supplemental Notice That Initial Market-Based Rate Filing Includes Request... of Solios Power Mid-Atlantic Virtual LLC's application for market-based rate authority, with an...

Summer library reading programs.

PubMed

Fiore, Carole D

2007-01-01

Virtually all public libraries in the United States provide some type of summer library reading program during the traditional summer vacation period. Summer library reading programs provide opportunities for students of many ages and abilities to practice their reading skills and maintain skills that are developed during the school year. Fiore summarizes some of the research in the field and relates it to library programs and usage by students. Several traditional and innovative programs from U.S. and Canadian libraries are described. She concludes with a call for further research related to summer library reading programs.

Rapid prototyping, astronaut training, and experiment control and supervision: distributed virtual worlds for COLUMBUS, the European Space Laboratory module

NASA Astrophysics Data System (ADS)

Freund, Eckhard; Rossmann, Juergen

2002-02-01

In 2004, the European COLUMBUS Module is to be attached to the International Space Station. On the way to the successful planning, deployment and operation of the module, computer generated and animated models are being used to optimize performance. Under contract of the German Space Agency DLR, it has become IRF's task to provide a Projective Virtual Reality System to provide a virtual world built after the planned layout of the COLUMBUS module let astronauts and experimentators practice operational procedures and the handling of experiments. The key features of the system currently being realized comprise the possibility for distributed multi-user access to the virtual lab and the visualization of real-world experiment data. Through the capabilities to share the virtual world, cooperative operations can be practiced easily, but also trainers and trainees can work together more effectively sharing the virtual environment. The capability to visualize real-world data will be used to introduce measured data of experiments into the virtual world online in order to realistically interact with the science-reference model hardware: The user's actions in the virtual world are translated into corresponding changes of the inputs of the science reference model hardware; the measured data is than in turn fed back into the virtual world. During the operation of COLUMBUS, the capabilities for distributed access and the capabilities to visualize measured data through the use of metaphors and augmentations of the virtual world may be used to provide virtual access to the COLUMBUS module, e.g. via Internet. Currently, finishing touches are being put to the system. In November 2001 the virtual world shall be operational, so that besides the design and the key ideas, first experimental results can be presented.

The Website Library and Its Parliamentary Information & Dissemination Services: A Case Study of the Parliamentary Library of Taipei, Taiwan, R.O.C.

ERIC Educational Resources Information Center

Ku, Karl Min

The Web site library is a new type of digital library incorporating both digital collections and digital service. In the parliamentary context, this new application of information and communications technology has a dual function: to provide a virtual collection to satisfy users' information demands and to provide all the current services needed…

News of the Year. LJ News Report: Victories Muted by Money Worries; The Year in K-12 Libraries: School Librarians Redefine Themselves; Publishing in 2002: Few Trends Emerge from a Year of Ups and Downs.

ERIC Educational Resources Information Center

Minkel, Walter; Milliot, Jim

2003-01-01

Includes three articles: one reviews top stories from "Library Journal" regarding budget problems, salaries and recruitment, privacy, legal issues, virtual reference, electronic books, distance education, special libraries, and scholarly innovation; one discusses school library issues, including layoffs, Internet concerns, and…

Software Repository

NASA Technical Reports Server (NTRS)

Merwarth, P., D.

1983-01-01

The Common Software Module Repository (CSMR) is computerized library system with high product and service visibility to potential users. Online capabilities of system allow both librarian and user to interact with library. Librarian is responsible for maintaining information in CSMR library. User searches library to locate software modules that meet his or her current needs.

Teaching Public Library Administration through Epistemic Gaming

ERIC Educational Resources Information Center

Becnel, Kim; O'Shea, Patrick

2013-01-01

This paper describes the design of an innovative educational experience that took place during the summer of 2011 with a cohort of library science students at Appalachian State University. This group of students, working online in their own virtual public libraries, engaged in an extended epistemic game that required the participants to undertake…

Service Trends in U.S. Public Libraries, 1997-2007. Research Brief Number 1

ERIC Educational Resources Information Center

Henderson, Everett

2009-01-01

Libraries are operating in a fluid service environment in which people increasingly turn to the Internet to address everyday concerns. They also face competition from large booksellers that offer potential library patrons access to a virtually unlimited selection of books. These developments have understandably provoked questions and concerns…

Haven't We Been Here Before? Some Comments on Steve Coffman's Proposal for "Earth's Largest Library".

ERIC Educational Resources Information Center

McGervey, Teresa

2000-01-01

Discusses the concept of Earth's Largest Library (ELL), a mega-virtual library based on the Amazon.com model. Topics include who will be included; privacy; censorship; scope of the collection; costs; legal aspects; collection development; personnel management; access; the concept of community; public service; lending policies; technical…

Learning to Provide 3D Virtual Reference: A Library Science Assignment

ERIC Educational Resources Information Center

Johnson, Megan; Purpur, Geraldine; Abbott, Lisa T.

2009-01-01

In spring semester 2009, two of the authors taught LIB 5020--Information Sources & Services to graduate library science students at Appalachian State University. The course covers information seeking patterns and provides an overview of reference services. The course is also designed to examine and evaluate library reference materials and…

Building to Scale: An Analysis of Web-Based Services in CIC (Big Ten) Libraries.

ERIC Educational Resources Information Center

Dewey, Barbara I.

Advancing library services in large universities requires creative approaches for "building to scale." This is the case for CIC, Committee on Institutional Cooperation (Big Ten), libraries whose home institutions serve thousands of students, faculty, staff, and others. Developing virtual Web-based services is an increasingly viable…

Using Web-based Tutorials To Enhance Library Instruction.

ERIC Educational Resources Information Center

Kocour, Bruce G.

2000-01-01

Describes the development of a Web site for library instruction at Carson-Newman College (TN) and its integration into English composition courses. Describes the use of a virtual tour, a tutorial on database searching, tutorials on specific databases, and library guides to specific disciplines to create an effective mechanism for active learning.…

Virtual Communities in Europe: The European Library Approach

ERIC Educational Resources Information Center

Stigter, Fleur

2009-01-01

Purpose: The purpose of this paper is to provide an overview of The Bridging Worlds Conference which was held in October 2008 in Singapore. Design/methodology/approach: One of the main topics the National Library Board of Singapore, the organising party, wished to address was the roles cultural institutions, such as libraries, may play in…

From Commons to Classroom: The Evolution of Learning Spaces in Academic Libraries

ERIC Educational Resources Information Center

Karasic, Victoria

2016-01-01

Over the past two decades, academic library spaces have evolved to meet the changing teaching and learning needs of diverse campus communities. The Information Commons combines the physical and virtual in an informal library space, whereas the recent Active Learning Classroom creates a more formal setting for collaboration. As scholarship has…

Virtual Reference Services--Down-Under: A Cautionary Tale.

ERIC Educational Resources Information Center

Wagner, Gulten S.

Digital reference services at university libraries in Australia and New Zealand are a recent phenomena dating back to the late 1990s--following the developments in Web-based online library services. This paper examines the move towards the provision of e-mail reference services based on the study of 16 randomly chosen university libraries in…

Choosing the Right Free IM Providers and Clients for Your Library

ERIC Educational Resources Information Center

Izenstark, Amanda K.

2009-01-01

With virtual library services increasing, public services librarians may find themselves with questions such as: What instant messaging services (IM) are available? Which IM service would best suit my patrons' needs? Which IM service best suits my library's technology profile? This column describes the features and functionality of major instant…

Management Matters. Virtual School Library Media Center Management Manual

ERIC Educational Resources Information Center

Pappas, Marjorie L.

2005-01-01

In this article, the author describes a management manual she maintained while working as a school library media specialist. She started the manual when she was a student in the organization and administration course in the library science program and kept it current with information gleaned from conferences, workshops, and networking with other…

A cross docking pipeline for improving pose prediction and virtual screening performance

NASA Astrophysics Data System (ADS)

Kumar, Ashutosh; Zhang, Kam Y. J.

2018-01-01

Pose prediction and virtual screening performance of a molecular docking method depend on the choice of protein structures used for docking. Multiple structures for a target protein are often used to take into account the receptor flexibility and problems associated with a single receptor structure. However, the use of multiple receptor structures is computationally expensive when docking a large library of small molecules. Here, we propose a new cross-docking pipeline suitable to dock a large library of molecules while taking advantage of multiple target protein structures. Our method involves the selection of a suitable receptor for each ligand in a screening library utilizing ligand 3D shape similarity with crystallographic ligands. We have prospectively evaluated our method in D3R Grand Challenge 2 and demonstrated that our cross-docking pipeline can achieve similar or better performance than using either single or multiple-receptor structures. Moreover, our method displayed not only decent pose prediction performance but also better virtual screening performance over several other methods.

A graph-based approach to construct target-focused libraries for virtual screening.

PubMed

Naderi, Misagh; Alvin, Chris; Ding, Yun; Mukhopadhyay, Supratik; Brylinski, Michal

2016-01-01

Due to exorbitant costs of high-throughput screening, many drug discovery projects commonly employ inexpensive virtual screening to support experimental efforts. However, the vast majority of compounds in widely used screening libraries, such as the ZINC database, will have a very low probability to exhibit the desired bioactivity for a given protein. Although combinatorial chemistry methods can be used to augment existing compound libraries with novel drug-like compounds, the broad chemical space is often too large to be explored. Consequently, the trend in library design has shifted to produce screening collections specifically tailored to modulate the function of a particular target or a protein family. Assuming that organic compounds are composed of sets of rigid fragments connected by flexible linkers, a molecule can be decomposed into its building blocks tracking their atomic connectivity. On this account, we developed eSynth, an exhaustive graph-based search algorithm to computationally synthesize new compounds by reconnecting these building blocks following their connectivity patterns. We conducted a series of benchmarking calculations against the Directory of Useful Decoys, Enhanced database. First, in a self-benchmarking test, the correctness of the algorithm is validated with the objective to recover a molecule from its building blocks. Encouragingly, eSynth can efficiently rebuild more than 80 % of active molecules from their fragment components. Next, the capability to discover novel scaffolds is assessed in a cross-benchmarking test, where eSynth successfully reconstructed 40 % of the target molecules using fragments extracted from chemically distinct compounds. Despite an enormous chemical space to be explored, eSynth is computationally efficient; half of the molecules are rebuilt in less than a second, whereas 90 % take only about a minute to be generated. eSynth can successfully reconstruct chemically feasible molecules from molecular fragments. Furthermore, in a procedure mimicking the real application, where one expects to discover novel compounds based on a small set of already developed bioactives, eSynth is capable of generating diverse collections of molecules with the desired activity profiles. Thus, we are very optimistic that our effort will contribute to targeted drug discovery. eSynth is freely available to the academic community at www.brylinski.org/content/molecular-synthesis.Graphical abstractAssuming that organic compounds are composed of sets of rigid fragments connected by flexible linkers, a molecule can be decomposed into its building blocks tracking their atomic connectivity. Here, we developed eSynth, an automated method to synthesize new compounds by reconnecting these building blocks following the connectivity patterns via an exhaustive graph-based search algorithm. eSynth opens up a possibility to rapidly construct virtual screening libraries for targeted drug discovery.

Engaging in research: challenges and opportunities for health library and information professionals.

PubMed

Murphy, Jeannette

2017-12-01

This year's virtual issue (the 6th in the series) has been published to coincide with the European Association for Health Information and Libraries' (EAHIL) 2015 workshop (10-12 June, Edinburgh): Research-Minded: Understanding, Supporting, Conducting Research. This event is being run in collaboration with the International Conference of Animal Health Information Specialists and the International Clinical Librarian Conference. Although research has always been a central part of any librarian's role, until recently health librarians and library users and funding bodies assumed that librarians were 'midwives' - there to assist students, clinicians, academics and managers set up and carry out their research. The notion of the librarian as a professional with a research agenda, who understands research methods, submits research grants, and publishes, is a relatively new perspective. If librarians are to take an evidence-based approach to their profession they need to acquire research skills. This is the rationale for the 2015 EAHIL workshop. To support the workshop, this virtual issue contains six original articles published in Health Information and Libraries Journal over the last 2 years that demonstrate the range of research activities carried out by health librarians, as well as a review article and articles from each of the three feature columns. All articles included in this virtual issue are available free online. © 2015 Health Libraries Group.

Virtual shelves in a digital library: a framework for access to networked information sources.

PubMed Central

Patrick, T B; Springer, G K; Mitchell, J A; Sievert, M E

1995-01-01

OBJECTIVE: Develop a framework for collections-based access to networked information sources that addresses the problem of location-dependent access to information sources. DESIGN: This framework uses a metaphor of a virtual shelf. A virtual shelf is a general-purpose server that is dedicated to a particular information subject class. The identifier of one of these servers identifies its subject class. Location-independent call numbers are assigned to information sources. Call numbers are based on standard vocabulary codes. The call numbers are first mapped to the location-independent identifiers of virtual shelves. When access to an information resource is required, a location directory provides a second mapping of these location-independent server identifiers to actual network locations. RESULTS: The framework has been implemented in two different systems. One system is based on the Open System Foundation/Distributed Computing Environment and the other is based on the World Wide Web. CONCLUSIONS: This framework applies in new ways traditional methods of library classification and cataloging. It is compatible with two traditional styles of selecting information searching and browsing. Traditional methods may be combined with new paradigms of information searching that will be able to take advantage of the special properties of digital information. Cooperation between the library-informational science community and the informatics community can provide a means for a continuing application of the knowledge and techniques of library science to the new problems of networked information sources. PMID:8581554

Your Guide to Meebo Options: Virtual Reference Summer Meltdown and Fall Shakeout

ERIC Educational Resources Information Center

Breitbach, William

2012-01-01

Competition in the virtual reference market got really hot this past summer. Recent developments in virtual reference offerings suggest the market is much more dynamic than most people would have imagined a short time ago. With Google's acquisition of Meebo and its subsequent decision to shut down the chat widget service, many libraries scrambled…

New Library, New Librarian, New Student: Using LibGuides to Reach the Virtual Student

ERIC Educational Resources Information Center

Roberts, Sara; Hunter, Dwight

2011-01-01

This article examines the virtual pathfinder and its relationship with distance education students. Various topics are addressed in relation to virtual students, LibGuides and collaborative efforts between librarians and teaching faculty. A brief history of the subject guide is presented, advantages and disadvantages of LibGuides are discussed and…

Modulation of thermal pain-related brain activity with virtual reality: evidence from fMRI.

PubMed

Hoffman, Hunter G; Richards, Todd L; Coda, Barbara; Bills, Aric R; Blough, David; Richards, Anne L; Sharar, Sam R

2004-06-07

This study investigated the neural correlates of virtual reality analgesia. Virtual reality significantly reduced subjective pain ratings (i.e. analgesia). Using fMRI, pain-related brain activity was measured for each participant during conditions of no virtual reality and during virtual reality (order randomized). As predicted, virtual reality significantly reduced pain-related brain activity in all five regions of interest; the anterior cingulate cortex, primary and secondary somatosensory cortex, insula, and thalamus (p<0.002, corrected). Results showed direct modulation of human brain pain responses by virtual reality distraction. Copyright 2004 Lippincott Williams and Wilkins

Promotion and evaluation of a virtual live reference service.

PubMed

McGraw, Kathleen A; Heiland, Jennifer; Harris, Julianna C

2003-01-01

The University of North Carolina at Chapel Hill Health Sciences Library began providing virtual live reference service in the fall of 2001. The library was interested in exploring new ways to interact with users accessing electronic resources from outside the library. This article describes the background for starting the service, the methods used to promote the service, and the results of an evaluation conducted after the first seven months of operation. The service was lightly used during these months with only 82 interactions. An analysis of the transcripts examined referring Web pages, types of questions asked, software features used, and user login data. Text of two user surveys is included, with the data from the in-person survey analyzed.

Virtual library

NASA Astrophysics Data System (ADS)

Carlowicz, Michael

If you have a computer and a grasp of algebra, you can learn physics. That is one of the messages behind the release of Physics—The Root Science, a new full-text version of a physics textbook available at no cost on the World Wide Web.The interactive textbook is the work of the International Institute of Theoretical and Applied Physics (IITAP) at Iowa State University, which was established in 1993 as a partnership with the United Nations Education, Scientific, and Cultural Organization (UNESCO). With subject matter equivalent to that of a 400-page volume, the text is designed to be completed in one school year. The textbook also will eventually include video clips of experiments and interactive learning modules, as well as links to appropriate cross-references about fundamental principles of physics.

[Modulating expression of key genes within β-carotene synthetic pathway in recombinant Escherichia coli with RBS library to improve β-carotene production].

PubMed

Dai, Guanping; Sun, Tao; Miao, Liangtian; Li, Qingyan; Xiao, Dongguang; Zhang, Xueli

2014-08-01

β-carotene belongs to carotenoids family, widely applied in pharmaceuticals, neutraceuticals, cosmetics and food industries. In this study, three key genes (dxs, idi, and crt operon) within β-carotene synthetic pathway in recombinant Escherichia coli strain CAR005 were modulated with RBS Library to improve β-carotene production. There were 7%, 11% and 17% increase of β-carotene yield respectively after modulating dxs, idi and crt operon genes with RBS Library, demonstrating that modulating gene expression with regulatory parts libraries would have more opportunities to obtain optimal production of target compound. Combined modulation of crt operon, dxs and idi genes led to 35% increase of β-carotene yield compared to parent strain CAR005. The optimal gene expression strength identified in single gene modulation would not be the optimal strength when used in combined modulation. Our study provides a new strategy for improving production of target compound through modulation of gene expression.

Browsing the Virtual Stacks: Making Electronic Reference Tools More Visible to Users

ERIC Educational Resources Information Center

Peterson, Elizabeth

2008-01-01

Electronic reference resources are expanding traditional print reference collections far beyond the walls of the library building. While the library literature has seen a debate rage about the various merits and pitfalls of electronic reference sources, no one disputes they are here to stay. As more of the library content becomes available through…

Marketing the Library in an On-Line University to Help Achieve Information Literacy

ERIC Educational Resources Information Center

Murphy, Jennifer

2013-01-01

An entrepreneurial librarian takes the embedded librarian concept one step further at a completely on-line university and markets the virtual library to students, faculty and administration rather than wait for customers to come to the library. York and Vance (2009) make the observation that "one obstacle to marketing an embedded librarian…

Fast Facts: Recent Statistics from the Library Research Service, Nos. 214-224. February 11-March 31, 2005

ERIC Educational Resources Information Center

Steffen, Nicolle Olivia; Lance, Keith Curry; Lietzau, Zeth; Dickenson, Don

2005-01-01

Eleven issues of "Fast Facts" from the Library Research Service cover information from libraries across Colorado. These issues focus on topics from the public, academic, and school sectors. These topics include patron use of AskColorado (a statewide virtual reference service) and the rising use of online services. The "Fast…

[Application of the technique of analytical structure of project for the sub-project of websites catalog of the Virtual Health Library-Nursing].

PubMed

dos, Santos Luís Augusto; Marin, Heimar de Fátima; Marques, Isaac Rosa; Cunha, Isabel Cristina Kowal Olm

2007-01-01

This work intents, in a didactic form, to explain the benefits of use of a technique of project management, named Work Breakdown Structure: a graphical tool to identify the main results to be developed in a project. The real examples are applied to a sub-project of the Virtual Library in Health in Nursing (BVS-Enfermagem) to development of the Sites Catalogs. The benefits of graphical visualization for a major agreement between professionals of different expertise are presented.

The essential skills required by librarians to support medical virtual learning programs.

PubMed

Soleymani, Mohammad Reza; Akbari, Zahra; Mojiri, Shahin

2016-01-01

Background: With the recent spread of virtual learning programs in universities, especially in the field of medical sciences, libraries play a crucial role to support these programs. This study aimed at investigating the skills required by librarians to support virtual learning programs in Isfahan University and Isfahan University of Medical Sciences. Methods: This was an applied survey study. The population of the study includes all librarians working in Isfahan University and Isfahan University of Medical Sciences. A sample of 89 librarians was selected by stratified random sampling. Data were collected by a researcher-made questionnaire, the validity of which was confirmed by specialists in the fields of librarianship and information sciences and virtual learning, and its reliability was determined to be 0.92, using Cronbach's Alpha. The questionnaire consisted of 51 items designed to evaluate the librarians' virtual learning skills using Likert scale. Descriptive and inferential statistics were used to analyze the findings. Results: The findings of this study revealed that librarians had low level of skills with respect to the online reference services, and familiarity with virtual learning environment. They also showed low and average level of skills with respect to their general information technology, communication skills, ability to teach electronic information literacy and ability to create access to electronic resources. The results revealed no significant difference between the librarians of the two universities, or between male and female librarians. However, librarians with educational background in librarianship and information sciences were significantly more skillful and competent than their colleagues. Conclusion: Despite the crucial role of libraries in supporting virtual learning programs, the librarians in Isfahan University and Isfahan University of Medical Sciences had low-level skills to play such an important role. Therefore, it is essential to provide on-the-job virtual training courses for librarians to improve their job performance and the quality of library services.

The essential skills required by librarians to support medical virtual learning programs

PubMed Central

Soleymani, Mohammad Reza; Akbari, Zahra; Mojiri, Shahin

2016-01-01

Background: With the recent spread of virtual learning programs in universities, especially in the field of medical sciences, libraries play a crucial role to support these programs. This study aimed at investigating the skills required by librarians to support virtual learning programs in Isfahan University and Isfahan University of Medical Sciences. Methods: This was an applied survey study. The population of the study includes all librarians working in Isfahan University and Isfahan University of Medical Sciences. A sample of 89 librarians was selected by stratified random sampling. Data were collected by a researcher-made questionnaire, the validity of which was confirmed by specialists in the fields of librarianship and information sciences and virtual learning, and its reliability was determined to be 0.92, using Cronbach's Alpha. The questionnaire consisted of 51 items designed to evaluate the librarians' virtual learning skills using Likert scale. Descriptive and inferential statistics were used to analyze the findings. Results: The findings of this study revealed that librarians had low level of skills with respect to the online reference services, and familiarity with virtual learning environment. They also showed low and average level of skills with respect to their general information technology, communication skills, ability to teach electronic information literacy and ability to create access to electronic resources. The results revealed no significant difference between the librarians of the two universities, or between male and female librarians. However, librarians with educational background in librarianship and information sciences were significantly more skillful and competent than their colleagues. Conclusion: Despite the crucial role of libraries in supporting virtual learning programs, the librarians in Isfahan University and Isfahan University of Medical Sciences had low-level skills to play such an important role. Therefore, it is essential to provide on-the-job virtual training courses for librarians to improve their job performance and the quality of library services. PMID:28491838

Virtual Reality.

ERIC Educational Resources Information Center

Newby, Gregory B.

1993-01-01

Discusses the current state of the art in virtual reality (VR), its historical background, and future possibilities. Highlights include applications in medicine, art and entertainment, science, business, and telerobotics; and VR for information science, including graphical display of bibliographic data, libraries and books, and cyberspace.…

Connecting Distance Learning Communities to Research via Virtual Collaboratories: A Case Study from Library and Information Science

ERIC Educational Resources Information Center

Rebmann, Kristen

2012-01-01

This case study reports on patterns of participation in a virtual collaboratory organised around goals associated with the involvement of graduate students in research and writing projects. Traditionally, distance learning classrooms have been devoted to teaching content matter (in a virtual context) yet this case study reports on the use of…

Moving Reference to the Web.

ERIC Educational Resources Information Center

McGlamery, Susan; Coffman, Steve

2000-01-01

Explores the possibility of using Web contact center software to offer reference assistance to remote users. Discusses a project by the Metropolitan Cooperative Library System/Santiago Library System consortium to test contact center software and to develop a virtual reference network. (Author/LRW)

Naver: a PC-cluster-based VR system

NASA Astrophysics Data System (ADS)

Park, ChangHoon; Ko, HeeDong; Kim, TaiYun

2003-04-01

In this paper, we present a new framework NAVER for virtual reality application. The NAVER is based on a cluster of low-cost personal computers. The goal of NAVER is to provide flexible, extensible, scalable and re-configurable framework for the virtual environments defined as the integration of 3D virtual space and external modules. External modules are various input or output devices and applications on the remote hosts. From the view of system, personal computers are divided into three servers according to its specific functions: Render Server, Device Server and Control Server. While Device Server contains external modules requiring event-based communication for the integration, Control Server contains external modules requiring synchronous communication every frame. And, the Render Server consists of 5 managers: Scenario Manager, Event Manager, Command Manager, Interaction Manager and Sync Manager. These managers support the declaration and operation of virtual environment and the integration with external modules on remote servers.

The Library of Birmingham Project: Lifelong Learning for the Digital Age

ERIC Educational Resources Information Center

Blewitt, John; Gambles, Brian

2010-01-01

The Library of Birmingham (LoB) is a 193 million British pounds project designed to provide a new space for lifelong learning and knowledge growth, a physical and virtual portal for Birmingham's citizens to the wider world. In cooperation with a range of private, public, and third-sector bodies, as well as individual citizens, the library, due to…

A digital library of radiology images.

PubMed

Kahn, Charles E

2006-01-01

A web-based virtual library of peer-reviewed radiological images was created for use in education and clinical decision support. Images were obtained from open-access content of five online radiology journals and one e-learning web site. Figure captions were indexed by Medical Subject Heading (MeSH) codes, imaging modality, and patient age and sex. This digital library provides a new, valuable online resource.

School Libraries Are Essential: Meeting the Virtual Access and Collaboration Needs of the 21st-Century Learner and Teacher

ERIC Educational Resources Information Center

Darrow, Rob

2009-01-01

School librarians have excelled in providing a physical library space that is welcoming, making sure students have an inviting space to access print and digital materials, and developing collections that provide access for all ages of students. In the physical library space services such as collaborating with teachers and consulting with students…

Cost-effective ways of delivering enquiry services: a rapid review.

PubMed

Sutton, Anthea; Grant, Maria J

2011-12-01

In the recent times of recession and budget cuts, it is more important than ever for library and information services to deliver cost-effective services. This rapid review aims to examine the evidence for the most cost-effective ways of delivering enquiry services. A literature search was conducted on LISA (Library and Information Sciences Abstracts) and MEDLINE. Searches were limited to 2007 onwards. Eight studies met the inclusion criteria. The studies covered hospital and academic libraries in the USA and Canada. Services analysed were 'point-of-care' librarian consultations, staffing models for reference desks and virtual/digital reference services. Transferable lessons, relevant to health library and information services generally, can be drawn from this rapid review. These suggest that 'point-of-care' librarians for primary care practitioners are a cost-effective way of answering questions. Reference desks can be cost-effectively staffed by student employees or general reference staff, although librarian referral must be provided for more complex and subject-specific enquiries. However, it is not possible to draw any conclusions on virtual/digital reference services because of the limited literature available. Further case analysis studies measuring specific services, particularly enquiry services within a health library and information context, are required. © 2011 The authors. Health Information and Libraries Journal © 2011 Health Libraries Group.

The Virtual Hospital: experiences in creating and sustaining a digital library.

PubMed Central

D'Alessandro, M P; Galvin, J R; Erkonen, W E; Choi, T A; Lacey, D L; Colbert, S I

1998-01-01

A university and its faculty encompass a wealth of content, which is often freely supplied to commercial publishers who profit from it. Emerging digital library technology holds promise for allowing the creation of digital libraries and digital presses that can allow faculty and universities to bypass commercial publishers, retain control of their content, and distribute it directly to users, allowing the university and faculty to better serve their constituencies. The purpose of this paper is to show how this can be done. A methodology for overcoming the technical, social, political, and economic barriers involved in creating, distributing and organizing a digital library was developed, implemented, and refined over seven years. Over the seven years, 120 textbooks and booklets were placed in the Virtual Hospital digital library, from 159 authors in twenty-nine departments and four colleges at The University of Iowa. The digital library received extensive use by individuals around the world. A new paradigm for academic publishing was created, involving a university and faculty owned peer reviewed digital press implemented using digital library technology. The concept has been embraced by The University of Iowa, and it has pledged to sustain the digital press in order to allow. The University of Iowa to fulfill its mission of creating, organizing, and disseminating information better. PMID:9803300

NOAA Photo Library - Other NOAA Photo Sites

Science.gov Websites

National Marine Mammal Laboratory Resource Assessment and Conservation Engineering Fish Photos by Family Florida - Melbourne: Post Storm Damage Surveys and Summaries Florida - Tallahassee: Virtual Office Tour Kentucky - Jackson: Virtual Tour Kentucky - Louisville: Photo Album Kentucky - Paducah: Photo Gallery

What Is Cyberspace?

ERIC Educational Resources Information Center

Bauwens, Michel

1994-01-01

Discusses the concept of cyberspace, defines three different levels that have been or will be attained, and compares it with mediaspace; examines the concept of virtualization, particularly the virtual library, and defines three different levels; and describes the concepts of cybrarians, cyberocracy, and cyberology. (Contains seven references.)…

Virtual patient instruction for dental students: can it improve dental care access for persons with special needs?

PubMed

Sanders, Carla; Kleinert, Harold L; Boyd, Sara E; Herren, Chris; Theiss, Lynn; Mink, John

2008-01-01

An interactive, virtual-patient module was produced on compact disc (CD-ROM) in response to the critical need to increase dental students' clinical exposure to patients with developmental disabilities. A content development team consisting of dental faculty members, parents of children with developmental disabilities, an individual with a developmental disability, and educational specialists developed the interactive, virtual-patient module. The module focused on a young man with congenital deafblindness presenting as a new patient with a painful molar. Students were required to make decisions regarding clinical interactions throughout the module. Differences in both comfort and knowledge level were measured pre- and post-module completion, as well as the dental students' overall satisfaction with the learning experience. Significant results were obtained in students' perceived comfort and knowledge base. Participants reported overall satisfaction using the modules. This study demonstrated that an interactive, multi-media (CD-ROM), virtual patient learning module for dental students could be an effective tool in providing students needed clinical exposure to patients with developmental disabilities.

A Spectrum of Interoperability: The Site for Science Prototype for the NSDL; Re-Inventing the Wheel? Standards, Interoperability and Digital Cultural Content; Preservation Risk Management for Web Resources: Virtual Remote Control in Cornell's Project Prism; Safekeeping: A Cooperative Approach to Building a Digital Preservation Resource; Object Persistence and Availability in Digital Libraries; Illinois Digital Cultural Heritage Community-Collaborative Interactions among Libraries, Museums and Elementary Schools.

ERIC Educational Resources Information Center

Arms, William Y.; Hillmann, Diane; Lagoze, Carl; Krafft, Dean; Marisa, Richard; Saylor, John; Terizzi, Carol; Van de Sompel, Herbert; Gill, Tony; Miller, Paul; Kenney, Anne R.; McGovern, Nancy Y.; Botticelli, Peter; Entlich, Richard; Payette, Sandra; Berthon, Hilary; Thomas, Susan; Webb, Colin; Nelson, Michael L.; Allen, B. Danette; Bennett, Nuala A.; Sandore, Beth; Pianfetti, Evangeline S.

2002-01-01

Discusses digital libraries, including interoperability, metadata, and international standards; Web resource preservation efforts at Cornell University; digital preservation at the National Library of Australia; object persistence and availability; collaboration among libraries, museums and elementary schools; Asian digital libraries; and a Web…

The National Transport Code Collaboration Module Library

NASA Astrophysics Data System (ADS)

Kritz, A. H.; Bateman, G.; Kinsey, J.; Pankin, A.; Onjun, T.; Redd, A.; McCune, D.; Ludescher, C.; Pletzer, A.; Andre, R.; Zakharov, L.; Lodestro, L.; Pearlstein, L. D.; Jong, R.; Houlberg, W.; Strand, P.; Wiley, J.; Valanju, P.; John, H. St.; Waltz, R.; Mandrekas, J.; Mau, T. K.; Carlsson, J.; Braams, B.

2004-12-01

This paper reports on the progress in developing a library of code modules under the auspices of the National Transport Code Collaboration (NTCC). Code modules are high quality, fully documented software packages with a clearly defined interface. The modules provide a variety of functions, such as implementing numerical physics models; performing ancillary functions such as I/O or graphics; or providing tools for dealing with common issues in scientific programming such as portability of Fortran codes. Researchers in the plasma community submit code modules, and a review procedure is followed to insure adherence to programming and documentation standards. The review process is designed to provide added confidence with regard to the use of the modules and to allow users and independent reviews to validate the claims of the modules' authors. All modules include source code; clear instructions for compilation of binaries on a variety of target architectures; and test cases with well-documented input and output. All the NTCC modules and ancillary information, such as current standards and documentation, are available from the NTCC Module Library Website http://w3.pppl.gov/NTCC. The goal of the project is to develop a resource of value to builders of integrated modeling codes and to plasma physics researchers generally. Currently, there are more than 40 modules in the module library.

Ultra-High-Throughput Structure-Based Virtual Screening for Small-Molecule Inhibitors of Protein-Protein Interactions

PubMed Central

Johnson, David K.; Karanicolas, John

2016-01-01

Protein-protein interactions play important roles in virtually all cellular processes, making them enticing targets for modulation by small-molecule therapeutics: specific examples have been well validated in diseases ranging from cancer and autoimmune disorders, to bacterial and viral infections. Despite several notable successes, however, overall these remain a very challenging target class. Protein interaction sites are especially challenging for computational approaches, because the target protein surface often undergoes a conformational change to enable ligand binding: this confounds traditional approaches for virtual screening. Through previous studies, we demonstrated that biased “pocket optimization” simulations could be used to build collections of low-energy pocket-containing conformations, starting from an unbound protein structure. Here, we demonstrate that these pockets can further be used to identify ligands that complement the protein surface. To do so, we first build from a given pocket its “exemplar”: a perfect, but non-physical, pseudo-ligand that would optimally match the shape and chemical features of the pocket. In our previous studies, we used these exemplars to quantitatively compare protein surface pockets to one another. Here, we now introduce this exemplar as a template for pharmacophore-based screening of chemical libraries. Through a series of benchmark experiments, we demonstrate that this approach exhibits comparable performance as traditional docking methods for identifying known inhibitors acting at protein interaction sites. However, because this approach is predicated on ligand/exemplar overlays, and thus does not require explicit calculation of protein-ligand interactions, exemplar screening provides a tremendous speed advantage over docking: 6 million compounds can be screened in about 15 minutes on a single 16-core, dual-GPU computer. The extreme speed at which large compound libraries can be traversed easily enables screening against a “pocket-optimized” ensemble of protein conformations, which in turn facilitates identification of more diverse classes of active compounds for a given protein target. PMID:26726827

A Rapid Python-Based Methodology for Target-Focused Combinatorial Library Design.

PubMed

Li, Shiliang; Song, Yuwei; Liu, Xiaofeng; Li, Honglin

2016-01-01

The chemical space is so vast that only a small portion of it has been examined. As a complementary approach to systematically probe the chemical space, virtual combinatorial library design has extended enormous impacts on generating novel and diverse structures for drug discovery. Despite the favorable contributions, high attrition rates in drug development that mainly resulted from lack of efficacy and side effects make it increasingly challenging to discover good chemical starting points. In most cases, focused libraries, which are restricted to particular regions of the chemical space, are deftly exploited to maximize hit rate and improve efficiency at the beginning of the drug discovery and drug development pipeline. This paper presented a valid methodology for fast target-focused combinatorial library design in both reaction-based and production-based ways with the library creating rates of approximately 70,000 molecules per second. Simple, quick and convenient operating procedures are the specific features of the method. SHAFTS, a hybrid 3D similarity calculation software, was embedded to help refine the size of the libraries and improve hit rates. Two target-focused (p38-focused and COX2-focused) libraries were constructed efficiently in this study. This rapid library enumeration method is portable and applicable to any other targets for good chemical starting points identification collaborated with either structure-based or ligand-based virtual screening.

3D indoor modeling using a hand-held embedded system with multiple laser range scanners

NASA Astrophysics Data System (ADS)

Hu, Shaoxing; Wang, Duhu; Xu, Shike

2016-10-01

Accurate three-dimensional perception is a key technology for many engineering applications, including mobile mapping, obstacle detection and virtual reality. In this article, we present a hand-held embedded system designed for constructing 3D representation of structured indoor environments. Different from traditional vehicle-borne mobile mapping methods, the system presented here is capable of efficiently acquiring 3D data while an operator carrying the device traverses through the site. It consists of a simultaneous localization and mapping(SLAM) module, a 3D attitude estimate module and a point cloud processing module. The SLAM is based on a scan matching approach using a modern LIDAR system, and the 3D attitude estimate is generated by a navigation filter using inertial sensors. The hardware comprises three 2D time-flight laser range finders and an inertial measurement unit(IMU). All the sensors are rigidly mounted on a body frame. The algorithms are developed on the frame of robot operating system(ROS). The 3D model is constructed using the point cloud library(PCL). Multiple datasets have shown robust performance of the presented system in indoor scenarios.

Development and experimental test of support vector machines virtual screening method for searching Src inhibitors from large compound libraries.

PubMed

Han, Bucong; Ma, Xiaohua; Zhao, Ruiying; Zhang, Jingxian; Wei, Xiaona; Liu, Xianghui; Liu, Xin; Zhang, Cunlong; Tan, Chunyan; Jiang, Yuyang; Chen, Yuzong

2012-11-23

Src plays various roles in tumour progression, invasion, metastasis, angiogenesis and survival. It is one of the multiple targets of multi-target kinase inhibitors in clinical uses and trials for the treatment of leukemia and other cancers. These successes and appearances of drug resistance in some patients have raised significant interest and efforts in discovering new Src inhibitors. Various in-silico methods have been used in some of these efforts. It is desirable to explore additional in-silico methods, particularly those capable of searching large compound libraries at high yields and reduced false-hit rates. We evaluated support vector machines (SVM) as virtual screening tools for searching Src inhibitors from large compound libraries. SVM trained and tested by 1,703 inhibitors and 63,318 putative non-inhibitors correctly identified 93.53%~ 95.01% inhibitors and 99.81%~ 99.90% non-inhibitors in 5-fold cross validation studies. SVM trained by 1,703 inhibitors reported before 2011 and 63,318 putative non-inhibitors correctly identified 70.45% of the 44 inhibitors reported since 2011, and predicted as inhibitors 44,843 (0.33%) of 13.56M PubChem, 1,496 (0.89%) of 168 K MDDR, and 719 (7.73%) of 9,305 MDDR compounds similar to the known inhibitors. SVM showed comparable yield and reduced false hit rates in searching large compound libraries compared to the similarity-based and other machine-learning VS methods developed from the same set of training compounds and molecular descriptors. We tested three virtual hits of the same novel scaffold from in-house chemical libraries not reported as Src inhibitor, one of which showed moderate activity. SVM may be potentially explored for searching Src inhibitors from large compound libraries at low false-hit rates.

Library Skills and Resources for Business Research.

ERIC Educational Resources Information Center

Lyle, Stanley P.; Ashbaugh, Donald L.

This independent study module is intended to introduce business administration students and managers to business information available in books, periodicals, and other library sources, and to teach library search strategies for the acquisition of needed information with a minimum expenditure of time. The module consists of six parts. The first…

Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors

PubMed Central

2013-01-01

We describe and apply a scaffold-focused virtual screen based upon scaffold trees to the mitotic kinase TTK (MPS1). Using level 1 of the scaffold tree, we perform both 2D and 3D similarity searches between a query scaffold and a level 1 scaffold library derived from a 2 million compound library; 98 compounds from 27 unique top-ranked level 1 scaffolds are selected for biochemical screening. We show that this scaffold-focused virtual screen prospectively identifies eight confirmed active compounds that are structurally differentiated from the query compound. In comparison, 100 compounds were selected for biochemical screening using a virtual screen based upon whole molecule similarity resulting in 12 confirmed active compounds that are structurally similar to the query compound. We elucidated the binding mode for four of the eight confirmed scaffold hops to TTK by determining their protein–ligand crystal structures; each represents a ligand-efficient scaffold for inhibitor design. PMID:23672464

Virtual odors to transmit emotions in virtual agents

NASA Astrophysics Data System (ADS)

Delgado-Mata, Carlos; Aylett, Ruth

2003-04-01

In this paper we describe an emotional-behvioral architecture. The emotional engine sits at a higher layer than the behavior system, and can alter behavior patterns, the engine is designed to simulate Emotionally-Intelligent Agents in a Virtual Environment, where each agent senses its own emotions, and other creature emotions through a virtual smell sensor; senses obstacles and other moving creatures in the environment and reacts to them. The architecture consists of an emotion engine, behavior synthesis system, a motor layer and a library of sensors.

Online Library Card Registration Enables Free Passage to Digital Gems

ERIC Educational Resources Information Center

Butler, Lorrie Ann; Kantor-Horning, Susan

2007-01-01

The Contra Costa County Library is located within the greater San Francisco Bay Area. With 26 physical locations and a virtual branch, it has more than 400,000 cardholders and serves a population of almost 1 million. As part of developing a strategic plan to meet the needs of the public in the 21st century, the library hired a consultant to gather…

Web 2.0 as Catalyst: Virtually Reaching Out to Users and Connecting Them to Library Resources and Services

ERIC Educational Resources Information Center

Xiao, Norah

2008-01-01

This article is based on services to library users in the area of chemistry at the Science and Engineering (S&E) Library of the University of Southern California (USC), to which I applied various new technologies as outreach approaches. Various Web 2.0 technologies such as a blog, tags, YouTube, RSS feeds, Instant Messaging, online…

The Virtual Brain: a simulator of primate brain network dynamics.

PubMed

Sanz Leon, Paula; Knock, Stuart A; Woodman, M Marmaduke; Domide, Lia; Mersmann, Jochen; McIntosh, Anthony R; Jirsa, Viktor

2013-01-01

We present The Virtual Brain (TVB), a neuroinformatics platform for full brain network simulations using biologically realistic connectivity. This simulation environment enables the model-based inference of neurophysiological mechanisms across different brain scales that underlie the generation of macroscopic neuroimaging signals including functional MRI (fMRI), EEG and MEG. Researchers from different backgrounds can benefit from an integrative software platform including a supporting framework for data management (generation, organization, storage, integration and sharing) and a simulation core written in Python. TVB allows the reproduction and evaluation of personalized configurations of the brain by using individual subject data. This personalization facilitates an exploration of the consequences of pathological changes in the system, permitting to investigate potential ways to counteract such unfavorable processes. The architecture of TVB supports interaction with MATLAB packages, for example, the well known Brain Connectivity Toolbox. TVB can be used in a client-server configuration, such that it can be remotely accessed through the Internet thanks to its web-based HTML5, JS, and WebGL graphical user interface. TVB is also accessible as a standalone cross-platform Python library and application, and users can interact with the scientific core through the scripting interface IDLE, enabling easy modeling, development and debugging of the scientific kernel. This second interface makes TVB extensible by combining it with other libraries and modules developed by the Python scientific community. In this article, we describe the theoretical background and foundations that led to the development of TVB, the architecture and features of its major software components as well as potential neuroscience applications.

The Virtual Brain: a simulator of primate brain network dynamics

PubMed Central

Sanz Leon, Paula; Knock, Stuart A.; Woodman, M. Marmaduke; Domide, Lia; Mersmann, Jochen; McIntosh, Anthony R.; Jirsa, Viktor

2013-01-01

We present The Virtual Brain (TVB), a neuroinformatics platform for full brain network simulations using biologically realistic connectivity. This simulation environment enables the model-based inference of neurophysiological mechanisms across different brain scales that underlie the generation of macroscopic neuroimaging signals including functional MRI (fMRI), EEG and MEG. Researchers from different backgrounds can benefit from an integrative software platform including a supporting framework for data management (generation, organization, storage, integration and sharing) and a simulation core written in Python. TVB allows the reproduction and evaluation of personalized configurations of the brain by using individual subject data. This personalization facilitates an exploration of the consequences of pathological changes in the system, permitting to investigate potential ways to counteract such unfavorable processes. The architecture of TVB supports interaction with MATLAB packages, for example, the well known Brain Connectivity Toolbox. TVB can be used in a client-server configuration, such that it can be remotely accessed through the Internet thanks to its web-based HTML5, JS, and WebGL graphical user interface. TVB is also accessible as a standalone cross-platform Python library and application, and users can interact with the scientific core through the scripting interface IDLE, enabling easy modeling, development and debugging of the scientific kernel. This second interface makes TVB extensible by combining it with other libraries and modules developed by the Python scientific community. In this article, we describe the theoretical background and foundations that led to the development of TVB, the architecture and features of its major software components as well as potential neuroscience applications. PMID:23781198

Changing Roles for References Librarians.

ERIC Educational Resources Information Center

Kelly, Julia; Robbins, Kathryn

1996-01-01

Discusses the future outlook for reference librarians, with topics including: "Technology as the Source of Change"; "Impact of the Internet"; "Defining the Virtual Library"; "Rethinking Reference"; "Out of the Library and into the Streets"; "Asking Users About Their Needs"; "Standardization and Artificial Intelligence"; "The Financial Future"; and…

Providing Services to Virtual Patrons.

ERIC Educational Resources Information Center

Hulshof, Robert

1999-01-01

Discusses the types of services libraries need to support patrons who access the library via the Internet or e-mail. Highlights include issues in technical support; establishing policies and procedures; tools for technical support, including hardware and software; impacts of technical support on staff; and future possibilities. (LRW)

Designing and Managing Your Digital Library.

ERIC Educational Resources Information Center

Guenther, Kim

2000-01-01

Discusses digital libraries and Web site design issues. Highlights include accessibility issues, including standards, markup languages like HTML and XML, and metadata; building virtual communities; the use of Web portals for customized delivery of information; quality assurance tools, including data mining; and determining user needs, including…

Primary Multimedia Objects and 'Educational Metadata' A Fundamental Dilemma for Developers of Multimedia Archives; Evaluation of Digital Library Impact and User Communities by Analysis of Usage Patterns; The KYVL Kentuckiana Digital Library Project: Background and Current Status; DPDx Collection.

ERIC Educational Resources Information Center

Shabajee, Paul; Bollen, Johan; Luce, Rick; Weig, Eric

2002-01-01

Includes four articles that discuss multimedia educational database systems and the use of metadata, including repurposing; the evaluation of digital library use that analyzes the retrieval habits of users; the Kentucky Virtual Library (KYVL) and digital collection project; and the collection of the Division of Parasitic Diseases, Centers for…

California Cultures: Implementing a Model for Virtual Collections

ERIC Educational Resources Information Center

Guerard, Genie; Chandler, Robin L.

2006-01-01

This article highlights the California Cultures Project as a case study examining the architecture and framework required to support the deployment of digital objects as virtual collections at the California Digital Library. Chronologically arranged, it describes the Online Archive of California (OAC) Working Group's functional requirements for…

LSM I: Library Skills Module for English 131.

ERIC Educational Resources Information Center

Wright, Nancy Kirkpatrick

This learning module provides 11 lessons to acquaint English Composition I students at Yavapai College (YC) with the facilities and resources of the YC Library. After introductory material describing course requirements, providing instructions, and locating the campuses' libraries, Lesson I explains how to check out a book, put a book on hold, and…

A kinase-focused compound collection: compilation and screening strategy.

PubMed

Sun, Dongyu; Chuaqui, Claudio; Deng, Zhan; Bowes, Scott; Chin, Donovan; Singh, Juswinder; Cullen, Patrick; Hankins, Gretchen; Lee, Wen-Cherng; Donnelly, Jason; Friedman, Jessica; Josiah, Serene

2006-06-01

Lead identification by high-throughput screening of large compound libraries has been supplemented with virtual screening and focused compound libraries. To complement existing approaches for lead identification at Biogen Idec, a kinase-focused compound collection was designed, developed and validated. Two strategies were adopted to populate the compound collection: a ligand shape-based virtual screening and a receptor-based approach (structural interaction fingerprint). Compounds selected with the two approaches were cherry-picked from an existing high-throughput screening compound library, ordered from suppliers and supplemented with specific medicinal compounds from internal programs. Promising hits and leads have been generated from the kinase-focused compound collection against multiple kinase targets. The principle of the collection design and screening strategy was validated and the use of the kinase-focused compound collection for lead identification has been added to existing strategies.

Optimizing use of library technology.

PubMed

Wink, Diane M; Killingsworth, Elizabeth K

2011-01-01

In this bimonthly series, the author examines how nurse educators can use the Internet and Web-based computer technologies such as search, communication, collaborative writing tools; social networking and social bookmarking sites; virtual worlds; and Web-based teaching and learning programs. This article describes optimizing the use of library technology.

Going Prime Time with Live Chat Reference.

ERIC Educational Resources Information Center

Hoag, Tara J.; Cichanowicz, Edana McCaffrey

2001-01-01

Describes the development of the Suffolk Cooperative Library System's live, online chat reference service, a pilot project for public libraries in Suffolk County (New York). Topics include chat software selection; a virtual reference collection; marketing; funding; staffing; evaluation; expanded hours of service; email; and extracting data from…

Testing the Data Assimilation Capability of the Profiler Virtual Module

DTIC Science & Technology

2016-02-01

ARL-TR-7601 ● FEB 2016 US Army Research Laboratory Testing the Data Assimilation Capability of the Profiler Virtual Module by...originator. ARL-TR-7601 ● FEB 2016 US Army Research Laboratory Testing the Data Assimilation Capability of the Profiler Virtual...hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and

Virtual environment architecture for rapid application development

NASA Technical Reports Server (NTRS)

Grinstein, Georges G.; Southard, David A.; Lee, J. P.

1993-01-01

We describe the MITRE Virtual Environment Architecture (VEA), a product of nearly two years of investigations and prototypes of virtual environment technology. This paper discusses the requirements for rapid prototyping, and an architecture we are developing to support virtual environment construction. VEA supports rapid application development by providing a variety of pre-built modules that can be reconfigured for each application session. The modules supply interfaces for several types of interactive I/O devices, in addition to large-screen or head-mounted displays.

Team Leader: Tom Peters--TAP Information Services

ERIC Educational Resources Information Center

Library Journal, 2005

2005-01-01

Tom Peters packs 36 hours of work into the confines of a 24-hour day. Without breaking a sweat, he juggles multiple collaborative projects, which currently include an Illinois academic library shared storage facility; a multistate virtual reference and instruction service for blind and visually impaired individuals (InfoEyes); a virtual meeting…

Users and Union Catalogues

ERIC Educational Resources Information Center

Hartley, R. J.; Booth, Helen

2006-01-01

Union catalogues have had an important place in libraries for many years. Their use has been little investigated. Recent interest in the relative merits of physical and virtual union catalogues and a recent collaborative project between a physical and several virtual union catalogues in the United Kingdom led to the opportunity to study how users…

The early benefits of a problem-based approach to teaching social inclusion using an online virtual town.

PubMed

Beadle, Mary; Santy, Julie

2008-05-01

This article describes the delivery of a core pre-registration nursing and midwifery module centred on social inclusion. The module was previously delivered using a classroom-based problem-based learning approach. Difficulties with this approach led to changes to the module and its delivery. Logistic issues encouraged the module team to implement a blended learning approach using a virtual town to facilitate online learning and discussion activities. The paper describes and discusses the use of online learning technology to support student nurses and midwives. It highlights the benefits of this approach and outlines some of the experiences of the students including their evaluation of the virtual town. There is also an examination of some of the practical and theoretical issues related to both problem-based learning, online working and using a virtual town to support learning. This article outlines the approach taken and its implications.

Virtual Libraries: Interactive Support Software and an Application in Chaotic Models.

ERIC Educational Resources Information Center

Katsirikou, Anthi; Skiadas, Christos; Apostolou, Apostolos; Rompogiannakis, Giannis

This paper begins with a discussion of the characteristics and the singularity of chaotic systems, including dynamic systems theory, chaotic orbit, fractals, chaotic attractors, and characteristics of chaotic systems. The second section addresses the digital libraries (DL) concept and the appropriateness of chaotic models, including definition and…

A Solution in Search of a Problem: Bibliometrics and Libraries.

ERIC Educational Resources Information Center

Wallace, Danny P.

1987-01-01

The literature of bibliometrics suggests that the results of bibliometric studies can be of practical use in libraries by providing a scientific basis for collection management decisions. Reports on the application of these studies are virtually nonexistent and a number of reasons for this are suggested. (EM)

Browsing Your Virtual Library: The Case of Expanding Universe.

ERIC Educational Resources Information Center

Daniels, Wayne; Enright, Jeanne; Mackenzie, Scott

1997-01-01

Describes "Expanding Universe: a classified search tool for amateur astronomy," a Web site maintained by the Metropolitan Toronto Reference Library which uses a modified form of the Dewey Decimal Classification to organize a large file of astronomy hotlinks. Highlights include structure, HTML coding, design requirements, and future…

Delivered! A Mid-Sized Academic Library's Experience with Distance Education

ERIC Educational Resources Information Center

Bartnik, Linda

2010-01-01

Murray State University (Kentucky) has been experimenting with various means of document delivery and research instruction for its online only and satellite campuses. These include ILLiad-based document delivery, Camtasia-to-UTube tutorials, a discipline-based service called Library on Blackboard, Eluminate and other virtual instructional methods.…

Preparing to Teach in Cyberspace: User Education in Real and Virtual Libraries.

ERIC Educational Resources Information Center

Byron, Suzanne

1995-01-01

Discussion of librarians' training for teaching user education focuses on experiments at the University of North Texas in providing resources and empowering education for librarians and staff members who teach. The use of computer-based education principles and Ranganathan's laws of library science are explained. (Author/LRW)

The virtual laboratory: a new on-line resource for the history of psychology.

PubMed

Schmidgen, Henning; Evans, Rand B

2003-05-01

The authors provide a description of the Virtual Laboratory at Department III of the Max Planck Institute for the History of Science in Berlin. The Virtual Laboratory currently provides Internet links to rooms that present texts, instruments, model organisms, research sites, and biographies. Existing links provide access to a library of journals, handbooks, monographs, and trade catalogues; research institutes and laboratories; biographies and bibliographic essays; and essays by contemporary researchers. Historians of psychology are encouraged to submit photographic material and essays to the Virtual Laboratory.

One New Method to Generate 3-Dimensional Virtual Mannequin

NASA Astrophysics Data System (ADS)

Xiu-jin, Shi; Zhi-jun, Wang; Jia-jin, Le

The personal virtual mannequin is very important in electronic made to measure (eMTM) system. There is one new easy method to generate personal virtual mannequin. First, the characteristic information of customer's body is got from two photos. Secondly, some human body part templates corresponding with the customer are selected from the templates library. Thirdly, these templates are modified and assembled according to certain rules to generate a personalized 3-dimensional human, and then the virtual mannequin is realized. Experimental result shows that the method is easy and feasible.

On various metrics used for validation of predictive QSAR models with applications in virtual screening and focused library design.

PubMed

Roy, Kunal; Mitra, Indrani

2011-07-01

Quantitative structure-activity relationships (QSARs) have important applications in drug discovery research, environmental fate modeling, property prediction, etc. Validation has been recognized as a very important step for QSAR model development. As one of the important objectives of QSAR modeling is to predict activity/property/toxicity of new chemicals falling within the domain of applicability of the developed models and QSARs are being used for regulatory decisions, checking reliability of the models and confidence of their predictions is a very important aspect, which can be judged during the validation process. One prime application of a statistically significant QSAR model is virtual screening for molecules with improved potency based on the pharmacophoric features and the descriptors appearing in the QSAR model. Validated QSAR models may also be utilized for design of focused libraries which may be subsequently screened for the selection of hits. The present review focuses on various metrics used for validation of predictive QSAR models together with an overview of the application of QSAR models in the fields of virtual screening and focused library design for diverse series of compounds with citation of some recent examples.

Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings.

PubMed

Lee, Hyun; Mittal, Anuradha; Patel, Kavankumar; Gatuz, Joseph L; Truong, Lena; Torres, Jaime; Mulhearn, Debbie C; Johnson, Michael E

2014-01-01

We have used a combination of virtual screening (VS) and high-throughput screening (HTS) techniques to identify novel, non-peptidic small molecule inhibitors against human SARS-CoV 3CLpro. A structure-based VS approach integrating docking and pharmacophore based methods was employed to computationally screen 621,000 compounds from the ZINC library. The screening protocol was validated using known 3CLpro inhibitors and was optimized for speed, improved selectivity, and for accommodating receptor flexibility. Subsequently, a fluorescence-based enzymatic HTS assay was developed and optimized to experimentally screen approximately 41,000 compounds from four structurally diverse libraries chosen mainly based on the VS results. False positives from initial HTS hits were eliminated by a secondary orthogonal binding analysis using surface plasmon resonance (SPR). The campaign identified a reversible small molecule inhibitor exhibiting mixed-type inhibition with a K(i) value of 11.1 μM. Together, these results validate our protocols as suitable approaches to screen virtual and chemical libraries, and the newly identified compound reported in our study represents a promising structural scaffold to pursue for further SARS-CoV 3CLpro inhibitor development. Copyright © 2013. Published by Elsevier Ltd.

Data Resources for the Computer-Guided Discovery of Bioactive Natural Products.

PubMed

Chen, Ya; de Bruyn Kops, Christina; Kirchmair, Johannes

2017-09-25

Natural products from plants, animals, marine life, fungi, bacteria, and other organisms are an important resource for modern drug discovery. Their biological relevance and structural diversity make natural products good starting points for drug design. Natural product-based drug discovery can benefit greatly from computational approaches, which are a valuable precursor or supplementary method to in vitro testing. We present an overview of 25 virtual and 31 physical natural product libraries that are useful for applications in cheminformatics, in particular virtual screening. The overview includes detailed information about each library, the extent of its structural information, and the overlap between different sources of natural products. In terms of chemical structures, there is a large overlap between freely available and commercial virtual natural product libraries. Of particular interest for drug discovery is that at least ten percent of known natural products are readily purchasable and many more natural products and derivatives are available through on-demand sourcing, extraction and synthesis services. Many of the readily purchasable natural products are of small size and hence of relevance to fragment-based drug discovery. There are also an increasing number of macrocyclic natural products and derivatives becoming available for screening.

The ecological and construct validity of a newly developed measure of executive function: the Virtual Library Task.

PubMed

Renison, Belinda; Ponsford, Jennie; Testa, Renee; Richardson, Barry; Brownfield, Kylie

2012-05-01

Virtual reality (VR) assessment paradigms have the potential to address the limited ecological validity of pen and paper measures of executive function (EF) and the pragmatic and reliability issues associated with functional measures. To investigate the ecological validity and construct validity of a newly developed VR measure of EF, the Virtual Library Task (VLT); a real life analogous task--the Real Library Task (RLT); and five neuropsychological measures of EF were administered to 30 patients with traumatic brain injury (TBI) and 30 healthy Controls. Significant others for each participant also completed the Dysexecutive Questionnaire (DEX), which is a behavioral rating scale of everyday EF. Performances on the VLT and the RLT were significantly positively correlated indicating that VR performance is similar to real world performance. The TBI group performed significantly worse than the Control group on the VLT and the Modified Six Elements Test (MSET) but the other four neuropsychological measures of EF failed to differentiate the groups. Both the MSET and the VLT significantly predicted everyday EF suggesting that they are both ecologically valid tools for the assessment of EF. The VLT has the advantage over the MSET of providing objective measurement of individual components of EF.

[Virtual educational proposal in cardiopulmonary resuscitation for the neonate care].

PubMed

Gonçalves, Gilciane Ribeiro; Peres, Heloisa Helena Ciqueto; Rodrigues, Rita de Cássia; Tronchin, Daisy Maria Rizatto; Pereira, Irene Mari

2010-06-01

The purpose of this study was to develop an educational proposal using virtual multimedia resources, to innovate, stimulate and diversify areas of communication and interaction, facilitating nurses' autonomous and reflexive process of teaching and learning. This is an applied research, following the cyclical and interactive phases of designing, planning, developing and implementing. The educational proposal was developed on the TelEduc platform, using specific tools for content organization and communication between students and administrator. The teaching modules were on the following themes: Module 1--Fundamentals of the heart anatomy and physiology in newborns; Module 2--Risk factors for the occurrence of cardiorespiratory arrest in newborns; Module 3--Planning nursing care; Module 4--Medications used in cardiopulmonary arrests in newborns; and Module 5--Cardiorespiratory arrest care in newborns. This study may contribute to innovating teaching in nursing from a virtual educational proposal on the important issue of newborn cardiopulmonary resuscitation care.

[Selection of a melanine concentrating hormone receptor-1 (MCHR1) antagonists' focused library and its biological screening with AequoScreen].

PubMed

Flachner, Beáta; Hajdú, István; Dobi, Krisztina; Lorincz, Zsolt; Cseh, Sándor; Dormán, György

2013-01-01

Target focused libraries can be rapidly selected by 2D virtual screening methods from multimillion compounds' repositories if structures of active compounds are available. In the present study a multi-step virtual and in vitro screening cascade is reported to select Melanin Concentrating Hormone Receptor-1 (MCHR1) antagonists. The 2D similarity search combined with physicochemical parameter filtering is suitable for selecting candidates from multimillion compounds' repository. The seeds of the first round virtual screening were collected from the literature and commercial databases, while the seeds of the second round were the hits of the first round. In vitro screening underlined the efficiency of our approach, as in the second screening round the hit rate (8.6 %) significantly improved compared to the first round (1.9%), reaching the antagonist activity even below 10 nM.

Building the Virtual Reference Desk in a 24/7 World. OCLC/Library of Congress Symposium at ALA Midwinter 2001 (Washington, DC, January 12, 2001). Tape 1 [and] Tape 2. [Videotapes].

ERIC Educational Resources Information Center

Library of Congress, Washington, DC.

With the emergence of Web help services, libraries are no longer the lone providers of information. Today's researchers need to find quickly information that is usable, relevant, authoritative, and verifiable. To meet that need, libraries must adapt traditional strengths of acquiring, describing, and serving information to an environment that is…

Vision-based navigation in a dynamic environment for virtual human

NASA Astrophysics Data System (ADS)

Liu, Yan; Sun, Ji-Zhou; Zhang, Jia-Wan; Li, Ming-Chu

2004-06-01

Intelligent virtual human is widely required in computer games, ergonomics software, virtual environment and so on. We present a vision-based behavior modeling method to realize smart navigation in a dynamic environment. This behavior model can be divided into three modules: vision, global planning and local planning. Vision is the only channel for smart virtual actor to get information from the outside world. Then, the global and local planning module use A* and D* algorithm to find a way for virtual human in a dynamic environment. Finally, the experiments on our test platform (Smart Human System) verify the feasibility of this behavior model.

SPOT-ligand 2: improving structure-based virtual screening by binding-homology search on an expanded structural template library.

PubMed

Litfin, Thomas; Zhou, Yaoqi; Yang, Yuedong

2017-04-15

The high cost of drug discovery motivates the development of accurate virtual screening tools. Binding-homology, which takes advantage of known protein-ligand binding pairs, has emerged as a powerful discrimination technique. In order to exploit all available binding data, modelled structures of ligand-binding sequences may be used to create an expanded structural binding template library. SPOT-Ligand 2 has demonstrated significantly improved screening performance over its previous version by expanding the template library 15 times over the previous one. It also performed better than or similar to other binding-homology approaches on the DUD and DUD-E benchmarks. The server is available online at http://sparks-lab.org . yaoqi.zhou@griffith.edu.au or yuedong.yang@griffith.edu.au. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Protocols for the Design of Kinase-focused Compound Libraries.

PubMed

Jacoby, Edgar; Wroblowski, Berthold; Buyck, Christophe; Neefs, Jean-Marc; Meyer, Christophe; Cummings, Maxwell D; van Vlijmen, Herman

2018-05-01

Protocols for the design of kinase-focused compound libraries are presented. Kinase-focused compound libraries can be differentiated based on the design goal. Depending on whether the library should be a discovery library specific for one particular kinase, a general discovery library for multiple distinct kinase projects, or even phenotypic screening, there exists today a variety of in silico methods to design candidate compound libraries. We address the following scenarios: 1) Datamining of SAR databases and kinase focused vendor catalogues; 2) Predictions and virtual screening; 3) Structure-based design of combinatorial kinase inhibitors; 4) Design of covalent kinase inhibitors; 5) Design of macrocyclic kinase inhibitors; and 6) Design of allosteric kinase inhibitors and activators. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Now It's Necessary: Virtual Reference Services at Washington State University, Pullman

ERIC Educational Resources Information Center

Nicol, Erica Carlson; Crook, Linda

2013-01-01

While virtual reference services (VRS) are becoming more and more common in academic libraries, implementing and maintaining well-used and effective VRS can be a challenge in the face of competing demands on time, staffing, and funding. Between 2011 and 2012, librarians at Washington State University, Pullman (WSU) have overhauled and reorganized…

The Virtual City: Putting Charleston on the World Wide Web.

ERIC Educational Resources Information Center

Beagle, Donald

1996-01-01

Describes the Charleston Multimedia Project, a World Wide Web guide to the history, architecture, and culture of Charleston, South Carolina, which includes a timeline and virtual tours. Incorporates materials issued by many agencies that were previously held in vertical files. The Charleston County Library's role and future plans are also…

Learning Objects and Virtual Learning Environments Technical Evaluation Criteria

ERIC Educational Resources Information Center

Kurilovas, Eugenijus; Dagiene, Valentina

2009-01-01

The main scientific problems investigated in this article deal with technical evaluation of quality attributes of the main components of e-Learning systems (referred here as DLEs--Digital Libraries of Educational Resources and Services), i.e., Learning Objects (LOs) and Virtual Learning Environments (VLEs). The main research object of the work is…

A "Second Life" for Educators

ERIC Educational Resources Information Center

Waters, John K.

2009-01-01

In this article, the author talks about the 3D virtual world known as Second Life and its potential as a learning platform. In the last few years, many colleges, universities, and libraries have established resources in what has become the preeminent multiuser virtual environment. Today, more than 100 Second Life "regions" are used for educational…

Colonel Mustard in the Library with the Knife...Experiencing Virtual Teaming.

ERIC Educational Resources Information Center

Roebuck, Deborah Britt

Virtual teaming has come to stay in the fast developing world of communication as it brings more value to customers, saves costs, accelerates competence, and leverages organizational learning. Therefore, students need to be educated about this new type of team and the tools that are available to facilitate communication and to enhance…

75 FR 8322 - EPIC Merchant Energy NJ/PA, LP, SESCO Enterprises, LLC, Coaltrain Energy, LP, Complainants, v...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-24

... Respondent is improperly allocating physical transmission line losses to virtual transactions and also distributing over-collected transmission line losses in a manner that discriminates against virtual Market... , using the ``eLibrary'' link and is available for review in the Commission's Public Reference Room in...

Create a Sense of Place for the Mobile Learner

ERIC Educational Resources Information Center

Hemmig, William; Johnstone, Brian T.; Montet, Margaret

2012-01-01

"Sense of place" no longer applies only to the physical library. All students are distance learners to one extent or another, and all distance services must be considered as a single virtual learning commons. Librarians at Bucks County (PA) Community College implement and integrate current teaching, learning, virtual reference, and mobile access…

Virtual OPACs versus Union Database: Two Models of Union Catalogue Provision.

ERIC Educational Resources Information Center

Cousins, Shirley

1999-01-01

Considers some of the major technical and organizational issues involved in virtual-catalog production, contrasting them with the traditional union catalog approach exemplified by COPAC, an online public-access catalog composed of academic libraries in the United Kingdom. Suggest a method of integrating these two models of the union catalog.…

Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein-Ligand Docking Method.

PubMed

Shin, Woong-Hee; Kihara, Daisuke

2018-01-01

Virtual screening is a computational technique for predicting a potent binding compound for a receptor protein from a ligand library. It has been a widely used in the drug discovery field to reduce the efforts of medicinal chemists to find hit compounds by experiments.Here, we introduce our novel structure-based virtual screening program, PL-PatchSurfer, which uses molecular surface representation with the three-dimensional Zernike descriptors, which is an effective mathematical representation for identifying physicochemical complementarities between local surfaces of a target protein and a ligand. The advantage of the surface-patch description is its tolerance on a receptor and compound structure variation. PL-PatchSurfer2 achieves higher accuracy on apo form and computationally modeled receptor structures than conventional structure-based virtual screening programs. Thus, PL-PatchSurfer2 opens up an opportunity for targets that do not have their crystal structures. The program is provided as a stand-alone program at http://kiharalab.org/plps2 . We also provide files for two ligand libraries, ChEMBL and ZINC Drug-like.

The Social Ties That Bind. Online Treasures

ERIC Educational Resources Information Center

Balas, Janet L.

2006-01-01

This article discusses how, in the new world of the information age, libraries must seek to bring relevant services to their technically savvy patrons. This includes designing a library that can serve not only the geographic community, but also the virtual online community. Software used to create online communities is known as social software and…

Piquing Student Curiosity with Title Pages from Works by Hobbes, Locke, and Rousseau

ERIC Educational Resources Information Center

Porter, Lee Ann

2013-01-01

Long before public libraries, online bookstores that ship directly to our homes, technologies that enable the downloading of publications directly to mobile devices, and social networks supporting virtual book clubs, eighteenth-century book readers relied heavily on literary societies, subscription libraries, and the advice of and selections made…

Stay the Course: Managing Online Presence

ERIC Educational Resources Information Center

Fredrick, Kathy

2009-01-01

How can a school librarian share instruction and information with students and colleagues in the virtual world? Library Web pages make resources available 24/7. New tools available to schools can also give new options in making a Web presence known. This article suggests a plan for school librarians on how they can manage their libraries' online…

Spanning the Globe: Inter-Governmental Organization (IGO) Information on the Internet.

ERIC Educational Resources Information Center

Harley, Bruce

1995-01-01

Describes gateway systems that can be used to access intergovernmental organization (IGO) information via the Internet, especially IGOs belonging to or affiliated with the United Nations. Highlights include United Nations World Wide Web Site, United Nations Gopher, the World Wide Web Virtual Library, and the Library of Congress's MARVEL Gopher.…

Ordering Chaos: Eva Miller--Multnomah County Library, Portland, OR

ERIC Educational Resources Information Center

Library Journal, 2004

2004-01-01

Eva Miller has a knack for creating order out of disorder. She single-handedly brought Oregon's virtual reference service, Answerland, live in just under 90 days, says Rivkah Sass, now director of the Omaha Public Library. Miller created its web site, designed the graphics, developed marketing materials, and recruited and trained librarians--all…

VTLS Inc.: The Company, the Products, the Services, the Vision.

ERIC Educational Resources Information Center

Chachra, Vinod; And Others

1993-01-01

Describes the range of products and services offered by VTLS, a company that offers comprehensive, integrated library automation software and customer support. VTLS's growth and development in the United States and abroad is described, and nine sidebar articles detail system features and applications in public, academic, and virtual libraries. (20…

The Role of the Access Services Manager in the Virtual Library

ERIC Educational Resources Information Center

Jetton, Lora Lennertz; Bailey, Alberta S.

2010-01-01

This article updates a previous article published in 1992 that described the role of the access services manager in policy formation. Since that time, the access services department and mission has matured and evolved to a prominent position within the library organization. Technological changes and innovation in the marketplace of wired and…

Identification of potential glutaminyl cyclase inhibitors from lead-like libraries by in silico and in vitro fragment-based screening.

PubMed

Szaszkó, Mária; Hajdú, István; Flachner, Beáta; Dobi, Krisztina; Magyar, Csaba; Simon, István; Lőrincz, Zsolt; Kapui, Zoltán; Pázmány, Tamás; Cseh, Sándor; Dormán, György

2017-02-01

A glutaminyl cyclase (QC) fragment library was in silico selected by disconnection of the structure of known QC inhibitors and by lead-like 2D virtual screening of the same set. The resulting fragment library (204 compounds) was acquired from commercial suppliers and pre-screened by differential scanning fluorimetry followed by functional in vitro assays. In this way, 10 fragment hits were identified ([Formula: see text]5 % hit rate, best inhibitory activity: 16 [Formula: see text]). The in vitro hits were then docked to the active site of QC, and the best scoring compounds were analyzed for binding interactions. Two fragments bound to different regions in a complementary manner, and thus, linking those fragments offered a rational strategy to generate novel QC inhibitors. Based on the structure of the virtual linked fragment, a 77-membered QC target focused library was selected from vendor databases and docked to the active site of QC. A PubChem search confirmed that the best scoring analogues are novel, potential QC inhibitors.

A Diverging DOS Strategy Using an Allene-Containing Tryptophan Scaffold and a Library Design that Maximizes Biologically Relevant Chemical Space While Minimizing the Number of Compounds

PubMed Central

Painter, Thomas O.; Wang, Lirong; Majumder, Supriyo; Xie, Xiang-Qun; Brummond, Kay M.

2011-01-01

A diverging diversity-oriented synthesis (DOS) strategy using an allene-containing tryptophan as a key starting material was investigated. An allene-yne substituted derivative of tryptophan 12 gave indolylmethylazabicyclooctadiene 17 when subjected to a microwave-assisted allenic [2 + 2] cycloaddition reaction. This same tryptophan-derived precursor afforded an indolylmethyldihydrocyclopentapyridinone 14 when subjected to a rhodium(I)-catalyzed cyclocarbonylation reaction and an indolylmethylpyrrolidinocyclopentenones 16 when reacted with molybdenum hexacarbonyl. Construction of allenic tetrahydro-β-carboline scaffolds via a Pictet-Spengler reaction and subsequent silver(I)-catalyzed cycloisomerization afforded tetrahydroindolizinoindoles (21). Attachment of allene and alkyne groups to the tetrahydro-β-carboline followed by a microwave-assisted allenic [2 + 2] cycloaddition reaction provided tetrahydrocyclobutaindoloquinolizinones 24 and the tetrahydrocyclopentenone indolizinoindolone 26 when reacted with molybdenum hexacarbonyl. These six scaffolds were used as a template for the construction of a virtual library of 11,748 compounds employing 44 indoles, 12 aldehydes, and 51 alkynes. Diversity analyses using a combination of cell-based chemistry space computations using BCUT (Burden (B) CAS (C) Pearlman at the University of Texas (UT)) metrics and Tanimoto coefficient (Tc) similarity calculations using two-dimensional (2D) fingerprints showed that the compounds in the virtual library occupied new chemical space when compared to the 327,000 compounds in the molecular libraries small molecule repository (MLSMR). A subset of fifty-three compounds was identified from the virtual library using the DVS package of Sybyl 8.0; this subset represents the most diverse compounds within the chemical space defined by these compounds and will be synthesized and screened for biological activity. PMID:21332123

Distributed Drug Discovery, Part 2: Global Rehearsal of Alkylating Agents for the Synthesis of Resin-Bound Unnatural Amino Acids and Virtual D3 Catalog Construction

PubMed Central

2008-01-01

Distributed Drug Discovery (D3) proposes solving large drug discovery problems by breaking them into smaller units for processing at multiple sites. A key component of the synthetic and computational stages of D3 is the global rehearsal of prospective reagents and their subsequent use in the creation of virtual catalogs of molecules accessible by simple, inexpensive combinatorial chemistry. The first section of this article documents the feasibility of the synthetic component of Distributed Drug Discovery. Twenty-four alkylating agents were rehearsed in the United States, Poland, Russia, and Spain, for their utility in the synthesis of resin-bound unnatural amino acids 1, key intermediates in many combinatorial chemistry procedures. This global reagent rehearsal, coupled to virtual library generation, increases the likelihood that any member of that virtual library can be made. It facilitates the realistic integration of worldwide virtual D3 catalog computational analysis with synthesis. The second part of this article describes the creation of the first virtual D3 catalog. It reports the enumeration of 24 416 acylated unnatural amino acids 5, assembled from lists of either rehearsed or well-precedented alkylating and acylating reagents, and describes how the resulting catalog can be freely accessed, searched, and downloaded by the scientific community. PMID:19105725

Intel NX to PVM 3.2 message passing conversion library

NASA Technical Reports Server (NTRS)

Arthur, Trey; Nelson, Michael L.

1993-01-01

NASA Langley Research Center has developed a library that allows Intel NX message passing codes to be executed under the more popular and widely supported Parallel Virtual Machine (PVM) message passing library. PVM was developed at Oak Ridge National Labs and has become the defacto standard for message passing. This library will allow the many programs that were developed on the Intel iPSC/860 or Intel Paragon in a Single Program Multiple Data (SPMD) design to be ported to the numerous architectures that PVM (version 3.2) supports. Also, the library adds global operations capability to PVM. A familiarity with Intel NX and PVM message passing is assumed.

Effects of introducing a voluntary virtual patient module to a basic life support with an automated external defibrillator course: a randomised trial

PubMed Central

2012-01-01

Background The concept of virtual patients (VPs) encompasses a great variety of predominantly case-based e-learning modules with different complexity and fidelity levels. Methods for effective placement of VPs in the process of medical education are sought. The aim of this study was to determine whether the introduction of a voluntary virtual patients module into a basic life support with an automated external defibrillator (BLS-AED) course improved the knowledge and skills of students taking the course. Methods Half of the students were randomly assigned to an experimental group and given voluntary access to a virtual patient module consisting of six cases presenting BLS-AED knowledge and skills. Pre- and post-course knowledge tests and skills assessments were performed, as well as a survey of students' satisfaction with the VP usage. In addition, time spent using the virtual patient system, percentage of screen cards viewed and scores in the formative questions in the VP system throughout the course were traced and recorded. Results The study was conducted over a six week period and involved 226 first year medical students. The voluntary module was used by 61 (54%) of the 114 entitled study participants. The group that used VPs demonstrated better results in knowledge acquisition and in some key BLS-AED action skills than the group without access, or those students from the experimental group deliberately not using virtual patients. Most of the students rated the combination of VPs and corresponding teaching events positively. Conclusions The overall positive reaction of students and encouraging results in knowledge and skills acquisition suggest that the usage of virtual patients in a BLS-AED course on a voluntary basis is feasible and should be further investigated. PMID:22709278

Effects of introducing a voluntary virtual patient module to a basic life support with an automated external defibrillator course: a randomised trial.

PubMed

Kononowicz, Andrzej A; Krawczyk, Paweł; Cebula, Grzegorz; Dembkowska, Marta; Drab, Edyta; Frączek, Bartosz; Stachoń, Aleksandra J; Andres, Janusz

2012-06-18

The concept of virtual patients (VPs) encompasses a great variety of predominantly case-based e-learning modules with different complexity and fidelity levels. Methods for effective placement of VPs in the process of medical education are sought. The aim of this study was to determine whether the introduction of a voluntary virtual patients module into a basic life support with an automated external defibrillator (BLS-AED) course improved the knowledge and skills of students taking the course. Half of the students were randomly assigned to an experimental group and given voluntary access to a virtual patient module consisting of six cases presenting BLS-AED knowledge and skills. Pre- and post-course knowledge tests and skills assessments were performed, as well as a survey of students' satisfaction with the VP usage. In addition, time spent using the virtual patient system, percentage of screen cards viewed and scores in the formative questions in the VP system throughout the course were traced and recorded. The study was conducted over a six week period and involved 226 first year medical students. The voluntary module was used by 61 (54%) of the 114 entitled study participants. The group that used VPs demonstrated better results in knowledge acquisition and in some key BLS-AED action skills than the group without access, or those students from the experimental group deliberately not using virtual patients. Most of the students rated the combination of VPs and corresponding teaching events positively. The overall positive reaction of students and encouraging results in knowledge and skills acquisition suggest that the usage of virtual patients in a BLS-AED course on a voluntary basis is feasible and should be further investigated.

Development and experimental test of support vector machines virtual screening method for searching Src inhibitors from large compound libraries

PubMed Central

2012-01-01

Background Src plays various roles in tumour progression, invasion, metastasis, angiogenesis and survival. It is one of the multiple targets of multi-target kinase inhibitors in clinical uses and trials for the treatment of leukemia and other cancers. These successes and appearances of drug resistance in some patients have raised significant interest and efforts in discovering new Src inhibitors. Various in-silico methods have been used in some of these efforts. It is desirable to explore additional in-silico methods, particularly those capable of searching large compound libraries at high yields and reduced false-hit rates. Results We evaluated support vector machines (SVM) as virtual screening tools for searching Src inhibitors from large compound libraries. SVM trained and tested by 1,703 inhibitors and 63,318 putative non-inhibitors correctly identified 93.53%~ 95.01% inhibitors and 99.81%~ 99.90% non-inhibitors in 5-fold cross validation studies. SVM trained by 1,703 inhibitors reported before 2011 and 63,318 putative non-inhibitors correctly identified 70.45% of the 44 inhibitors reported since 2011, and predicted as inhibitors 44,843 (0.33%) of 13.56M PubChem, 1,496 (0.89%) of 168 K MDDR, and 719 (7.73%) of 9,305 MDDR compounds similar to the known inhibitors. Conclusions SVM showed comparable yield and reduced false hit rates in searching large compound libraries compared to the similarity-based and other machine-learning VS methods developed from the same set of training compounds and molecular descriptors. We tested three virtual hits of the same novel scaffold from in-house chemical libraries not reported as Src inhibitor, one of which showed moderate activity. SVM may be potentially explored for searching Src inhibitors from large compound libraries at low false-hit rates. PMID:23173901

Application of Quantitative Structure–Activity Relationship Models of 5-HT1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT1A Ligands

PubMed Central

2015-01-01

The 5-hydroxytryptamine 1A (5-HT1A) serotonin receptor has been an attractive target for treating mood and anxiety disorders such as schizophrenia. We have developed binary classification quantitative structure–activity relationship (QSAR) models of 5-HT1A receptor binding activity using data retrieved from the PDSP Ki database. The prediction accuracy of these models was estimated by external 5-fold cross-validation as well as using an additional validation set comprising 66 structurally distinct compounds from the World of Molecular Bioactivity database. These validated models were then used to mine three major types of chemical screening libraries, i.e., drug-like libraries, GPCR targeted libraries, and diversity libraries, to identify novel computational hits. The five best hits from each class of libraries were chosen for further experimental testing in radioligand binding assays, and nine of the 15 hits were confirmed to be active experimentally with binding affinity better than 10 μM. The most active compound, Lysergol, from the diversity library showed very high binding affinity (Ki) of 2.3 nM against 5-HT1A receptor. The novel 5-HT1A actives identified with the QSAR-based virtual screening approach could be potentially developed as novel anxiolytics or potential antischizophrenic drugs. PMID:24410373

The World Wide Web and Higher Education: The Promise of Virtual Universities and Online Libraries.

ERIC Educational Resources Information Center

Barnard, John

1997-01-01

While many universities and colleges are emphasizing distance education as a way to reach working adults and control costs associated with maintaining campus infrastructures, the World Wide Web is beginning to provide a medium for offering courses to students anywhere in the world. Discusses virtual universities which combine the Web with other…

Making Choices in the Virtual World: The New Model at United Technologies Information Network.

ERIC Educational Resources Information Center

Gulliford, Bradley

1998-01-01

Describes changes in services of the United Technologies Corporation Information Network from a traditional library system to a virtual system of World Wide Web sites, a document-delivery unit, telephone and e-mail reference, and desktop technical support to provide remote access. Staff time, security, and licensing issues are addressed.…

The Learning Outcomes of Mentoring Library Science Students in Virtual World Reference: A Case Study

ERIC Educational Resources Information Center

Purpur, Geraldine; Morris, Jon Levi

2015-01-01

This article reports on the cognitive and affective development of students being mentored in virtual reference interview skills by professional librarians. The authors present a case study which examines the impact on student learning resulting from librarian mentor participation and collaboration with students on a course assignment. This study…

Discrete event simulation tool for analysis of qualitative models of continuous processing systems

NASA Technical Reports Server (NTRS)

Malin, Jane T. (Inventor); Basham, Bryan D. (Inventor); Harris, Richard A. (Inventor)

1990-01-01

An artificial intelligence design and qualitative modeling tool is disclosed for creating computer models and simulating continuous activities, functions, and/or behavior using developed discrete event techniques. Conveniently, the tool is organized in four modules: library design module, model construction module, simulation module, and experimentation and analysis. The library design module supports the building of library knowledge including component classes and elements pertinent to a particular domain of continuous activities, functions, and behavior being modeled. The continuous behavior is defined discretely with respect to invocation statements, effect statements, and time delays. The functionality of the components is defined in terms of variable cluster instances, independent processes, and modes, further defined in terms of mode transition processes and mode dependent processes. Model construction utilizes the hierarchy of libraries and connects them with appropriate relations. The simulation executes a specialized initialization routine and executes events in a manner that includes selective inherency of characteristics through a time and event schema until the event queue in the simulator is emptied. The experimentation and analysis module supports analysis through the generation of appropriate log files and graphics developments and includes the ability of log file comparisons.

Virtual pyramid wavefront sensor for phase unwrapping.

PubMed

Akondi, Vyas; Vohnsen, Brian; Marcos, Susana

2016-10-10

Noise affects wavefront reconstruction from wrapped phase data. A novel method of phase unwrapping is proposed with the help of a virtual pyramid wavefront sensor. The method was tested on noisy wrapped phase images obtained experimentally with a digital phase-shifting point diffraction interferometer. The virtuality of the pyramid wavefront sensor allows easy tuning of the pyramid apex angle and modulation amplitude. It is shown that an optimal modulation amplitude obtained by monitoring the Strehl ratio helps in achieving better accuracy. Through simulation studies and iterative estimation, it is shown that the virtual pyramid wavefront sensor is robust to random noise.

[The Library of Medicine of Córdoba, witness and protagonist of knowledge from the end of the 19th Century to the beginning of 21st Century].

PubMed

Graciela Cañete, M

2004-01-01

In the nineteenth century, was founded the Medicine's Library of the National University Faculty of Medicine, center of knowledge, new ideas and teaching. The history library sector hold the valuable inheritance that represent the collection of Teachers Doctors, Pablo Mirizzi, Temístocles Castellano, Pedro Ara, José F. Verna, Juan Martín Allende located with the books and thesis of the XIX century and beginning of XX century. In 1986 it integrates the National Health Science Information Network and also, the Latino American and the Caribbean Health Science Information Network. The health libraries are in front of a new paradigm. The technologies of information and communication require new methods for administration of the information's resources and services, to answer the society information needs in the knowledge age. The traditional and virtual library is one unit that complement sources in different supports, electronic publications and interactive networks. It is the nexus between the scientific inheritance and the society, and it's mission is: Give local and virtual information's services and management the information's resources, basis of the knowledge society, support of teaching, investigation and extension of the Medical Sciences Faculty of the Córdoba National University.

Designing Multi-target Compound Libraries with Gaussian Process Models.

PubMed

Bieler, Michael; Reutlinger, Michael; Rodrigues, Tiago; Schneider, Petra; Kriegl, Jan M; Schneider, Gisbert

2016-05-01

We present the application of machine learning models to selecting G protein-coupled receptor (GPCR)-focused compound libraries. The library design process was realized by ant colony optimization. A proprietary Boehringer-Ingelheim reference set consisting of 3519 compounds tested in dose-response assays at 11 GPCR targets served as training data for machine learning and activity prediction. We compared the usability of the proprietary data with a public data set from ChEMBL. Gaussian process models were trained to prioritize compounds from a virtual combinatorial library. We obtained meaningful models for three of the targets (5-HT2c , MCH, A1), which were experimentally confirmed for 12 of 15 selected and synthesized or purchased compounds. Overall, the models trained on the public data predicted the observed assay results more accurately. The results of this study motivate the use of Gaussian process regression on public data for virtual screening and target-focused compound library design. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution Non-Commercial NoDerivs License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non-commercial and no modifications or adaptations are made.

Virtual Journal Room: MSU Libraries Table of Contents Service

ERIC Educational Resources Information Center

Sutherland, Michael; Clark, Jason

2009-01-01

Montana State University (MSU) Libraries (where the authors serve as web services librarian and digital initiatives librarian, respectively) is perhaps unique because it has no current periodicals room due to lack of space. As a result, finding current journals for research is difficult for its patrons, who do not always know how or where to…

The University of Texas at Arlington's Virtual Reference Service: An Evaluation by the Reference Staff

ERIC Educational Resources Information Center

Casebier, Katherine D.

2006-01-01

The University of Texas at Arlington's Library began using an online chat reference in 2002. The service, called Collaborative Digital Reference Service, later became "Ask a Librarian." Slightly over one year later, the library joined the University of Texas System's "Ask a Librarian" service. Both services are powered by…

An Examination of Library World Wide Web Sites at Medium-Sized Universities.

ERIC Educational Resources Information Center

Tolppanen, Bradley P.; Miller, Joan; Wooden, Martha H.

2000-01-01

Presents the results of a study of Web sites for 133 academic libraries serving medium-sized universities. Suggests that navigational and design aspects need improvement; information should not be included unless it will be accessed and used; and greater use should be made of online tutorials and virtual tours to supplement regular bibliographic…

The Bowker Annual: Library and Book Trade Almanac[TM], 2001.

ERIC Educational Resources Information Center

Bogart, Dave, Ed.

This 46th edition of the "Bowker Annual" chronicles another year of rapid evaluation as the library and book trade worlds adapt to the many changes wrought by new technologies. Electronic information is now key to virtually every aspect of both industries, and decisions on its best presentation and organization offer constant challenges and…

The Best of the Recent Literature Focusing on the User

ERIC Educational Resources Information Center

Voeller, Stacy L.

2008-01-01

The author's focus for this column within the large universe of the public services literature is on articles which stress what is best for the user. That may mean finding out why faculty use or do not use the physical library, considering the elimination of the reference desk, beginning or enhancing a library's virtual reference services, or…

The University as a Fully Integrated and Distributed Platform: A Vision

ERIC Educational Resources Information Center

Drucker, Johanna

2014-01-01

The author describes her view on the possibilities of what academic libraries might become or cease to be in a speculative future. Her description seems more like a virtual world than reality. The author writes with the intention of providing insights that might fuel the creation of vital futures for academic libraries and librarians.

Analyzing Current Serials in Virginia: An Application of the Ulrich's Serials Analysis System

ERIC Educational Resources Information Center

Metz, Paul; Gasser, Sharon

2006-01-01

VIVA (the Virtual Library of Virginia) was one of the first subscribers to R. R. Bowker's Ulrich's Serials Analysis System (USAS). Creating a database that combined a union report of current serial subscriptions within most academic libraries in the state with the data elements present in Ulrich's made possible a comprehensive analysis designed…

Scholarly Use of E-Books in a Virtual Academic Environment: A Case Study

ERIC Educational Resources Information Center

Ahmad, Pervaiz; Brogan, Mark

2012-01-01

From a fledgling technology with no proven business models, electronic books (e-books) have grown in importance usurping traditional formats as an acquisitions budget line in many academic library contexts. Business models include purchase, subscription, and pay per use. In academic and research libraries, web based e-book delivery is the dominant…

Modulation of Visually Evoked Postural Responses by Contextual Visual, Haptic and Auditory Information: A ‘Virtual Reality Check’

PubMed Central

Meyer, Georg F.; Shao, Fei; White, Mark D.; Hopkins, Carl; Robotham, Antony J.

2013-01-01

Externally generated visual motion signals can cause the illusion of self-motion in space (vection) and corresponding visually evoked postural responses (VEPR). These VEPRs are not simple responses to optokinetic stimulation, but are modulated by the configuration of the environment. The aim of this paper is to explore what factors modulate VEPRs in a high quality virtual reality (VR) environment where real and virtual foreground objects served as static visual, auditory and haptic reference points. Data from four experiments on visually evoked postural responses show that: 1) visually evoked postural sway in the lateral direction is modulated by the presence of static anchor points that can be haptic, visual and auditory reference signals; 2) real objects and their matching virtual reality representations as visual anchors have different effects on postural sway; 3) visual motion in the anterior-posterior plane induces robust postural responses that are not modulated by the presence of reference signals or the reality of objects that can serve as visual anchors in the scene. We conclude that automatic postural responses for laterally moving visual stimuli are strongly influenced by the configuration and interpretation of the environment and draw on multisensory representations. Different postural responses were observed for real and virtual visual reference objects. On the basis that automatic visually evoked postural responses in high fidelity virtual environments should mimic those seen in real situations we propose to use the observed effect as a robust objective test for presence and fidelity in VR. PMID:23840760

Tailoring gas sensor arrays via the design of short peptides sequences as binding elements.

PubMed

Mascini, Marcello; Pizzoni, Daniel; Perez, German; Chiarappa, Emilio; Di Natale, Corrado; Pittia, Paola; Compagnone, Dario

2017-07-15

A semi-combinatorial virtual approach was used to prepare peptide-based gas sensors with binding properties towards five different chemical classes (alcohols, aldehydes, esters, hydrocarbons and ketones). Molecular docking simulations were conducted for a complete tripeptide library (8000 elements) versus 58 volatile compounds belonging to those five chemical classes. By maximizing the differences between chemical classes, a subset of 120 tripeptides was extracted and used as scaffolds for generating a combinatorial library of 7912 tetrapeptides. This library was processed in an analogous way to the former. Five tetrapeptides (IHRI, KSDS, LGFD, TGKF and WHVS) were chosen depending on their virtual affinity and cross-reactivity for the experimental step. The five peptides were covalently bound to gold nanoparticles by adding a terminal cysteine to each tetrapeptide and deposited onto 20MHz quartz crystal microbalances to construct the gas sensors. The behavior of peptides after this chemical modification was simulated at the pH range used in the immobilization step. ΔF signals analyzed by principal component analysis matched the virtually screened data. The array was able to clearly discriminate the 13 volatile compounds tested based on their hydrophobicity and hydrophilicity molecules as well as the molecular weight. Copyright © 2016 Elsevier B.V. All rights reserved.

Lead-oriented synthesis: Investigation of organolithium-mediated routes to 3-D scaffolds and 3-D shape analysis of a virtual lead-like library.

PubMed

Lüthy, Monique; Wheldon, Mary C; Haji-Cheteh, Chehasnah; Atobe, Masakazu; Bond, Paul S; O'Brien, Peter; Hubbard, Roderick E; Fairlamb, Ian J S

2015-06-01

Synthetic routes to six 3-D scaffolds containing piperazine, pyrrolidine and piperidine cores have been developed. The synthetic methodology focused on the use of N-Boc α-lithiation-trapping chemistry. Notably, suitably protected and/or functionalised medicinal chemistry building blocks were synthesised via concise, connective methodology. This represents a rare example of lead-oriented synthesis. A virtual library of 190 compounds was then enumerated from the six scaffolds. Of these, 92 compounds (48%) fit the lead-like criteria of: (i) -1⩽AlogP⩽3; (ii) 14⩽number of heavy atoms⩽26; (iii) total polar surface area⩾50Å(2). The 3-D shapes of the 190 compounds were analysed using a triangular plot of normalised principal moments of inertia (PMI). From this, 46 compounds were identified which had lead-like properties and possessed 3-D shapes in under-represented areas of pharmaceutical space. Thus, the PMI analysis of the 190 member virtual library showed that whilst scaffolds which may appear on paper to be 3-D in shape, only 24% of the compounds actually had 3-D structures in the more interesting areas of 3-D drug space. Copyright © 2015 Elsevier Ltd. All rights reserved.

The Region 4 collaborative virtual reference project.

PubMed

Parker, Sandi K; Johnson, E Diane

2003-01-01

In May 2002, the Denison Memorial Library at the University of Colorado Health Sciences Center and the J. Otto Lottes Health Sciences Library at the University of Missouri-Columbia, with funding from the National Network of Libraries of Medicine-Midcontinental Region, embarked on a collaborative, real-time reference project using the 24/7 Reference, Inc., software package. This paper describes how the project was conceived, and includes details on the service hours, staffing, training, marketing, lessons learned, and future plans for the service.

Rambrain - a library for virtually extending physical memory

NASA Astrophysics Data System (ADS)

Imgrund, Maximilian; Arth, Alexander

2017-08-01

We introduce Rambrain, a user space library that manages memory consumption of your code. Using Rambrain you can overcommit memory over the size of physical memory present in the system. Rambrain takes care of temporarily swapping out data to disk and can handle multiples of the physical memory size present. Rambrain is thread-safe, OpenMP and MPI compatible and supports Asynchronous IO. The library was designed to require minimal changes to existing programs and to be easy to use.

JAMSTEC E-library of Deep-sea Images (J-EDI) Realizes a Virtual Journey to the Earth's Unexplored Deep Ocean

NASA Astrophysics Data System (ADS)

Sasaki, T.; Azuma, S.; Matsuda, S.; Nagayama, A.; Ogido, M.; Saito, H.; Hanafusa, Y.

2016-12-01

The Japan Agency for Marine-Earth Science and Technology (JAMSTEC) archives a large amount of deep-sea research videos and photos obtained by JAMSTEC's research submersibles and vehicles with cameras. The web site "JAMSTEC E-library of Deep-sea Images : J-EDI" (http://www.godac.jamstec.go.jp/jedi/e/) has made videos and photos available to the public via the Internet since 2011. Users can search for target videos and photos by keywords, easy-to-understand icons, and dive information at J-EDI because operating staffs classify videos and photos as to contents, e.g. living organism and geological environment, and add comments to them.Dive survey data including videos and photos are not only valiant academically but also helpful for education and outreach activities. With the aim of the improvement of visibility for broader communities, we added new functions of 3-dimensional display synchronized various dive survey data with videos in this year.New Functions Users can search for dive survey data by 3D maps with plotted dive points using the WebGL virtual map engine "Cesium". By selecting a dive point, users can watch deep-sea videos and photos and associated environmental data, e.g. water temperature, salinity, rock and biological sample photos, obtained by the dive survey. Users can browse a dive track visualized in 3D virtual spaces using the WebGL JavaScript library. By synchronizing this virtual dive track with videos, users can watch deep-sea videos recorded at a point on a dive track. Users can play an animation which a submersible-shaped polygon automatically traces a 3D virtual dive track and displays of dive survey data are synchronized with tracing a dive track. Users can directly refer to additional information of other JAMSTEC data sites such as marine biodiversity database, marine biological sample database, rock sample database, and cruise and dive information database, on each page which a 3D virtual dive track is displayed. A 3D visualization of a dive track makes users experience a virtual dive survey. In addition, by synchronizing a virtual dive track with videos, it is easy to understand living organisms and geological environments of a dive point. Therefore, these functions will visually support understanding of deep-sea environments in lectures and educational activities.

Digital fabrication of multi-material biomedical objects.

PubMed

Cheung, H H; Choi, S H

2009-12-01

This paper describes a multi-material virtual prototyping (MMVP) system for modelling and digital fabrication of discrete and functionally graded multi-material objects for biomedical applications. The MMVP system consists of a DMMVP module, an FGMVP module and a virtual reality (VR) simulation module. The DMMVP module is used to model discrete multi-material (DMM) objects, while the FGMVP module is for functionally graded multi-material (FGM) objects. The VR simulation module integrates these two modules to perform digital fabrication of multi-material objects, which can be subsequently visualized and analysed in a virtual environment to optimize MMLM processes for fabrication of product prototypes. Using the MMVP system, two biomedical objects, including a DMM human spine and an FGM intervertebral disc spacer are modelled and digitally fabricated for visualization and analysis in a VR environment. These studies show that the MMVP system is a practical tool for modelling, visualization, and subsequent fabrication of biomedical objects of discrete and functionally graded multi-materials for biomedical applications. The system may be adapted to control MMLM machines with appropriate hardware for physical fabrication of biomedical objects.

Minimalist hybrid ligand/receptor-based pharmacophore model for CXCR4 applied to a small-library of marine natural products led to the identification of phidianidine a as a new CXCR4 ligand exhibiting antagonist activity.

PubMed

Vitale, Rosa Maria; Gatti, Monica; Carbone, Marianna; Barbieri, Federica; Felicità, Vera; Gavagnin, Margherita; Florio, Tullio; Amodeo, Pietro

2013-12-20

Here, we present a minimal hybrid ligand/receptor-based pharmacophore model (PM) for CXCR4, a chemokine receptor deeply involved in several pathologies, such as HIV infection, rheumatoid arthritis, cancer development/progression, and metastasization. This model, considerably simpler than those thus far proposed for this receptor, has been used to search for new CXCR4 inhibitors in a small marine natural product library available at ICB-CNR Institute (Pozzuoli, NA, Italy), since natural products, with their naturally selected chemical and functional diversity, represent a rich source of bioactive scaffolds; computational approaches allow searching for new scaffolds with a minimal waste of possibly precious natural product samples; and our "stripped-down" model substantially increases the probabilities of identifying potential hits even in small-sized libraries. This search, also validated by a systematic virtual screening of the same library, has led to the identification of a new CXCR4 ligand, phidianidine A (PHIA). Docking studies supported PHIA activity and suggested its possible binding modes to CXCR4. Using the CXCR4-expressing/CXCR7-negative GH4C1 cell line we show that PHIA inhibits CXCL12-induced DNA synthesis, cell migration, and ERK1/2 activation. The specificity of these effects was confirmed by the lack of PHIA activity in GH4C1 cells, in which siRNA highly reduces CXCR4 expression and the lack of cytoxicity of PHIA was also verified. Thus, PHIA represents a promising lead for a new family of CXCR4 modulators with wide margins of improvement in potency and specificity offered by the small and very simple underlying PM.

Integrating Library Instruction into the Course Management System for a First-Year Engineering Class: An Evidence-Based Study Measuring the Effectiveness of Blended Learning on Students' Information Literacy Levels

ERIC Educational Resources Information Center

Zhang, Qinqin; Goodman, Maren; Xie, Shiyi

2015-01-01

This research examines students in a first-year engineering course who receive library instruction by using a newly developed online module and attending optional in-person tutorials. It aims to evaluate the outcomes of library information literacy instruction using this module combined with in-person help. Results show a significant improvement…

Integrating the Learning of Mathematics and Science Using Interactive Teaching and Learning Strategies

NASA Astrophysics Data System (ADS)

Holmes, Mark H.

2006-10-01

To help students grasp the intimate connections that exist between mathematics and its applications in other disciplines a library of interactive learning modules was developed. This library covers the mathematical areas normally studied by undergraduate students and is used in science courses at all levels. Moreover, the library is designed not just to provide critical connections across disciplines but to also provide longitudinal subject reinforcement as students progress in their studies. In the process of developing the modules a complete editing and publishing system was constructed that is optimized for automated maintenance and upgradeability of materials. The result is a single integrated production system for web-based educational materials. Included in this is a rigorous assessment program, involving both internal and external evaluations of each module. As will be seen, the formative evaluation obtained during the development of the library resulted in the modules successfully bridging multiple disciplines and breaking down the disciplinary barriers commonly found in their math and non-math courses.

Putting the Library at Students' Fingertips

ERIC Educational Resources Information Center

Foley, Marianne

2012-01-01

The absence of a well-defined space for library resources within course-management systems has been well documented in library literature. Academic libraries have sought to remedy this deficiency in numerous ways. This article describes how a "library nugget," or module, was added to the Buffalo State College course-management system,…

A Web 2.0 Vision, Web 2.0 Project Management and Real-World Student Learning in a Website Redevelopment Project

ERIC Educational Resources Information Center

McKeon, Kelly; Thompson, Ellen

2008-01-01

The Arts Libraries Society of Australia and New Zealand (Arlis/ANZ) recently implemented a new web presence. More than just a website, it was envisaged as a web "identity", a virtual clubhouse where the Society could conduct its "virtual business" and where members could "meet" and contribute to the activities of…

Promoting Technology Uses in the Elementary Mathematics Classroom: Lessons in Pedagogy from Zoltan Dienes

ERIC Educational Resources Information Center

Connell, Michael; Abramovich, Sergei

2016-01-01

Today technology allows for the utilization of new classes of mathematical objects which are themselves subject to new modes of student interaction. A series of notable examples may be found in the National Library of Virtual Manipulatives. These virtual manipulatives draw much of their power from their physical embodiment in the form of hand-on…

On-line interactive virtual experiments on nanoscience

NASA Astrophysics Data System (ADS)

Kadar, Manuella; Ileana, Ioan; Hutanu, Constantin

2009-01-01

This paper is an overview on the next generation web which allows students to experience virtual experiments on nano science, physics devices, processes and processing equipment. Virtual reality is used to support a real university lab in which a student can experiment real lab sessions. The web material is presented in an intuitive and highly visual 3D form that is accessible to a diverse group of students. Such type of laboratory provides opportunities for professional and practical education for a wide range of users. The expensive equipment and apparatuses that build the experimental stage in a particular standard laboratory is used to create virtual educational research laboratories. Students learn how to prepare the apparatuses and facilities for the experiment. The online experiments metadata schema is the format for describing online experiments, much like the schema behind a library catalogue used to describe the books in a library. As an online experiment is a special kind of learning object, one specifies its schema as an extension to an established metadata schema for learning objects. The content of the courses, metainformation as well as readings and user data are saved on the server in a database as XML objects.

Identifying Novel Molecular Structures for Advanced Melanoma by Ligand-Based Virtual Screening

PubMed Central

Wang, Zhao; Lu, Yan; Seibel, William; Miller, Duane D.; Li, Wei

2009-01-01

We recently discovered a new class of thiazole analogs that are highly potent against melanoma cells. To expand the structure-activity relationship study and to explore potential new molecular scaffolds, we performed extensive ligand-based virtual screening against a compound library containing 342,910 small molecules. Two different approaches of virtual screening were carried out using the structure of our lead molecule: 1) connectivity-based search using Scitegic Pipeline Pilot from Accelerys and 2) molecular shape similarity search using Schrodinger software. Using a testing compound library, both approaches can rank similar compounds very high and rank dissimilar compounds very low, thus validating our screening methods. Structures identified from these searches were analyzed, and selected compounds were tested in vitro to assess their activity against melanoma cancer cell lines. Several molecules showed good anticancer activity. While none of the identified compounds showed better activity than our lead compound, they provided important insight into structural modifications for our lead compound and also provided novel platforms on which we can optimize new classes of anticancer compounds. One of the newly synthesized analogs based on this virtual screening has improved potency and selectivity against melanoma. PMID:19445498

Discovery of Novel New Delhi Metallo-β-Lactamases-1 Inhibitors by Multistep Virtual Screening

PubMed Central

Wang, Xuequan; Lu, Meiling; Shi, Yang; Ou, Yu; Cheng, Xiaodong

2015-01-01

The emergence of NDM-1 containing multi-antibiotic resistant "Superbugs" necessitates the needs of developing of novel NDM-1inhibitors. In this study, we report the discovery of novel NDM-1 inhibitors by multi-step virtual screening. From a 2,800,000 virtual drug-like compound library selected from the ZINC database, we generated a focused NDM-1 inhibitor library containing 298 compounds of which 44 chemical compounds were purchased and evaluated experimentally for their ability to inhibit NDM-1 in vitro. Three novel NDM-1 inhibitors with micromolar IC50 values were validated. The most potent inhibitor, VNI-41, inhibited NDM-1 with an IC50 of 29.6 ± 1.3 μM. Molecular dynamic simulation revealed that VNI-41 interacted extensively with the active site. In particular, the sulfonamide group of VNI-41 interacts directly with the metal ion Zn1 that is critical for the catalysis. These results demonstrate the feasibility of applying virtual screening methodologies in identifying novel inhibitors for NDM-1, a metallo-β-lactamase with a malleable active site and provide a mechanism base for rational design of NDM-1 inhibitors using sulfonamide as a functional scaffold. PMID:25734558

Quantum probability ranking principle for ligand-based virtual screening.

PubMed

Al-Dabbagh, Mohammed Mumtaz; Salim, Naomie; Himmat, Mubarak; Ahmed, Ali; Saeed, Faisal

2017-04-01

Chemical libraries contain thousands of compounds that need screening, which increases the need for computational methods that can rank or prioritize compounds. The tools of virtual screening are widely exploited to enhance the cost effectiveness of lead drug discovery programs by ranking chemical compounds databases in decreasing probability of biological activity based upon probability ranking principle (PRP). In this paper, we developed a novel ranking approach for molecular compounds inspired by quantum mechanics, called quantum probability ranking principle (QPRP). The QPRP ranking criteria would make an attempt to draw an analogy between the physical experiment and molecular structure ranking process for 2D fingerprints in ligand based virtual screening (LBVS). The development of QPRP criteria in LBVS has employed the concepts of quantum at three different levels, firstly at representation level, this model makes an effort to develop a new framework of molecular representation by connecting the molecular compounds with mathematical quantum space. Secondly, estimate the similarity between chemical libraries and references based on quantum-based similarity searching method. Finally, rank the molecules using QPRP approach. Simulated virtual screening experiments with MDL drug data report (MDDR) data sets showed that QPRP outperformed the classical ranking principle (PRP) for molecular chemical compounds.

Quantum probability ranking principle for ligand-based virtual screening

NASA Astrophysics Data System (ADS)

Al-Dabbagh, Mohammed Mumtaz; Salim, Naomie; Himmat, Mubarak; Ahmed, Ali; Saeed, Faisal

2017-04-01

Chemical libraries contain thousands of compounds that need screening, which increases the need for computational methods that can rank or prioritize compounds. The tools of virtual screening are widely exploited to enhance the cost effectiveness of lead drug discovery programs by ranking chemical compounds databases in decreasing probability of biological activity based upon probability ranking principle (PRP). In this paper, we developed a novel ranking approach for molecular compounds inspired by quantum mechanics, called quantum probability ranking principle (QPRP). The QPRP ranking criteria would make an attempt to draw an analogy between the physical experiment and molecular structure ranking process for 2D fingerprints in ligand based virtual screening (LBVS). The development of QPRP criteria in LBVS has employed the concepts of quantum at three different levels, firstly at representation level, this model makes an effort to develop a new framework of molecular representation by connecting the molecular compounds with mathematical quantum space. Secondly, estimate the similarity between chemical libraries and references based on quantum-based similarity searching method. Finally, rank the molecules using QPRP approach. Simulated virtual screening experiments with MDL drug data report (MDDR) data sets showed that QPRP outperformed the classical ranking principle (PRP) for molecular chemical compounds.

Using Modules with MPICH-G2 (and "Loose Ends")

NASA Technical Reports Server (NTRS)

Chang, Johnny; Thigpen, William W. (Technical Monitor)

2002-01-01

A new approach to running complex, distributed MPI jobs using the MPICH-G2 library is described. This approach allows the user to switch between different versions of compilers, system libraries, MPI libraries, etc. via the "module" command. The key idea is a departure from the prescribed "(jobtype=mpi)" approach to running distributed MPI jobs. The new method requires the user to provide a script that will be run as the "executable" with the "(jobtype=single)" RSL attribute. The major advantage of the proposed method is to enable users to decide in their own script what modules, environment, etc. they would like to have in running their job.

Digitization and the Creation of Virtual Libraries: The Princeton University Image Card Catalog--Reaping the Benefits of Imaging.

ERIC Educational Resources Information Center

Henthorne, Eileen

1995-01-01

Describes a project at the Princeton University libraries that converted the pre-1981 public card catalog, using digital imaging and optical character recognition technology, to fully tagged and indexed records of text in MARC format that are available on an online database and will be added to the online catalog. (LRW)

QR Codes as Finding Aides: Linking Electronic and Print Library Resources

ERIC Educational Resources Information Center

Kane, Danielle; Schneidewind, Jeff

2011-01-01

As part of a focused, methodical, and evaluative approach to emerging technologies, QR codes are one of many new technologies being used by the UC Irvine Libraries. QR codes provide simple connections between print and virtual resources. In summer 2010, a small task force began to investigate how QR codes could be used to provide information and…

Real-time Scheduling for GPUS with Applications in Advanced Automotive Systems

DTIC Science & Technology

2015-01-01

129 3.7 Architecture of GPU tasklet scheduling infrastructure ...throughput. This disparity is even greater when we consider mobile CPUs, such as those designed by ARM. For instance, the ARM Cortex-A15 series processor as...stub library that replaces the GPGPU runtime within each virtual machine. The stub library communicates API calls to a GPGPU backend user-space daemon

The Physical and the Virtual: The Relationship between Library as Place and Electronic Collections

ERIC Educational Resources Information Center

Gerke, Jennifer; Maness, Jack M.

2010-01-01

A statistical analysis of responses to a LibQUAL+™ survey at the University of Colorado at Boulder (UCB) was conducted to investigate factors related to patrons' satisfaction with electronic collections. It was found that a respondent's discipline was not related to his or her satisfaction with the Libraries' electronic collection, nor was the…

Innovation, engagement and development: moving forward in health information settings.

PubMed

Spring, Hannah

2018-06-08

The current trends influencing change in health information and library settings are presenting some exciting new opportunities for health information specialists. Increasingly, knowledge specialists are playing a pivotal role in the effective mobilisation of knowledge and evidence. The focus for our profession will continue to be on demonstrating the value and impact of our services, but a shift in expectations about how those services are delivered will need to be underpinned by new tools and skill sets. These issues are reflected in the themes of the Health Libraries Group 2018 conference, and in conjunction with the event, this virtual issue draws together a collection of articles reflecting those themes. Topics covered in the virtual issue include the following: Toolkits, online systems and emergent technologies to support health information practice; Continuing professional development; Community projects, engagement, outreach and public health; Value and impact and evidence-based practice; Service improvement and library management; and Digital and health literacy. The papers selected for this issue provide some excellent examples of how we, as a profession, are initiating change in creative ways and rising to the exciting challenges of the future. © 2018 Health Libraries Group.

Asthma, Allergies and Pregnancy

MedlinePlus

... Menu Search Main navigation Skip to content Conditions & Treatments Allergies Asthma Primary Immunodeficiency Disease Related Conditions Drug Guide Conditions Dictionary Just for Kids Library School Tools Videos Virtual ...

Generating "fragment-based virtual library" using pocket similarity search of ligand-receptor complexes.

PubMed

Khashan, Raed S

2015-01-01

As the number of available ligand-receptor complexes is increasing, researchers are becoming more dedicated to mine these complexes to aid in the drug design and development process. We present free software which is developed as a tool for performing similarity search across ligand-receptor complexes for identifying binding pockets which are similar to that of a target receptor. The search is based on 3D-geometric and chemical similarity of the atoms forming the binding pocket. For each match identified, the ligand's fragment(s) corresponding to that binding pocket are extracted, thus forming a virtual library of fragments (FragVLib) that is useful for structure-based drug design. The program provides a very useful tool to explore available databases.

Design of combinatorial libraries for the exploration of virtual hits from fragment space searches with LoFT.

PubMed

Lessel, Uta; Wellenzohn, Bernd; Fischer, J Robert; Rarey, Matthias

2012-02-27

A case study is presented illustrating the design of a focused CDK2 library. The scaffold of the library was detected by a feature trees search in a fragment space based on reactions from combinatorial chemistry. For the design the software LoFT (Library optimizer using Feature Trees) was used. The special feature called FTMatch was applied to restrict the parts of the queries where the reagents are permitted to match. This way a 3D scoring function could be simulated. Results were compared with alternative designs by GOLD docking and ROCS 3D alignments.

Reality Check: Basics of Augmented, Virtual, and Mixed Reality.

PubMed

Brigham, Tara J

2017-01-01

Augmented, virtual, and mixed reality applications all aim to enhance a user's current experience or reality. While variations of this technology are not new, within the last few years there has been a significant increase in the number of artificial reality devices or applications available to the general public. This column will explain the difference between augmented, virtual, and mixed reality and how each application might be useful in libraries. It will also provide an overview of the concerns surrounding these different reality applications and describe how and where they are currently being used.

Performance analysis of cooperative virtual MIMO systems for wireless sensor networks.

PubMed

Rafique, Zimran; Seet, Boon-Chong; Al-Anbuky, Adnan

2013-05-28

Multi-Input Multi-Output (MIMO) techniques can be used to increase the data rate for a given bit error rate (BER) and transmission power. Due to the small form factor, energy and processing constraints of wireless sensor nodes, a cooperative Virtual MIMO as opposed to True MIMO system architecture is considered more feasible for wireless sensor network (WSN) applications. Virtual MIMO with Vertical-Bell Labs Layered Space-Time (V-BLAST) multiplexing architecture has been recently established to enhance WSN performance. In this paper, we further investigate the impact of different modulation techniques, and analyze for the first time, the performance of a cooperative Virtual MIMO system based on V-BLAST architecture with multi-carrier modulation techniques. Through analytical models and simulations using real hardware and environment settings, both communication and processing energy consumptions, BER, spectral efficiency, and total time delay of multiple cooperative nodes each with single antenna are evaluated. The results show that cooperative Virtual-MIMO with Binary Phase Shift Keying-Wavelet based Orthogonal Frequency Division Multiplexing (BPSK-WOFDM) modulation is a promising solution for future high data-rate and energy-efficient WSNs.

Performance Analysis of Cooperative Virtual MIMO Systems for Wireless Sensor Networks

PubMed Central

Rafique, Zimran; Seet, Boon-Chong; Al-Anbuky, Adnan

2013-01-01

Multi-Input Multi-Output (MIMO) techniques can be used to increase the data rate for a given bit error rate (BER) and transmission power. Due to the small form factor, energy and processing constraints of wireless sensor nodes, a cooperative Virtual MIMO as opposed to True MIMO system architecture is considered more feasible for wireless sensor network (WSN) applications. Virtual MIMO with Vertical-Bell Labs Layered Space-Time (V-BLAST) multiplexing architecture has been recently established to enhance WSN performance. In this paper, we further investigate the impact of different modulation techniques, and analyze for the first time, the performance of a cooperative Virtual MIMO system based on V-BLAST architecture with multi-carrier modulation techniques. Through analytical models and simulations using real hardware and environment settings, both communication and processing energy consumptions, BER, spectral efficiency, and total time delay of multiple cooperative nodes each with single antenna are evaluated. The results show that cooperative Virtual-MIMO with Binary Phase Shift Keying-Wavelet based Orthogonal Frequency Division Multiplexing (BPSK-WOFDM) modulation is a promising solution for future high data-rate and energy-efficient WSNs. PMID:23760087

Virtual Habitat -a dynamic simulation of closed life support systems -human model status

NASA Astrophysics Data System (ADS)

Markus Czupalla, M. Sc.; Zhukov, Anton; Hwang, Su-Au; Schnaitmann, Jonas

In order to optimize Life Support Systems on a system level, stability questions must be in-vestigated. To do so the exploration group of the Technical University of Munich (TUM) is developing the "Virtual Habitat" (V-HAB) dynamic LSS simulation software. V-HAB shall provide the possibility to conduct dynamic simulations of entire mission scenarios for any given LSS configuration. The Virtual Habitat simulation tool consists of four main modules: • Closed Environment Module (CEM) -monitoring of compounds in a closed environment • Crew Module (CM) -dynamic human simulation • P/C Systems Module (PCSM) -dynamic P/C subsystems • Plant Module (PM) -dynamic plant simulation The core module of the simulation is the dynamic and environment sensitive human module. Introduced in its basic version in 2008, the human module has been significantly updated since, increasing its capabilities and maturity significantly. In this paper three newly added human model subsystems (thermal regulation, digestion and schedule controller) are introduced touching also on the human stress subsystem which is cur-rently under development. Upon the introduction of these new subsystems, the integration of these into the overall V-HAB human model is discussed, highlighting the impact on the most important I/F. The overall human model capabilities shall further be summarized and presented based on meaningful test cases. In addition to the presentation of the results, the correlation strategy for the Virtual Habitat human model shall be introduced assessing the models current confidence level and giving an outlook on the future correlation strategy. Last but not least, the remaining V-HAB mod-ules shall be introduced shortly showing how the human model is integrated into the overall simulation.

Amber Plug-In for Protein Shop

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oliva, Ricardo

2004-05-10

The Amber Plug-in for ProteinShop has two main components: an AmberEngine library to compute the protein energy models, and a module to solve the energy minimization problem using an optimization algorithm in the OPTI-+ library. Together, these components allow the visualization of the protein folding process in ProteinShop. AmberEngine is a object-oriented library to compute molecular energies based on the Amber model. The main class is called ProteinEnergy. Its main interface methods are (1) "init" to initialize internal variables needed to compute the energy. (2) "eval" to evaluate the total energy given a vector of coordinates. Additional methods allow themore » user to evaluate the individual components of the energy model (bond, angle, dihedral, non-bonded-1-4, and non-bonded energies) and to obtain the energy of each individual atom. The Amber Engine library source code includes examples and test routines that illustrate the use of the library in stand alone programs. The energy minimization module uses the AmberEngine library and the nonlinear optimization library OPT++. OPT++ is open source software available under the GNU Lesser General Public License. The minimization module currently makes use of the LBFGS optimization algorithm in OPT++ to perform the energy minimization. Future releases may give the user a choice of other algorithms available in OPT++.« less

ANSL-V: ENDF/B-V based multigroup cross-section libraries for Advanced Neutron Source (ANS) reactor studies. Supplement 1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wright, R.Q.; Renier, J.P.; Bucholz, J.A.

1995-08-01

The original ANSL-V cross-section libraries (ORNL-6618) were developed over a period of several years for the physics analysis of the ANS reactor, with little thought toward including the materials commonly needed for shielding applications. Materials commonly used for shielding applications include calcium barium, sulfur, phosphorous, and bismuth. These materials, as well as {sup 6}Li, {sup 7}Li, and the naturally occurring isotopes of hafnium, have been added to the ANSL-V libraries. The gamma-ray production and gamma-ray interaction cross sections were completely regenerated for the ANSL-V 99n/44g library which did not exist previously. The MALOCS module was used to collapse the 99n/44gmore » coupled library to the 39n/44g broad- group library. COMET was used to renormalize the two-dimensional (2- D) neutron matrix sums to agree with the one-dimensional (1-D) averaged values. The FRESH module was used to adjust the thermal scattering matrices on the 99n/44g and 39n/44g ANSL-V libraries. PERFUME was used to correct the original XLACS Legendre polynomial fits to produce acceptable distributions. The final ANSL-V 99n/44g and 39n/44g cross-section libraries were both checked by running RADE. The AIM module was used to convert the master cross-section libraries from binary coded decimal to binary format (or vice versa).« less

The identification of high-affinity G protein-coupled receptor ligands from large combinatorial libraries using multicolor quantum dot-labeled cell-based screening

PubMed Central

Fu, Junjie; Lee, Timothy; Qi, Xin

2014-01-01

G protein-coupled receptors (GPCRs), which are involved in virtually every biological process, constitute the largest family of transmembrane receptors. Many top-selling and newly approved drugs target GPCRs. In this review, we aim to recapitulate efforts and progress in combinatorial library-assisted GPCR ligand discovery, particularly focusing on one-bead-one-compound library synthesis and quantum dot-labeled cell-based assays, which both effectively enhance the rapid identification of GPCR ligands with higher affinity and specificity. PMID:24941874

An augmented reality tool for learning spatial anatomy on mobile devices.

PubMed

Jain, Nishant; Youngblood, Patricia; Hasel, Matthew; Srivastava, Sakti

2017-09-01

Augmented Realty (AR) offers a novel method of blending virtual and real anatomy for intuitive spatial learning. Our first aim in the study was to create a prototype AR tool for mobile devices. Our second aim was to complete a technical evaluation of our prototype AR tool focused on measuring the system's ability to accurately render digital content in the real world. We imported Computed Tomography (CT) data derived virtual surface models into a 3D Unity engine environment and implemented an AR algorithm to display these on mobile devices. We investigated the accuracy of the virtual renderings by comparing a physical cube with an identical virtual cube for dimensional accuracy. Our comparative study confirms that our AR tool renders 3D virtual objects with a high level of accuracy as evidenced by the degree of similarity between measurements of the dimensions of a virtual object (a cube) and the corresponding physical object. We developed an inexpensive and user-friendly prototype AR tool for mobile devices that creates highly accurate renderings. This prototype demonstrates an intuitive, portable, and integrated interface for spatial interaction with virtual anatomical specimens. Integrating this AR tool with a library of CT derived surface models provides a platform for spatial learning in the anatomy curriculum. The segmentation methodology implemented to optimize human CT data for mobile viewing can be extended to include anatomical variations and pathologies. The ability of this inexpensive educational platform to deliver a library of interactive, 3D models to students worldwide demonstrates its utility as a supplemental teaching tool that could greatly benefit anatomical instruction. Clin. Anat. 30:736-741, 2017. © 2017Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Using Interactive Technology to Support Students' Understanding of the Greenhouse Effect and Global Warming

ERIC Educational Resources Information Center

Varma, Keisha; Linn, Marcia C.

2012-01-01

In this work, we examine middle school students' understanding of the greenhouse effect and global warming. We designed and refined a technology-enhanced curriculum module called "Global Warming: Virtual Earth". In the module activities, students conduct virtual experiments with a visualization of the greenhouse effect. They analyze data and draw…

Internet virtual studio: low-cost augmented reality system for WebTV

NASA Astrophysics Data System (ADS)

Sitnik, Robert; Pasko, Slawomir; Karaszewski, Maciej; Witkowski, Marcin

2008-02-01

In this paper a concept of a Internet Virtual Studio as a modern system for production of news, entertainment, educational and training material is proposed. This system is based on virtual studio technology and integrated with multimedia data base. Its was developed for web television content production. In successive subentries the general system architecture, as well as the architecture of modules one by one is discussed. The authors describe each module by presentation of a brief information about work principles and technical limitations. The presentation of modules is strictly connected with a presentation of their capabilities. Results produced by each of them are shown in the form of exemplary images. Finally, exemplary short production is presented and discussed.

Archives, Documents, and Hidden History: A Course to Teach Undergraduates the Thrill of Historical Discovery Real and Virtual

ERIC Educational Resources Information Center

Roff, Sandra

2007-01-01

Treasures await students and researchers on the shelves of libraries and archives across the country, but unfortunately they often remain unknown to the "modern" researcher who limits his/her research to using the Internet. The process of physically going to the library stacks and browsing the shelves in a subject area is on the decline…

Your Library Goes Virtual: Promoting Reading and Supporting Research

ERIC Educational Resources Information Center

Church, Audrey

2006-01-01

According to a November 2004 Pew Internet and American Life Project survey, "87% of those between the ages of 12 and 17 are online...and half of them say they go online every day" ("Teens Forge" 1). They prefer the Internet to traditional libraries because they consider the Internet to be easier to use, more convenient, open 24/7, and full of more…

Using Second Life to enhance ACCEL an online accelerated nursing BSN program.

PubMed

Stewart, Stephanie; Pope, Dawn; Duncan, Debra

2009-01-01

To create a presence in Second Life (SL) the university college of nursing (CON) purchased four virtual islands in December 2007. The intent was to enhance distance education with immersion learning experiences for nursing students in SL. The Pollock Alumni House, classrooms, faculty offices, a library, a student welcome center, a public health office, a disaster scenario, a clinic, a hospital, and several patient avatars were created. Houses are being built for nursing students to experience different patient care scenarios during home visits. At least 20 nursing faculty and academic staff and three cohorts of accelerated nursing students (77) have avatars and have experienced class sessions. Faculty and students schedule office hours, engage in synchronous chats, and utilize the public health department and SL support groups for class exercises. Current exercises in the public health department include a module in which the student learns the role of the sanitarian. Students use a checklist to inspect restaurants and bars in SL. They are also able to view a video of an interview with a sanitarian. Another module introduces them to the WIC (Women, Infants, and Children) program. Future student activities related to public health include disaster planning, bioterrorism, evacuations, community assessment, windshield surveys, fund raising, and health education as well as other activities suggested by public health nurses and students. The possibilities are limitless because of the resources that exist in the virtual world, SL. The purchase of the first two islands, the initial buildings, and the creation of the public health department was funded by a research grant. Virtual environments offer many advantages for nursing education. Many nursing students say they learn best when they actually "do something," which indicates that they often prefer experiential learning. Rare but life-threatening patient situations can be experienced since the clinical environment can be realistically simulated. The student has the opportunity to practice repeatedly without causing harm to patients. During these simulations, active learning takes place, immediate feedback can be given for both correct and incorrect actions, errors can be corrected, and consistent experiences can be reproduced for all students. This technology is revolutionizing education and will meet the needs of the media savvy generations to come. It can also provide virtual experiences that nursing students may encounter in the clinical setting which are high risk and low volume, thus enhancing patient safety.

Designing Ligands for Leishmania, Plasmodium, and Aspergillus N-Myristoyl Transferase with Specificity and Anti-Target-Safe Virtual Libraries.

PubMed

Garcia-Sosa, Alfonso T

2018-01-01

Leishmaniasis, malaria, and fungal diseases are burdens on individuals and populations and can present severe complications. Easily accessible chemical treatments for these diseases are increasingly sought-after. Targeting the parasite N-myristoyl transferase while avoiding the human enzyme and other anti-targets may allow the prospect of compounds with pan-activity against these diseases, which would simplify treatments and costs. Developing chemical libraries, both virtual and physical, that have been filtered and flagged early on in the drug discovery process (before virtual screening) could reduce attrition rates of compounds being developed and failing late in development stages due to problems of side-effects or toxicity. Chemical libraries have been screened against the anti-targets pregnane-X-receptor, sulfotransferase, cytochrome P450 2a6, 2c9, and 3a4 with three different docking programs. Statistically significant differences are observed in their interactions with these enzymes as compared to small molecule drugs and bioactive non-drug datasets. A series of compounds are proposed with the best predicted profiles for inhibition of all parasite targets while sparing the human form and anti-targets. Some of the topranked compounds have confirmed experimental activity against Leishmania, and highlighted are those compounds with best properties for further development. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

ILP-2 modeling and virtual screening of an FDA-approved library:a possible anticancer therapy.

PubMed

Khalili, Saeed; Mohammadpour, Hemn; Shokrollahi Barough, Mahideh; Kokhaei, Parviz

2016-06-23

The members of the inhibitors of apoptosis protein (IAP) family inhibit diverse components of the caspase signaling pathway, notably caspase 3, 7, and 9. ILP-2 (BIRC-8) is the most recently identified member of the IAPs, mainly interacting with caspase 9. This interaction would eventually lead to death resistance in the case of cancerous cells. Therefore, structural modeling of ILP-2 and finding applicable inhibitors of its interaction with caspase 9 are a compelling challenge. Three main protein modeling approaches along with various model refinement measures were harnessed to achieve a reliable 3D model, using state-of-the-art software. Thereafter, the selected model was employed to perform virtual screening of an FDA approved library. A model built by a combinatorial approach (homology and ab initio approaches) was chosen as the best model. Model refinement processes successfully bolstered the model quality. Virtual screening of the compound library introduced several high affinity inhibitor candidates that interact with functional residues of ILP2. Given the 3D structure of the ILP2 molecule, we found promising inhibitory molecules. In addition to high affinity towards the ILP2 molecule, these molecules interact with residues that play pivotal rules in ILP2-caspase interaction. These molecules would inhibit ILP2-caspase interaction and consequently would lead to reactivated cell apoptosis through the caspases pathway.

Identification of novel malarial cysteine protease inhibitors using structure-based virtual screening of a focused cysteine protease inhibitor library.

PubMed

Shah, Falgun; Mukherjee, Prasenjit; Gut, Jiri; Legac, Jennifer; Rosenthal, Philip J; Tekwani, Babu L; Avery, Mitchell A

2011-04-25

Malaria, in particular that caused by Plasmodium falciparum , is prevalent across the tropics, and its medicinal control is limited by widespread drug resistance. Cysteine proteases of P. falciparum , falcipain-2 (FP-2) and falcipain-3 (FP-3), are major hemoglobinases, validated as potential antimalarial drug targets. Structure-based virtual screening of a focused cysteine protease inhibitor library built with soft rather than hard electrophiles was performed against an X-ray crystal structure of FP-2 using the Glide docking program. An enrichment study was performed to select a suitable scoring function and to retrieve potential candidates against FP-2 from a large chemical database. Biological evaluation of 50 selected compounds identified 21 diverse nonpeptidic inhibitors of FP-2 with a hit rate of 42%. Atomic Fukui indices were used to predict the most electrophilic center and its electrophilicity in the identified hits. Comparison of predicted electrophilicity of electrophiles in identified hits with those in known irreversible inhibitors suggested the soft-nature of electrophiles in the selected target compounds. The present study highlights the importance of focused libraries and enrichment studies in structure-based virtual screening. In addition, few compounds were screened against homologous human cysteine proteases for selectivity analysis. Further evaluation of structure-activity relationships around these nonpeptidic scaffolds could help in the development of selective leads for antimalarial chemotherapy.

Three-Dimensional Audio Client Library

NASA Technical Reports Server (NTRS)

Rizzi, Stephen A.

2005-01-01

The Three-Dimensional Audio Client Library (3DAudio library) is a group of software routines written to facilitate development of both stand-alone (audio only) and immersive virtual-reality application programs that utilize three-dimensional audio displays. The library is intended to enable the development of three-dimensional audio client application programs by use of a code base common to multiple audio server computers. The 3DAudio library calls vendor-specific audio client libraries and currently supports the AuSIM Gold-Server and Lake Huron audio servers. 3DAudio library routines contain common functions for (1) initiation and termination of a client/audio server session, (2) configuration-file input, (3) positioning functions, (4) coordinate transformations, (5) audio transport functions, (6) rendering functions, (7) debugging functions, and (8) event-list-sequencing functions. The 3DAudio software is written in the C++ programming language and currently operates under the Linux, IRIX, and Windows operating systems.

Random learning units using WIRIS quizzes in Moodle

NASA Astrophysics Data System (ADS)

Mora, Ángel; Mérida, Enrique; Eixarch, Ramon

2011-09-01

Moodle is an extended learning management system for developing learning units, including mathematically-based subjects. A wide variety of material can be developed in Moodle which contains facilities for forums, questionnaires, lessons, tasks, wikis, glossaries and chats. Therefore, the Moodle platform provides a meeting point for those working in a mathematics course. Mathematics requires special materials and activities: The material must include mathematical objects and the activities included in the virtual course must be able to do mathematical computations. WIRIS is a powerful software for educational environments. It has libraries for calculus, algebra, geometry and much more. In this article, examples showing the use of WIRIS in numerical methods and examples of using a new tool, WIRIS quizzes, are illustrated. By enhancing Moodle with WIRIS, we can add random learning questions to modules. Moodle has a simpler version of this capability, but WIRIS extends the method in which the random material is presented to the students. Random objects can appear in a question, in a variable of a question, in a plot or in the definition of a mathematical object. This article illustrates material prepared for numerical methods using a WIRIS library integrated in WIRIS quizzes. As a result, WIRIS in Moodle can be considered as a global solution for mathematics education.

Partners for Success: A School Library Advocacy Training Program for Principals.

ERIC Educational Resources Information Center

Kachel, Debra E.

2003-01-01

Describes a program developed to help school principals understand the importance of school library media specialists based on "Information Power." Explains modules on academic achievement and school libraries, information literacy and academic standards, library collections and flexible access, and revitalization and evaluation of…

Structure-Guided Screening for Functionally Selective D2 Dopamine Receptor Ligands from a Virtual Chemical Library.

PubMed

Männel, Barbara; Jaiteh, Mariama; Zeifman, Alexey; Randakova, Alena; Möller, Dorothee; Hübner, Harald; Gmeiner, Peter; Carlsson, Jens

2017-10-20

Functionally selective ligands stabilize conformations of G protein-coupled receptors (GPCRs) that induce a preference for signaling via a subset of the intracellular pathways activated by the endogenous agonists. The possibility to fine-tune the functional activity of a receptor provides opportunities to develop drugs that selectively signal via pathways associated with a therapeutic effect and avoid those causing side effects. Animal studies have indicated that ligands displaying functional selectivity at the D 2 dopamine receptor (D 2 R) could be safer and more efficacious drugs against neuropsychiatric diseases. In this work, computational design of functionally selective D 2 R ligands was explored using structure-based virtual screening. Molecular docking of known functionally selective ligands to a D 2 R homology model indicated that such compounds were anchored by interactions with the orthosteric site and extended into a common secondary pocket. A tailored virtual library with close to 13 000 compounds bearing 2,3-dichlorophenylpiperazine, a privileged orthosteric scaffold, connected to diverse chemical moieties via a linker was docked to the D 2 R model. Eighteen top-ranked compounds that occupied both the orthosteric and allosteric site were synthesized, leading to the discovery of 16 partial agonists. A majority of the ligands had comparable maximum effects in the G protein and β-arrestin recruitment assays, but a subset displayed preference for a single pathway. In particular, compound 4 stimulated β-arrestin recruitment (EC 50 = 320 nM, E max = 16%) but had no detectable G protein signaling. The use of structure-based screening and virtual libraries to discover GPCR ligands with tailored functional properties will be discussed.

Automation in College Libraries.

ERIC Educational Resources Information Center

Werking, Richard Hume

1991-01-01

Reports the results of a survey of the "Bowdoin List" group of liberal arts colleges. The survey obtained information about (1) automation modules in place and when they had been installed; (2) financing of automation and its impacts on the library budgets; and (3) library director's views on library automation and the nature of the…

School Library Renaissance in Baltimore County: An Open-and-Shut Case for Library Funding.

ERIC Educational Resources Information Center

Curtis, Della

2000-01-01

Explains how Baltimore County secondary school libraries increased their funding and staffing levels. Discusses a partnership with Towson University for staffing needs; the role of technology; the development of online learning modules; marketing efforts; state standards for library collections; and collection analysis criteria. (LRW)

Patient educational technologies and their use by patients diagnosed with localized prostate cancer.

PubMed

Baverstock, Richard J; Crump, R Trafford; Carlson, Kevin V

2015-09-29

Two urology practices in Calgary, Canada use patient educational technology (PET) as a core component of their clinical practice. The purpose of this study was to determine how patients interact with PET designed to inform them about their treatment options for clinically localized prostate cancer. A PET library was developed with 15 unique prostate-related educational modules relating to diagnosis, treatment options, and potential side effects. The PET collected data regarding its use, and those data were used to conduct a retrospective analysis. Descriptive analyses were conducted and comparisons made between patients' utilization of the PET library during first and subsequent access; Pearson's Chi-Square was used to test for statistical significance, where appropriate. Every patient (n = 394) diagnosed with localized prostate cancer was given access to the PET library using a unique identifier. Of those, 123 logged into the library and viewed at least one module and 94 patients logged into the library more than once. The average patient initially viewed modules pertaining to their diagnosis. Viewing behavior significantly changed in subsequent logins, moving towards modules pertaining to treatment options, decision making, and post-surgical information. As observed through the longitudinal utilization of the PET library, information technology offers clinicians an opportunity to provide an interactive platform to meet patients' dynamic educational needs. Understanding these needs will help inform the development of more useful PETs. The informational needs of patients diagnosed with clinically localized prostate cancer changed throughout the course of their diagnosis and treatment.

Interaction of antithrombin with sulfated, low molecular weight lignins: opportunities for potent, selective modulation of antithrombin function.

PubMed

Henry, Brian L; Connell, Justin; Liang, Aiye; Krishnasamy, Chandravel; Desai, Umesh R

2009-07-31

Antithrombin, a major regulator of coagulation and angiogenesis, is known to interact with several natural sulfated polysaccharides. Previously, we prepared sulfated low molecular weight variants of natural lignins, called sulfated dehydrogenation polymers (DHPs) (Henry, B. L., Monien, B. H., Bock, P. E., and Desai, U. R. (2007) J. Biol. Chem. 282, 31891-31899), which have now been found to exhibit interesting antithrombin binding properties. Sulfated DHPs represent a library of diverse noncarbohydrate aromatic scaffolds that possess structures completely different from heparin and heparan sulfate. Fluorescence binding studies indicate that sulfated DHPs bind to antithrombin with micromolar affinity under physiological conditions. Salt dependence of binding affinity indicates that the antithrombin-sulfated DHP interaction involves a massive 80-87% non-ionic component to the free energy of binding. Competitive binding studies with heparin pentasaccharide, epicatechin sulfate, and full-length heparin indicate that sulfated DHPs bind to both the pentasaccharide-binding site and extended heparin-binding site of antithrombin. Affinity capillary electrophoresis resolves a limited number of peaks of antithrombin co-complexes suggesting preferential binding of selected DHP structures to the serpin. Computational genetic algorithm-based virtual screening study shows that only one sulfated DHP structure, out of the 11 present in a library of plausible sequences, bound in the heparin-binding site with a high calculated score supporting selectivity of recognition. Enzyme inhibition studies indicate that only one of the three sulfated DHPs studied is a potent inhibitor of free factor VIIa in the presence of antithrombin. Overall, the chemo-enzymatic origin and antithrombin binding properties of sulfated DHPs present novel opportunities for potent and selective modulation of the serpin function, especially for inhibiting the initiation phase of hemostasis.

Robot Task Commander with Extensible Programming Environment

NASA Technical Reports Server (NTRS)

Hart, Stephen W (Inventor); Wightman, Brian J (Inventor); Dinh, Duy Paul (Inventor); Yamokoski, John D. (Inventor); Gooding, Dustin R (Inventor)

2014-01-01

A system for developing distributed robot application-level software includes a robot having an associated control module which controls motion of the robot in response to a commanded task, and a robot task commander (RTC) in networked communication with the control module over a network transport layer (NTL). The RTC includes a script engine(s) and a GUI, with a processor and a centralized library of library blocks constructed from an interpretive computer programming code and having input and output connections. The GUI provides access to a Visual Programming Language (VPL) environment and a text editor. In executing a method, the VPL is opened, a task for the robot is built from the code library blocks, and data is assigned to input and output connections identifying input and output data for each block. A task sequence(s) is sent to the control module(s) over the NTL to command execution of the task.

Web-based Three-dimensional Virtual Body Structures: W3D-VBS

PubMed Central

Temkin, Bharti; Acosta, Eric; Hatfield, Paul; Onal, Erhan; Tong, Alex

2002-01-01

Major efforts are being made to improve the teaching of human anatomy to foster cognition of visuospatial relationships. The Visible Human Project of the National Library of Medicine makes it possible to create virtual reality-based applications for teaching anatomy. Integration of traditional cadaver and illustration-based methods with Internet-based simulations brings us closer to this goal. Web-based three-dimensional Virtual Body Structures (W3D-VBS) is a next-generation immersive anatomical training system for teaching human anatomy over the Internet. It uses Visible Human data to dynamically explore, select, extract, visualize, manipulate, and stereoscopically palpate realistic virtual body structures with a haptic device. Tracking user’s progress through evaluation tools helps customize lesson plans. A self-guided “virtual tour” of the whole body allows investigation of labeled virtual dissections repetitively, at any time and place a user requires it. PMID:12223495

Web-based three-dimensional Virtual Body Structures: W3D-VBS.

PubMed

Temkin, Bharti; Acosta, Eric; Hatfield, Paul; Onal, Erhan; Tong, Alex

2002-01-01

Major efforts are being made to improve the teaching of human anatomy to foster cognition of visuospatial relationships. The Visible Human Project of the National Library of Medicine makes it possible to create virtual reality-based applications for teaching anatomy. Integration of traditional cadaver and illustration-based methods with Internet-based simulations brings us closer to this goal. Web-based three-dimensional Virtual Body Structures (W3D-VBS) is a next-generation immersive anatomical training system for teaching human anatomy over the Internet. It uses Visible Human data to dynamically explore, select, extract, visualize, manipulate, and stereoscopically palpate realistic virtual body structures with a haptic device. Tracking user's progress through evaluation tools helps customize lesson plans. A self-guided "virtual tour" of the whole body allows investigation of labeled virtual dissections repetitively, at any time and place a user requires it.

Dockres: a computer program that analyzes the output of virtual screening of small molecules

PubMed Central

2010-01-01

Background This paper describes a computer program named Dockres that is designed to analyze and summarize results of virtual screening of small molecules. The program is supplemented with utilities that support the screening process. Foremost among these utilities are scripts that run the virtual screening of a chemical library on a large number of processors in parallel. Methods Dockres and some of its supporting utilities are written Fortran-77; other utilities are written as C-shell scripts. They support the parallel execution of the screening. The current implementation of the program handles virtual screening with Autodock-3 and Autodock-4, but can be extended to work with the output of other programs. Results Analysis of virtual screening by Dockres led to both active and selective lead compounds. Conclusions Analysis of virtual screening was facilitated and enhanced by Dockres in both the authors' laboratories as well as laboratories elsewhere. PMID:20205801

Composing compound libraries for hit discovery--rationality-driven preselection or random choice by structural diversity?

PubMed

Weidel, Elisabeth; Negri, Matthias; Empting, Martin; Hinsberger, Stefan; Hartmann, Rolf W

2014-01-01

In order to identify new scaffolds for drug discovery, surface plasmon resonance is frequently used to screen structurally diverse libraries. Usually, hit rates are low and identification processes are time consuming. Hence, approaches which improve hit rates and, thus, reduce the library size are required. In this work, we studied three often used strategies for their applicability to identify inhibitors of PqsD. In two of them, target-specific aspects like inhibition of a homologous protein or predicted binding determined by virtual screening were used for compound preselection. Finally, a fragment library, covering a large chemical space, was screened and served as comparison. Indeed, higher hit rates were observed for methods employing preselected libraries indicating that target-oriented compound selection provides a time-effective alternative.

CSBB-ConeExclusion, adapting structure based solution virtual screening to libraries on solid support.

PubMed

Shave, Steven; Auer, Manfred

2013-12-23

Combinatorial chemical libraries produced on solid support offer fast and cost-effective access to a large number of unique compounds. If such libraries are screened directly on-bead, the speed at which chemical space can be explored by chemists is much greater than that addressable using solution based synthesis and screening methods. Solution based screening has a large supporting body of software such as structure-based virtual screening tools which enable the prediction of protein-ligand complexes. Use of these techniques to predict the protein bound complexes of compounds synthesized on solid support neglects to take into account the conjugation site on the small molecule ligand. This may invalidate predicted binding modes, the linker may be clashing with protein atoms. We present CSBB-ConeExclusion, a methodology and computer program which provides a measure of the applicability of solution dockings to solid support. Output is given in the form of statistics for each docking pose, a unique 2D visualization method which can be used to determine applicability at a glance, and automatically generated PyMol scripts allowing visualization of protein atom incursion into a defined exclusion volume. CSBB-ConeExclusion is then exemplarically used to determine the optimum attachment point for a purine library targeting cyclin-dependent kinase 2 CDK2.

Promoting Educational Equity through School Libraries. Module 4: Sex-Fair Resources for School Libraries.

ERIC Educational Resources Information Center

Nilsen, Alleen Pace; Tyler, Karen Beyard

The school librarian or media specialist who wishes to promote educational equity through the selection of sex-fair materials is offered guidance in determining the suitability of reference sources in this fourth learning module of a continuing education program. The inadequacies of traditional resources are examined in three categories--omissions…

Open-Source Tools for Enhancing Full-Text Searching of OPACs: Use of Koha, Greenstone and Fedora

ERIC Educational Resources Information Center

Anuradha, K. T.; Sivakaminathan, R.; Kumar, P. Arun

2011-01-01

Purpose: There are many library automation packages available as open-source software, comprising two modules: staff-client module and online public access catalogue (OPAC). Although the OPAC of these library automation packages provides advanced features of searching and retrieval of bibliographic records, none of them facilitate full-text…

Promoting Educational Equity through School Libraries. Module 5: Educational Equity in the Library.

ERIC Educational Resources Information Center

Nilsen, Alleen Pace; Tyler, Karen Beyard

Suggestions offered in the fifth module of a continuing education program for inservice school media specialists are designed to aid in identifying sexism and sex-role stereotyping in instructional materials, and help trainees foster educational equity in their own institutions. The first part is concerned with the promotion of such equity through…

Quantitative structure-activity relationship analysis and virtual screening studies for identifying HDAC2 inhibitors from known HDAC bioactive chemical libraries.

PubMed

Pham-The, H; Casañola-Martin, G; Diéguez-Santana, K; Nguyen-Hai, N; Ngoc, N T; Vu-Duc, L; Le-Thi-Thu, H

2017-03-01

Histone deacetylases (HDAC) are emerging as promising targets in cancer, neuronal diseases and immune disorders. Computational modelling approaches have been widely applied for the virtual screening and rational design of novel HDAC inhibitors. In this study, different machine learning (ML) techniques were applied for the development of models that accurately discriminate HDAC2 inhibitors form non-inhibitors. The obtained models showed encouraging results, with the global accuracy in the external set ranging from 0.83 to 0.90. Various aspects related to the comparison of modelling techniques, applicability domain and descriptor interpretations were discussed. Finally, consensus predictions of these models were used for screening HDAC2 inhibitors from four chemical libraries whose bioactivities against HDAC1, HDAC3, HDAC6 and HDAC8 have been known. According to the results of virtual screening assays, structures of some hits with pair-isoform-selective activity (between HDAC2 and other HDACs) were revealed. This study illustrates the power of ML-based QSAR approaches for the screening and discovery of potent, isoform-selective HDACIs.

Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries.

PubMed

Schuster, Daniela; Nashev, Lyubomir G; Kirchmair, Johannes; Laggner, Christian; Wolber, Gerhard; Langer, Thierry; Odermatt, Alex

2008-07-24

17Beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) plays a pivotal role in the local synthesis of the most potent estrogen estradiol. Its expression is a prognostic marker for the outcome of patients with breast cancer and inhibition of 17beta-HSD1 is currently under consideration for breast cancer prevention and treatment. We aimed to identify nonsteroidal 17beta-HSD1 inhibitor scaffolds by virtual screening with pharmacophore models built from crystal structures containing steroidal compounds. The most promising model was validated by comparing predicted and experimentally determined inhibitory activities of several flavonoids. Subsequently, a virtual library of nonsteroidal compounds was screened against the 3D pharmacophore. Analysis of 14 selected compounds yielded four that inhibited the activity of human 17beta-HSD1 (IC 50 below 50 microM). Specificity assessment of identified 17beta-HSD1 inhibitors emphasized the importance of including related short-chain dehydrogenase/reductase (SDR) members to analyze off-target effects. Compound 29 displayed at least 10-fold selectivity over the related SDR enzymes tested.

Virtual manufacturing in reality

NASA Astrophysics Data System (ADS)

Papstel, Jyri; Saks, Alo

2000-10-01

SMEs play an important role in manufacturing industry. But from time to time there is a shortage in resources to complete the particular order in time. Number of systems is introduced to produce digital information in order to support product and process development activities. Main problem is lack of opportunity for direct data transition within design system modules when needed temporary extension of design capacity (virtuality) or to implement integrated concurrent product development principles. The planning experience in the field is weakly used as well. The concept of virtual manufacturing is a supporting idea to solve this problem. At the same time a number of practical problems should be solved like information conformity, data transfer, unified technological concepts acceptation etc. In the present paper the proposed ways to solve the practical problems of virtual manufacturing are described. General objective is to introduce the knowledge-based CAPP system as missing module for Virtual Manufacturing in the selected product domain. Surface-centered planning concept based on STEP- based modeling principles, and knowledge-based process planning methodology will be used to gain the objectives. As a result the planning module supplied by design data with direct access, and supporting advising environment is expected. Mould producing SME would be as test basis.

Milestone Completion Report WBS 1.3.5.05 ECP/VTK-m FY17Q2 [MS-17/01] Better Dynamic Types Design SDA05-1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moreland, Kenneth D.

The FY17Q2 milestone of the ECP/VTK-m project, which is the first milestone, includes the completion of design documents for the introduction of virtual methods into the VTK-m framework. Specifically, the ability from within the code of a device (e.g. GPU or Xeon Phi) to jump to a virtual method specified at run time. This change will enable us to drastically reduce the compile time and the executable code size for the VTK-m library. Our first design introduced the idea of adding virtual functions to classes that are used during algorithm execution. (Virtual methods were previously banned from the so calledmore » execution environment.) The design was straightforward. VTK-m already has the generic concepts of an “array handle” that provides a uniform interface to memory of different structures and an “array portal” that provides generic access to said memory. These array handles and portals use C++ templating to adjust them to different memory structures. This composition provides a powerful ability to adapt to data sources, but requires knowing static types. The proposed design creates a template specialization of an array portal that decorates another array handle while hiding its type. In this way we can wrap any type of static array handle and then feed it to a single compiled instance of a function. The second design focused on the mechanics of implementing virtual methods on parallel devices with a focus on CUDA. Our initial experiments on CUDA showed a very large overhead for using virtual C++ classes with virtual methods, the standard approach. Instead, we are using an alternate method provided by C that uses function pointers. With the completion of this milestone, we are able to move to the implementation of objects with virtual (like) methods. The upshot will be much faster compile times and much smaller library/executable sizes.« less

Total Library Computerization, Version 2: A DOS-Based Program from On Point, Inc., for Managing Small to Midsized Libraries.

ERIC Educational Resources Information Center

Combs, Joseph, Jr.

1995-01-01

Reviews the Total Library Computerization program, which can be used to manage small to midsized libraries. Discusses costs; operating system requirements; security features; user-interface styles; and system modules including online cataloging, circulation, serials control, acquisitions, authorities control, and interlibrary loan. (Author/JMV)

Pharmacophore screening of the protein data bank for specific binding site chemistry.

PubMed

Campagna-Slater, Valérie; Arrowsmith, Andrew G; Zhao, Yong; Schapira, Matthieu

2010-03-22

A simple computational approach was developed to screen the Protein Data Bank (PDB) for putative pockets possessing a specific binding site chemistry and geometry. The method employs two commonly used 3D screening technologies, namely identification of cavities in protein structures and pharmacophore screening of chemical libraries. For each protein structure, a pocket finding algorithm is used to extract potential binding sites containing the correct types of residues, which are then stored in a large SDF-formatted virtual library; pharmacophore filters describing the desired binding site chemistry and geometry are then applied to screen this virtual library and identify pockets matching the specified structural chemistry. As an example, this approach was used to screen all human protein structures in the PDB and identify sites having chemistry similar to that of known methyl-lysine binding domains that recognize chromatin methylation marks. The selected genes include known readers of the histone code as well as novel binding pockets that may be involved in epigenetic signaling. Putative allosteric sites were identified on the structures of TP53BP1, L3MBTL3, CHEK1, KDM4A, and CREBBP.

Copper(I)-induced amplification of a [2]catenane in a virtual dynamic library of macrocyclic alkenes.

PubMed

Berrocal, José Augusto; Nieuwenhuizen, Marko M L; Mandolini, Luigi; Meijer, E W; Di Stefano, Stefano

2014-08-28

Olefin cross-metathesis of diluted dichloromethane solutions (≤0.15 M) of the 28-membered macrocyclic alkene C1, featuring a 1,10-phenanthroline moiety in the backbone, as well as of catenand 1, composed of two identical interlocked C1 units, generates families of noninterlocked oligomers Ci. The composition of the libraries is strongly dependent on the monomer concentration, but independent of whether C1 or 1 is used as feedstock, as expected for truly equilibrated systems. Accordingly, the limiting value 0.022 M approached by the equilibrium concentration of C1 when the total monomer concentration approaches the critical value, as predicted by the Jacobson-Stockmayer theory, provides a reliable estimate of the thermodynamically effective molarity. Catenand 1 behaves as a virtual component of the dynamic libraries, in that there is no detectable trace of its presence in the equilibrated mixtures, but becomes the major component - in the form of its copper(I) complex - when olefin cross-metathesis is carried out in the presence of a copper(I) salt.

Virtual Screening Approaches towards the Discovery of Toll-Like Receptor Modulators

PubMed Central

Pérez-Regidor, Lucía; Zarioh, Malik; Ortega, Laura; Martín-Santamaría, Sonsoles

2016-01-01

This review aims to summarize the latest efforts performed in the search for novel chemical entities such as Toll-like receptor (TLR) modulators by means of virtual screening techniques. This is an emergent research field with only very recent (and successful) contributions. Identification of drug-like molecules with potential therapeutic applications for the treatment of a variety of TLR-regulated diseases has attracted considerable interest due to the clinical potential. Additionally, the virtual screening databases and computational tools employed have been overviewed in a descriptive way, widening the scope for researchers interested in the field. PMID:27618029

vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available.

PubMed

Chaput, Ludovic; Martinez-Sanz, Juan; Quiniou, Eric; Rigolet, Pascal; Saettel, Nicolas; Mouawad, Liliane

2016-01-01

In drug design, one may be confronted to the problem of finding hits for targets for which no small inhibiting molecules are known and only low-throughput experiments are available (like ITC or NMR studies), two common difficulties encountered in a typical academic setting. Using a virtual screening strategy like docking can alleviate some of the problems and save a considerable amount of time by selecting only top-ranking molecules, but only if the method is very efficient, i.e. when a good proportion of actives are found in the 1-10 % best ranked molecules. The use of several programs (in our study, Gold, Surflex, FlexX and Glide were considered) shows a divergence of the results, which presents a difficulty in guiding the experiments. To overcome this divergence and increase the yield of the virtual screening, we created the standard deviation consensus (SDC) and variable SDC (vSDC) methods, consisting of the intersection of molecule sets from several virtual screening programs, based on the standard deviations of their ranking distributions. SDC allowed us to find hits for two new protein targets by testing only 9 and 11 small molecules from a chemical library of circa 15,000 compounds. Furthermore, vSDC, when applied to the 102 proteins of the DUD-E benchmarking database, succeeded in finding more hits than any of the four isolated programs for 13-60 % of the targets. In addition, when only 10 molecules of each of the 102 chemical libraries were considered, vSDC performed better in the number of hits found, with an improvement of 6-24 % over the 10 best-ranked molecules given by the individual docking programs.Graphical abstractIn drug design, for a given target and a given chemical library, the results obtained with different virtual screening programs are divergent. So how to rationally guide the experimental tests, especially when only a few number of experiments can be made? The variable Standard Deviation Consensus (vSDC) method was developed to answer this issue. Left panel the vSDC principle consists of intersecting molecule sets, chosen on the basis of the standard deviations of their ranking distributions, obtained from various virtual screening programs. In this study Glide, Gold, FlexX and Surflex were used and tested on the 102 targets of the DUD-E database. Right panel Comparison of the average percentage of hits found with vSDC and each of the four programs, when only 10 molecules from each of the 102 chemical libraries of the DUD-E database were considered. On average, vSDC was capable of finding 38 % of the findable hits, against 34 % for Glide, 32 % for Gold, 16 % for FlexX and 14 % for Surflex, showing that with vSDC, it was possible to overcome the unpredictability of the virtual screening results and to improve them.

A kickball game for ankle rehabilitation by JAVA, JNI, and VRML

NASA Astrophysics Data System (ADS)

Choi, Hyungjeen; Ryu, Jeha; Lee, Chansu

2004-03-01

This paper presents development of a virtual environment that can be applied to the ankle rehabilitation procedure. We developed a virtual football stadium to intrigue a patient, where two degree of freedom (DOF) plate-shaped object is oriented to kick a ball falling from the sky in accordance with the data from the ankle's dorisflexion/plantarflexion and inversion/eversion motion on the moving platform of the K-Platform. This Kickball Game is implemented by Virtual Reality Modeling Language (VRML). To control virtual objects, data from the K-Platform are transmitted through the communication module implemented in C++. Java, Java Native Interface (JNI) and VRML plug-in are combined together so as to interface the communication module with the virtual environment by VRML. This game may be applied to the Active Range of Motion (AROM) exercise procedure that is one of the ankle rehabilitation procedures.

A New Cloud Architecture of Virtual Trusted Platform Modules

NASA Astrophysics Data System (ADS)

Liu, Dongxi; Lee, Jack; Jang, Julian; Nepal, Surya; Zic, John

We propose and implement a cloud architecture of virtual Trusted Platform Modules (TPMs) to improve the usability of TPMs. In this architecture, virtual TPMs can be obtained from the TPM cloud on demand. Hence, the TPM functionality is available for applications that do not have physical TPMs in their local platforms. Moreover, the TPM cloud allows users to access their keys and data in the same virtual TPM even if they move to untrusted platforms. The TPM cloud is easy to access for applications in different languages since cloud computing delivers services in standard protocols. The functionality of the TPM cloud is demonstrated by applying it to implement the Needham-Schroeder public-key protocol for web authentications, such that the strong security provided by TPMs is integrated into high level applications. The chain of trust based on the TPM cloud is discussed and the security properties of the virtual TPMs in the cloud is analyzed.

Developing a virtual community for health sciences library book selection: Doody's Core Titles.

PubMed

Shedlock, James; Walton, Linda J

2006-01-01

The purpose of this article is to describe Doody's Core Titles in the Health Sciences as a new selection guide and a virtual community based on an effective use of online systems and to describe its potential impact on library collection development. The setting is the availability of health sciences selection guides. Participants include Doody Enterprise staff, Doody's Library Board of Advisors, content specialists, and library selectors. Resources include the online system used to create Doody's Core Titles along with references to complementary databases. Doody's Core Titles is described and discussed in relation to the literature of selection guides, especially in comparison to the Brandon/Hill selected lists that were published from 1965 to 2003. Doody's Core Titles seeks to fill the vacuum created when the Brandon/Hill lists ceased publication. Doody's Core Titles is a unique selection guide based on its method of creating an online community of experts to identify and score a core list of titles in 119 health sciences specialties and disciplines. The result is a new selection guide, now available annually, that will aid health sciences librarians in identifying core titles for local collections. Doody's Core Titles organizes the evaluation of core titles that are identified and recommended by content specialists associated with Doody's Book Review Service and library selectors. A scoring mechanism is used to create the selection of core titles, similar to the star rating system employed in other Doody Enterprise products and services.

Exercise-Induced Bronchoconstriction (EIB)

MedlinePlus

... Primary Immunodeficiency Disease Related Conditions Drug Guide Conditions Dictionary Just for Kids Library School Tools Videos Virtual ... Search AAAAI Breadcrumb navigation Home ▸ Conditions & Treatments ▸ Conditions Dictionary ▸ ... Share | Exercise-Induced Bronchoconstriction (EIB) « ...

How to benchmark methods for structure-based virtual screening of large compound libraries.

PubMed

Christofferson, Andrew J; Huang, Niu

2012-01-01

Structure-based virtual screening is a useful computational technique for ligand discovery. To systematically evaluate different docking approaches, it is important to have a consistent benchmarking protocol that is both relevant and unbiased. Here, we describe the designing of a benchmarking data set for docking screen assessment, a standard docking screening process, and the analysis and presentation of the enrichment of annotated ligands among a background decoy database.

Intelligent web agents for a 3D virtual community

NASA Astrophysics Data System (ADS)

Dave, T. M.; Zhang, Yanqing; Owen, G. S. S.; Sunderraman, Rajshekhar

2003-08-01

In this paper, we propose an Avatar-based intelligent agent technique for 3D Web based Virtual Communities based on distributed artificial intelligence, intelligent agent techniques, and databases and knowledge bases in a digital library. One of the goals of this joint NSF (IIS-9980130) and ACM SIGGRAPH Education Committee (ASEC) project is to create a virtual community of educators and students who have a common interest in comptuer graphics, visualization, and interactive techniqeus. In this virtual community (ASEC World) Avatars will represent the educators, students, and other visitors to the world. Intelligent agents represented as specially dressed Avatars will be available to assist the visitors to ASEC World. The basic Web client-server architecture of the intelligent knowledge-based avatars is given. Importantly, the intelligent Web agent software system for the 3D virtual community is implemented successfully.

Librarian-Faculty Collaboration on a Library Research Assignment and Module for College Experience Classes

ERIC Educational Resources Information Center

Keyes, Anne; Barbier, Pat

2013-01-01

A librarian and faculty member collaborated on creating a library research module for students in the faculty member's college success classes to help them learn the fundamentals of information literacy. Using the assignment "My Ideal Job," the students met four or more times with the librarian in a computer classroom to learn how to do…

Sinuses / Sinusitis / Rhinosinusitis

MedlinePlus

... Primary Immunodeficiency Disease Related Conditions Drug Guide Conditions Dictionary Just for Kids Library School Tools Videos Virtual ... Search AAAAI Breadcrumb navigation Home ▸ Conditions & Treatments ▸ Conditions Dictionary ▸ Sinuses|Sinusitis|Rhinosinusitis Share | Sinuses | Sinusitis | Rhinosinusitis « Back ...

76 FR 68745 - DC Energy, LLC; DC Energy Mid-Atlantic, LLC

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-07

...) (Respondent) concerning the applicability of certain charges to virtual transactions. Any person desiring to....gov , using the ``eLibrary'' link and is available for review in the Commission's Public Reference...

Mastery-Based Virtual Reality Robotic Simulation Curriculum: The First Step Toward Operative Robotic Proficiency.

PubMed

Hogg, Melissa E; Tam, Vernissia; Zenati, Mazen; Novak, Stephanie; Miller, Jennifer; Zureikat, Amer H; Zeh, Herbert J

Hepatobiliary surgery is a highly complex, low-volume specialty with long learning curves necessary to achieve optimal outcomes. This creates significant challenges in both training and measuring surgical proficiency. We hypothesize that a virtual reality curriculum with mastery-based simulation is a valid tool to train fellows toward operative proficiency. This study evaluates the content and predictive validity of robotic simulation curriculum as a first step toward developing a comprehensive, proficiency-based pathway. A mastery-based simulation curriculum was performed in a virtual reality environment. A pretest/posttest experimental design used both virtual reality and inanimate environments to evaluate improvement. Participants self-reported previous robotic experience and assessed the curriculum by rating modules based on difficulty and utility. This study was conducted at the University of Pittsburgh Medical Center (Pittsburgh, PA), a tertiary care academic teaching hospital. A total of 17 surgical oncology fellows enrolled in the curriculum, 16 (94%) completed. Of 16 fellows who completed the curriculum, 4 fellows (25%) achieved mastery on all 24 modules; on average, fellows mastered 86% of the modules. Following curriculum completion, individual test scores improved (p < 0.0001). An average of 2.4 attempts was necessary to master each module (range: 1-17). Median time spent completing the curriculum was 4.2 hours (range: 1.1-6.6). Total 8 (50%) fellows continued practicing modules beyond mastery. Survey results show that "needle driving" and "endowrist 2" modules were perceived as most difficult although "needle driving" modules were most useful. Overall, 15 (94%) fellows perceived improvement in robotic skills after completing the curriculum. In a cohort of board-certified general surgeons who are novices in robotic surgery, a mastery-based simulation curriculum demonstrated internal validity with overall score improvement. Time to complete the curriculum was manageable. Published by Elsevier Inc.

Proven in vitro evolution of protease cathepsin E-inhibitors and -activators at pH 4.5 using a paired peptide method.

PubMed

Kitamura, Koichiro; Komatsu, Masayuki; Biyani, Madhu; Futakami, Masae; Kawakubo, Tomoyo; Yamamoto, Kenji; Nishigaki, Koichi

2012-12-01

Improving a particular function of molecules is often more difficult than identifying such molecules ab initio. Here, a method to acquire higher affinity and/or more functional peptides was developed as a progressive library selection method. The primary library selection products were utilized to build a secondary library composed of blocks of 4 amino acids, of which selection led to peptides with increased activity. These peptides were further converted to randomly generate paired peptides. Cathepsin E-inhibitors thus obtained exhibited the highest activities and affinities (pM order). This was also the case with cathepsin E-activating peptides, proving the methodological effectiveness. The primary, secondary, and tertiary library selections can be regarded as module-finding, module-shuffling, and module-pairing, respectively, which resembles the progression of the natural evolution of proteins. The mode of peptide binding to their target proteins is discussed in analogy to antibodies and epitopes of an antigen. Copyright © 2012 European Peptide Society and John Wiley & Sons, Ltd.

The Modular Modeling System (MMS): User's Manual

USGS Publications Warehouse

Leavesley, G.H.; Restrepo, Pedro J.; Markstrom, S.L.; Dixon, M.; Stannard, L.G.

1996-01-01

The Modular Modeling System (MMS) is an integrated system of computer software that has been developed to provide the research and operational framework needed to support development, testing, and evaluation of physical-process algorithms and to facilitate integration of user-selected sets of algorithms into operational physical-process models. MMS uses a module library that contains modules for simulating a variety of water, energy, and biogeochemical processes. A model is created by selectively coupling the most appropriate modules from the library to create a 'suitable' model for the desired application. Where existing modules do not provide appropriate process algorithms, new modules can be developed. The MMS user's manual provides installation instructions and a detailed discussion of system concepts, module development, and model development and application using the MMS graphical user interface.

Fundamental arthroscopic skill differentiation with virtual reality simulation.

PubMed

Rose, Kelsey; Pedowitz, Robert

2015-02-01

The purpose of this study was to investigate the use and validity of virtual reality modules as part of the educational approach to mastering arthroscopy in a safe environment by assessing the ability to distinguish between experience levels. Additionally, the study aimed to evaluate whether experts have greater ambidexterity than do novices. Three virtual reality modules (Swemac/Augmented Reality Systems, Linkoping, Sweden) were created to test fundamental arthroscopic skills. Thirty participants-10 experts consisting of faculty, 10 intermediate participants consisting of orthopaedic residents, and 10 novices consisting of medical students-performed each exercise. Steady and Telescope was designed to train centering and image stability. Steady and Probe was designed to train basic triangulation. Track and Moving Target was designed to train coordinated motions of arthroscope and probe. Metrics reflecting speed, accuracy, and efficiency of motion were used to measure construct validity. Steady and Probe and Track a Moving Target both exhibited construct validity, with better performance by experts and intermediate participants than by novices (P < .05), whereas Steady and Telescope did not show validity. There was an overall trend toward better ambidexterity as a function of greater surgical experience, with experts consistently more proficient than novices throughout all 3 modules. This study represents a new way to assess basic arthroscopy skills using virtual reality modules developed through task deconstruction. Participants with the most arthroscopic experience performed better and were more consistent than novices on all 3 virtual reality modules. Greater arthroscopic experience correlates with more symmetry of ambidextrous performance. However, further adjustment of the modules may better simulate fundamental arthroscopic skills and discriminate between experience levels. Arthroscopy training is a critical element of orthopaedic surgery resident training. Developing techniques to safely and effectively train these skills is critical for patient safety and resident education. Copyright © 2015 Arthroscopy Association of North America. Published by Elsevier Inc. All rights reserved.

Learning about the Unit Cell and Crystal Lattice with Computerized Simulations and Games: A Pilot Study

ERIC Educational Resources Information Center

Luealamai, Sutha; Panijpan, Bhinyo

2012-01-01

The authors have developed a computer-based learning module on the unit cell of various types of crystal. The module has two components: the virtual unit cell (VUC) part and the subsequent unit cell hunter part. The VUC is a virtual reality simulation for students to actively arrive at the unit cell from exploring, from a broad view, the crystal…

Improving student dentist competencies and perception of difficulty in delivering care to children with developmental disabilities using a virtual patient module.

PubMed

Kleinert, Harold L; Sanders, Carla; Mink, John; Nash, David; Johnson, Jeff; Boyd, Sara; Challman, Sandra

2007-02-01

An interactive, multimedia, virtual patient module was designed and developed on compact disc (CD-ROM) to address the need for student dentists to increase their competence and decrease their perception of difficulty in caring for children with developmental disabilities. A development team consisting of pediatric dentistry faculty members, parents of children with developmental disabilities, an individual with a developmental disability, and educational specialists developed an interactive virtual patient case. The case involved a ten-year-old child with Down syndrome presenting with a painful tooth. Student dentists were required to make decisions regarding proper interactions with the child, as well as appropriate clinical procedures throughout the case. Differences in perceived difficulty level and knowledge change were measured, as well as the student dentists' overall satisfaction with the learning experience. Significant results were obtained in both perceived difficulty level and knowledge-based measures for student dentists. Participants reported overall satisfaction with the modules. Preparing student dentists to provide sensitive and competent care for children with developmental disabilities is a critical need within dentistry. This study demonstrated that an interactive, multimedia (CD-ROM), virtual patient learning module for student dentists is potentially an effective tool in meeting this need.

Enabling Data Intensive Science through Service Oriented Science: Virtual Laboratories and Science Gateways

NASA Astrophysics Data System (ADS)

Lescinsky, D. T.; Wyborn, L. A.; Evans, B. J. K.; Allen, C.; Fraser, R.; Rankine, T.

2014-12-01

We present collaborative work on a generic, modular infrastructure for virtual laboratories (VLs, similar to science gateways) that combine online access to data, scientific code, and computing resources as services that support multiple data intensive scientific computing needs across a wide range of science disciplines. We are leveraging access to 10+ PB of earth science data on Lustre filesystems at Australia's National Computational Infrastructure (NCI) Research Data Storage Infrastructure (RDSI) node, co-located with NCI's 1.2 PFlop Raijin supercomputer and a 3000 CPU core research cloud. The development, maintenance and sustainability of VLs is best accomplished through modularisation and standardisation of interfaces between components. Our approach has been to break up tightly-coupled, specialised application packages into modules, with identified best techniques and algorithms repackaged either as data services or scientific tools that are accessible across domains. The data services can be used to manipulate, visualise and transform multiple data types whilst the scientific tools can be used in concert with multiple scientific codes. We are currently designing a scalable generic infrastructure that will handle scientific code as modularised services and thereby enable the rapid/easy deployment of new codes or versions of codes. The goal is to build open source libraries/collections of scientific tools, scripts and modelling codes that can be combined in specially designed deployments. Additional services in development include: provenance, publication of results, monitoring, workflow tools, etc. The generic VL infrastructure will be hosted at NCI, but can access alternative computing infrastructures (i.e., public/private cloud, HPC).The Virtual Geophysics Laboratory (VGL) was developed as a pilot project to demonstrate the underlying technology. This base is now being redesigned and generalised to develop a Virtual Hazards Impact and Risk Laboratory (VHIRL); any enhancements and new capabilities will be incorporated into a generic VL infrastructure. At same time, we are scoping seven new VLs and in the process, identifying other common components to prioritise and focus development.

Photos & Graphics: Urticaria (Hives) and Angioedema

MedlinePlus

... Conditions Drug Guide Conditions Dictionary Just for Kids Library School Tools Videos Virtual Allergist Education & Training Careers in ... Support the AAAAI Foundation Donate Utility navigation Español Journals Annual Meeting Member Login / My Membership Search navigation ...

Scheduling language and algorithm development study. Volume 2: Use of the basic language and module library

NASA Technical Reports Server (NTRS)

Chamberlain, R. A.; Cornick, D. E.; Flater, J. F.; Odoherty, R. J.; Peterson, F. M.; Ramsey, H. R.; Willoughby, J. K.

1974-01-01

The capabilities of the specified scheduling language and the program module library are outlined. The summary is written with the potential user in mind and, therefore, provides maximum insight on how the capabilities will be helpful in writing scheduling programs. Simple examples and illustrations are provided to assist the potential user in applying the capabilities of his problem.

Development of high-throughput phenotyping of metagenomic clones from the human gut microbiome for modulation of eukaryotic cell growth.

PubMed

Gloux, Karine; Leclerc, Marion; Iliozer, Harout; L'Haridon, René; Manichanh, Chaysavanh; Corthier, Gérard; Nalin, Renaud; Blottière, Hervé M; Doré, Joël

2007-06-01

Metagenomic libraries derived from human intestinal microbiota (20,725 clones) were screened for epithelial cell growth modulation. Modulatory clones belonging to the four phyla represented among the metagenomic libraries were identified (hit rate, 0.04 to 8.7% depending on the screening cutoff). Several candidate loci were identified by transposon mutagenesis and subcloning.

Estimation of the state of solar activity type stars by virtual observations of CrAVO

NASA Astrophysics Data System (ADS)

Dolgov, A. A.; Shlyapnikov, A. A.

2012-05-01

The results of precosseing of negatives with direct images of the sky from CrAO glass library are presented in this work, which became a part of on-line archive of the Crimean Astronomical Virtual Observatory (CrAVO). Based on the obtained data, the parameters of dwarf stars have been estimated, included in the catalog "Stars with solar-type activity" (GTSh10). The following matters are considered: searching methodology of negatives with positions of studied stars and with calculated limited magnitude; image viewing and reduction with the facilities of the International Virtual Observatory; the preliminary results of the photometry of studied objects.

Surgeon-authored Virtual Laparoscopic Adrenalectomy Module is Judged Effective and Preferred over Traditional Teaching Tools

PubMed Central

Kurenov, Sergei; Cendan, Juan; Dindar, Sahel; Attwood, Kristopher; Hassett, James; Nawotniak, Ruth; Cherr, Gregory; Cance, William G.; Peters, Jörg

2018-01-01

Objective The study assesses user acceptance and effectiveness of a surgeon-authored virtual reality training module authored by surgeons using the Toolkit for Illustration Procedures in Surgery (TIPS). Methods Laparoscopic adrenalectomy was selected to test the TIPS framework on an unusual and complex procedure. No commercial simulation module exists to teach this procedure. A specialist surgeon authored the module, including force-feedback interactive simulation and designed a quiz to test knowledge of the key procedural steps. Five practicing surgeons with 15 to 24 years of experience peer-reviewed and tested the module. Fourteen residents and nine fellows trained with the module and answered the quiz, pre-use and post-use. Participants received an overview during Surgical Grand Rounds session and a 20-minute one- on-one tutorial followed by a 30 minute of instruction in addition to a force-feedback interactive simulation session. Additionally, in answering questionnaires, the trainees reflected on their learning experience and their experience with the TIPS framework. Results Correct quiz response rates on procedural steps improved significantly post-use over pre-use. In the questionnaire, 96% of the respondents stated that the TIPS module prepares them well or very well for the adrenalectomy, and 87% indicated that the module successfully teaches the steps of the procedure. All subjects indicated that they preferred the module compare to training using purely physical props, one-on-one teaching, medical atlases, and video recordings. Conclusions Improved quiz scores and endorsement by the participants of the TIPS adrenalectomy module establish the viability of surgeons authoring virtual reality training. PMID:27758896

Evolution of catalytic centers of antibodies by virtual screening of broad repertoire of mutants using supercomputer.

PubMed

Golovin, A V; Smirnov, I V; Stepanova, A V; Zalevskiy, A O; Zlobin, A S; Ponomarenko, N A; Belogurov, A A; Knorre, V D; Hurs, E N; Chatziefthimiou, S D; Wilmanns, M; Blackburn, G M; Khomutov, R M; Gabibov, A G

2017-07-01

It is proposed to perform quantum mechanical/molecular dynamics calculations of chemical reactions that are planned to be catalyzed by antibodies and then conduct a virtual screening of the library of potential antibody mutants to select an optimal biocatalyst. We tested the effectiveness of this approach by the example of hydrolysis of organophosphorus toxicant paraoxon using kinetic approaches and X-ray analysis of the antibody biocatalyst designed de novo.

Virtual Interactive Musculoskeletal System (VIMS) in orthopaedic research, education and clinical patient care.

PubMed

Chao, Edmund Y S; Armiger, Robert S; Yoshida, Hiroaki; Lim, Jonathan; Haraguchi, Naoki

2007-03-08

The ability to combine physiology and engineering analyses with computer sciences has opened the door to the possibility of creating the "Virtual Human" reality. This paper presents a broad foundation for a full-featured biomechanical simulator for the human musculoskeletal system physiology. This simulation technology unites the expertise in biomechanical analysis and graphic modeling to investigate joint and connective tissue mechanics at the structural level and to visualize the results in both static and animated forms together with the model. Adaptable anatomical models including prosthetic implants and fracture fixation devices and a robust computational infrastructure for static, kinematic, kinetic, and stress analyses under varying boundary and loading conditions are incorporated on a common platform, the VIMS (Virtual Interactive Musculoskeletal System). Within this software system, a manageable database containing long bone dimensions, connective tissue material properties and a library of skeletal joint system functional activities and loading conditions are also available and they can easily be modified, updated and expanded. Application software is also available to allow end-users to perform biomechanical analyses interactively. Examples using these models and the computational algorithms in a virtual laboratory environment are used to demonstrate the utility of these unique database and simulation technology. This integrated system, model library and database will impact on orthopaedic education, basic research, device development and application, and clinical patient care related to musculoskeletal joint system reconstruction, trauma management, and rehabilitation.

Virtual interactive musculoskeletal system (VIMS) in orthopaedic research, education and clinical patient care

PubMed Central

Chao, Edmund YS; Armiger, Robert S; Yoshida, Hiroaki; Lim, Jonathan; Haraguchi, Naoki

2007-01-01

The ability to combine physiology and engineering analyses with computer sciences has opened the door to the possibility of creating the "Virtual Human" reality. This paper presents a broad foundation for a full-featured biomechanical simulator for the human musculoskeletal system physiology. This simulation technology unites the expertise in biomechanical analysis and graphic modeling to investigate joint and connective tissue mechanics at the structural level and to visualize the results in both static and animated forms together with the model. Adaptable anatomical models including prosthetic implants and fracture fixation devices and a robust computational infrastructure for static, kinematic, kinetic, and stress analyses under varying boundary and loading conditions are incorporated on a common platform, the VIMS (Virtual Interactive Musculoskeletal System). Within this software system, a manageable database containing long bone dimensions, connective tissue material properties and a library of skeletal joint system functional activities and loading conditions are also available and they can easily be modified, updated and expanded. Application software is also available to allow end-users to perform biomechanical analyses interactively. Examples using these models and the computational algorithms in a virtual laboratory environment are used to demonstrate the utility of these unique database and simulation technology. This integrated system, model library and database will impact on orthopaedic education, basic research, device development and application, and clinical patient care related to musculoskeletal joint system reconstruction, trauma management, and rehabilitation. PMID:17343764

Vicher: A Virtual Reality Based Educational Module for Chemical Reaction Engineering.

ERIC Educational Resources Information Center

Bell, John T.; Fogler, H. Scott

1996-01-01

A virtual reality application for undergraduate chemical kinetics and reactor design education, Vicher (Virtual Chemical Reaction Model) was originally designed to simulate a portion of a modern chemical plant. Vicher now consists of two programs: Vicher I that models catalyst deactivation and Vicher II that models nonisothermal effects in…

Integrating Computerized Virtual Reality with Traditional Methods of Teaching Skull Anatomy

DTIC Science & Technology

2002-12-01

assisting students as they maneuver through the myriad of systems and structures of human anatomy . The global implications of VR are expanding with...2000). This project also seeks to find a way to integrate the print library of human anatomy with a Web-based structural anatomical image library...from their colleagues can potentially utilize a program such as VR from anywhere in the world to explore and reexamine the human anatomy at a time

The War of the Triple Alliance (1864-1870): A Historical Case Study on the Causes of Regional Conflict

DTIC Science & Technology

2009-06-12

The U.S. Library of Congress and the U.S. National Archives are valuable sources, as well as the Biblioteca Nacional del Paraguay (National Library of...2009). 66 Dom Pedro spoke Hebrew, and Arabic, and could read Sanskrit ( Biblioteca Virtual de Paraguay), and he visited the United States in his...27 “Enciclopedia Escolar de la Historia del Paraguay,” Revista ABC Color, February 13, 2000, vol. 6

D Visualization for Virtual Museum Development

NASA Astrophysics Data System (ADS)

Skamantzari, M.; Georgopoulos, A.

2016-06-01

The interest in the development of virtual museums is nowadays rising rapidly. During the last decades there have been numerous efforts concerning the 3D digitization of cultural heritage and the development of virtual museums, digital libraries and serious games. The realistic result has always been the main concern and a real challenge when it comes to 3D modelling of monuments, artifacts and especially sculptures. This paper implements, investigates and evaluates the results of the photogrammetric methods and 3D surveys that were used for the development of a virtual museum. Moreover, the decisions, the actions, the methodology and the main elements that this kind of application should include and take into consideration are described and analysed. It is believed that the outcomes of this application will be useful to researchers who are planning to develop and further improve the attempts made on virtual museums and mass production of 3D models.

A Virtual Childhood Obesity Collaborative: Satisfaction With Online Continuing Education.

PubMed

Gance-Cleveland, Bonnie; Aldrich, Heather; Dandreaux, Danielle; Oetzel, Keri Bolton; Schmiege, Sarah

2015-01-01

This descriptive study evaluated school-based health center (SBHC) providers' satisfaction with Web-based continuing education as part of a virtual childhood obesity intervention. Thirty-six participants from 24 SBHCs in six states participated in the training modules. Modules were divided into four learning sessions, with a total of 17 training modules. Participants completed satisfaction surveys after each module, as well as an overall survey at the end of the training. Questions were rated on a 4-point Likert scale (4 = strongly agree, 3 = agree, 2 = disagree, 1 = strongly disagree). Participation in the first two learning sessions was higher than the last two. Provider satisfaction of training modules by question type and content area was quite high (μ = 3.66-3.33). Overall satisfaction means ranged from 3.76 to 3.24. Many providers also reported plans to make changes in their practice after completing the training. This study demonstrated that a virtual childhood obesity collaborative is an acceptable delivery method for continuing education. Copyright © 2015 National Association of Pediatric Nurse Practitioners. Published by Elsevier Inc. All rights reserved.

Research on virtual network load balancing based on OpenFlow

NASA Astrophysics Data System (ADS)

Peng, Rong; Ding, Lei

2017-08-01

The Network based on OpenFlow technology separate the control module and data forwarding module. Global deployment of load balancing strategy through network view of control plane is fast and of high efficiency. This paper proposes a Weighted Round-Robin Scheduling algorithm for virtual network and a load balancing plan for server load based on OpenFlow. Load of service nodes and load balancing tasks distribution algorithm will be taken into account.

High brightness MEMS mirror based head-up display (HUD) modules with wireless data streaming capability

NASA Astrophysics Data System (ADS)

Milanovic, Veljko; Kasturi, Abhishek; Hachtel, Volker

2015-02-01

A high brightness Head-Up Display (HUD) module was demonstrated with a fast, dual-axis MEMS mirror that displays vector images and text, utilizing its ~8kHz bandwidth on both axes. Two methodologies were evaluated: in one, the mirror steers a laser at wide angles of <48° on transparent multi-color fluorescent emissive film and displays content directly on the windshield, and in the other the mirror displays content on reflective multi-color emissive phosphor plates reflected off the windshield to create a virtual image for the driver. The display module is compact, consisting of a single laser diode, off-the-shelf lenses and a MEMS mirror in combination with a MEMS controller to enable precise movement of the mirror's X- and Y-axis. The MEMS controller offers both USB and wireless streaming capability and we utilize a library of functions on a host computer for creating content and controlling the mirror. Integration with smart phone applications is demonstrated, utilizing the mobile device both for content generation based on various messages or data, and for content streaming to the MEMS controller via Bluetooth interface. The display unit is highly resistant to vibrations and shock, and requires only ~1.5W to operate, even with content readable in sunlit outdoor conditions. The low power requirement is in part due to a vector graphics approach, allowing the efficient use of laser power, and also due to the use of a single, relatively high efficiency laser and simple optics.

The art and science of data curation: Lessons learned from constructing a virtual collection

NASA Astrophysics Data System (ADS)

Bugbee, Kaylin; Ramachandran, Rahul; Maskey, Manil; Gatlin, Patrick

2018-03-01

A digital, or virtual, collection is a value added service developed by libraries that curates information and resources around a topic, theme or organization. Adoption of the virtual collection concept as an Earth science data service improves the discoverability, accessibility and usability of data both within individual data centers but also across data centers and disciplines. In this paper, we introduce a methodology for systematically and rigorously curating Earth science data and information into a cohesive virtual collection. This methodology builds on the geocuration model of searching, selecting and synthesizing Earth science data, metadata and other information into a single and useful collection. We present our experiences curating a virtual collection for one of NASA's twelve Distributed Active Archive Centers (DAACs), the Global Hydrology Resource Center (GHRC), and describe lessons learned as a result of this curation effort. We also provide recommendations and best practices for data centers and data providers who wish to curate virtual collections for the Earth sciences.

Impact of a Paper vs Virtual Simulated Patient Case on Student-Perceived Confidence and Engagement

PubMed Central

Gallimore, Casey E.; Pitterle, Michael; Morrill, Josh

2016-01-01

Objective. To evaluate online case simulation vs a paper case on student confidence and engagement. Design. Students enrolled in a pharmacotherapy laboratory course completed a patient case scenario as a component of an osteoarthritis laboratory module. Two laboratory sections used a paper case (n=53); three sections used an online virtual case simulation (n=81). Student module performance was assessed through a submitted subjective objective assessment plan (SOAP) note. Students completed pre/post surveys to measure self-perceived confidence in providing medication management. The simulation group completed postmodule questions related to realism and engagement of the online virtual case simulation. Group assessments were performed using chi-square and Mann Whitney tests. Assessment. A significant increase in all 13 confidence items was seen in both student groups following completion of the laboratory module. The simulation group had an increased change of confidence compared to the paper group in assessing medication efficacy and documenting a thorough assessment. Comparing the online virtual simulation to a paper case, students agreed the learning experience increased interest, enjoyment, relevance, and realism. The simulation group performed better on the subjective SOAP note domain though no differences in total SOAP note scores was found between the two groups. Conclusion. Virtual case simulations result in increased student engagement and may lead to improved documentation performance in the subjective domain of SOAP notes. However, virtual patient cases may offer limited benefit over paper cases in improving overall student self-confidence to provide medication management. PMID:26941442

Impact of a Paper vs Virtual Simulated Patient Case on Student-Perceived Confidence and Engagement.

PubMed

Barnett, Susanne G; Gallimore, Casey E; Pitterle, Michael; Morrill, Josh

2016-02-25

To evaluate online case simulation vs a paper case on student confidence and engagement. Students enrolled in a pharmacotherapy laboratory course completed a patient case scenario as a component of an osteoarthritis laboratory module. Two laboratory sections used a paper case (n=53); three sections used an online virtual case simulation (n=81). Student module performance was assessed through a submitted subjective objective assessment plan (SOAP) note. Students completed pre/post surveys to measure self-perceived confidence in providing medication management. The simulation group completed postmodule questions related to realism and engagement of the online virtual case simulation. Group assessments were performed using chi-square and Mann Whitney tests. A significant increase in all 13 confidence items was seen in both student groups following completion of the laboratory module. The simulation group had an increased change of confidence compared to the paper group in assessing medication efficacy and documenting a thorough assessment. Comparing the online virtual simulation to a paper case, students agreed the learning experience increased interest, enjoyment, relevance, and realism. The simulation group performed better on the subjective SOAP note domain though no differences in total SOAP note scores was found between the two groups. Virtual case simulations result in increased student engagement and may lead to improved documentation performance in the subjective domain of SOAP notes. However, virtual patient cases may offer limited benefit over paper cases in improving overall student self-confidence to provide medication management.

Developing a virtual community for health sciences library book selection: Doody's Core Titles

PubMed Central

Shedlock, James; Walton, Linda J.

2006-01-01

Purpose: The purpose of this article is to describe Doody's Core Titles in the Health Sciences as a new selection guide and a virtual community based on an effective use of online systems and to describe its potential impact on library collection development. Setting/Participants/Resources: The setting is the availability of health sciences selection guides. Participants include Doody Enterprise staff, Doody's Library Board of Advisors, content specialists, and library selectors. Resources include the online system used to create Doody's Core Titles along with references to complementary databases. Brief Description: Doody's Core Titles is described and discussed in relation to the literature of selection guides, especially in comparison to the Brandon/Hill selected lists that were published from 1965 to 2003. Doody's Core Titles seeks to fill the vacuum created when the Brandon/Hill lists ceased publication. Doody's Core Titles is a unique selection guide based on its method of creating an online community of experts to identify and score a core list of titles in 119 health sciences specialties and disciplines. Results/Outcome: The result is a new selection guide, now available annually, that will aid health sciences librarians in identifying core titles for local collections. Evaluation Method: Doody's Core Titles organizes the evaluation of core titles that are identified and recommended by content specialists associated with Doody's Book Review Service and library selectors. A scoring mechanism is used to create the selection of core titles, similar to the star rating system employed in other Doody Enterprise products and services. PMID:16404471

77 FR 37394 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-21

...: Revisions to the Tariff Att Q to modify PJM's Credit Standards for Virtual Bids to be effective 8/8/2012.../12. The filings are accessible in the Commission's eLibrary system by clicking on the links or...

78 FR 61941 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-07

.... Applicants: Southwest Power Pool, Inc. Description: Revisions to Day-Ahead Virtual Energy Transaction Fee to...: 20130924-5121. Comments Due: 5 p.m. e.t. 10/15/13. The filings are accessible in the Commission's eLibrary...

An Integrated Library System from Existing Microcomputer Programs.

ERIC Educational Resources Information Center

Kuntz, Lynda S.

1988-01-01

Demonstrates how three commercial microcomputer software packages--PC-Talk III, Wordstar, and dBase III--were combined to produce an integrated library system at the U.S. Army Concepts Analysis Agency library. The retrospective conversion process is discussed, and the four modules of the system are described: acquisitions/cataloging; online…

BACCardI--a tool for the validation of genomic assemblies, assisting genome finishing and intergenome comparison.

PubMed

Bartels, Daniela; Kespohl, Sebastian; Albaum, Stefan; Drüke, Tanja; Goesmann, Alexander; Herold, Julia; Kaiser, Olaf; Pühler, Alfred; Pfeiffer, Friedhelm; Raddatz, Günter; Stoye, Jens; Meyer, Folker; Schuster, Stephan C

2005-04-01

We provide the graphical tool BACCardI for the construction of virtual clone maps from standard assembler output files or BLAST based sequence comparisons. This new tool has been applied to numerous genome projects to solve various problems including (a) validation of whole genome shotgun assemblies, (b) support for contig ordering in the finishing phase of a genome project, and (c) intergenome comparison between related strains when only one of the strains has been sequenced and a large insert library is available for the other. The BACCardI software can seamlessly interact with various sequence assembly packages. Genomic assemblies generated from sequence information need to be validated by independent methods such as physical maps. The time-consuming task of building physical maps can be circumvented by virtual clone maps derived from read pair information of large insert libraries.

Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

PubMed

Elam, Christopher; Lape, Michael; Deye, Joel; Zultowsky, Jodie; Stanton, David T; Paula, Stefan

2011-05-01

Two screening protocols based on recursive partitioning and computational ligand docking methodologies, respectively, were employed for virtual screens of a compound library with 345,000 entries for novel inhibitors of the enzyme sarco/endoplasmic reticulum calcium ATPase (SERCA), a potential target for cancer chemotherapy. A total of 72 compounds that were predicted to be potential inhibitors of SERCA were tested in bioassays and 17 displayed inhibitory potencies at concentrations below 100 μM. The majority of these inhibitors were composed of two phenyl rings tethered to each other by a short link of one to three atoms. Putative interactions between SERCA and the inhibitors were identified by inspection of docking-predicted poses and some of the structural features required for effective SERCA inhibition were determined by analysis of the classification pattern employed by the recursive partitioning models. Copyright © 2011 Elsevier Masson SAS. All rights reserved.

Rapid access to compound libraries through flow technology: fully automated synthesis of a 3-aminoindolizine library via orthogonal diversification.

PubMed

Lange, Paul P; James, Keith

2012-10-08

A novel methodology for the synthesis of druglike heterocycle libraries has been developed through the use of flow reactor technology. The strategy employs orthogonal modification of a heterocyclic core, which is generated in situ, and was used to construct both a 25-membered library of druglike 3-aminoindolizines, and selected examples of a 100-member virtual library. This general protocol allows a broad range of acylation, alkylation and sulfonamidation reactions to be performed in conjunction with a tandem Sonogashira coupling/cycloisomerization sequence. All three synthetic steps were conducted under full automation in the flow reactor, with no handling or isolation of intermediates, to afford the desired products in good yields. This fully automated, multistep flow approach opens the way to highly efficient generation of druglike heterocyclic systems as part of a lead discovery strategy or within a lead optimization program.

Analysis Systems for Air Force Missions.

DTIC Science & Technology

1987-02-28

satisfying requirements in a cost effective manner. Subroutine libraries were developed for use in the overall systems. These libraries allow for the...anomalies occur or requirements change. A library of HILAT routines has been developed which is used by all processing routines as necessary. Upon...the AIM data were directly applied to the AIRS. Moreover, many of the computer modules in the HILAT library of subroutines have direct application

Canute Rules the Waves?: Hope for E-Library Tools Facing the Challenge of the "Google Generation"

ERIC Educational Resources Information Center

Myhill, Martin

2007-01-01

Purpose: To consider the findings of a recent e-resources survey at the University of Exeter Library in the context of the dominance of web search engines in academia, balanced by the development of e-library tools such as the library OPAC, OpenURL resolvers, metasearch engines, LDAP and proxy servers, and electronic resource management modules.…

Virtual medicinal chemistry: in silico pre-docking functional group transformation for discovery of novel inhibitors of botulinum toxin serotype A light chain.

PubMed

O'Malley, Sean; Sareth, Sina; Jiao, Guan-Sheng; Kim, Seongjin; Thai, April; Cregar-Hernandez, Lynne; McKasson, Linda; Margosiak, Stephen A; Johnson, Alan T

2013-05-01

A novel method for applying high-throughput docking to challenging metalloenzyme targets is described. The method utilizes information-based virtual transformation of library carboxylates to hydroxamic acids prior to docking, followed by compound acquisition, one-pot (two steps) chemical synthesis and in vitro screening. In two experiments targeting the botulinum neurotoxin serotype A metalloprotease light chain, hit rates of 32% and 18% were observed. Copyright © 2013 Elsevier Ltd. All rights reserved.

Using cheminformatics to predict cross reactivity of “designer drugs” to their currently available immunoassays

PubMed Central

2014-01-01

Background A challenge for drug of abuse testing is presented by ‘designer drugs’, compounds typically discovered by modifications of existing clinical drug classes such as amphetamines and cannabinoids. Drug of abuse screening immunoassays directed at amphetamine or methamphetamine only detect a small subset of designer amphetamine-like drugs, and those immunoassays designed for tetrahydrocannabinol metabolites generally do not cross-react with synthetic cannabinoids lacking the classic cannabinoid chemical backbone. This suggests complexity in understanding how to detect and identify whether a patient has taken a molecule of one class or another, impacting clinical care. Methods Cross-reactivity data from immunoassays specifically targeting designer amphetamine-like and synthetic cannabinoid drugs was collected from multiple published sources, and virtual chemical libraries for molecular similarity analysis were built. The virtual library for synthetic cannabinoid analysis contained a total of 169 structures, while the virtual library for amphetamine-type stimulants contained 288 compounds. Two-dimensional (2D) similarity for each test compound was compared to the target molecule of the immunoassay undergoing analysis. Results 2D similarity differentiated between cross-reactive and non-cross-reactive compounds for immunoassays targeting mephedrone/methcathinone, 3,4-methylenedioxypyrovalerone, benzylpiperazine, mephentermine, and synthetic cannabinoids. Conclusions In this study, we applied 2D molecular similarity analysis to the designer amphetamine-type stimulants and synthetic cannabinoids. Similarity calculations can be used to more efficiently decide which drugs and metabolites should be tested in cross-reactivity studies, as well as to design experiments and potentially predict antigens that would lead to immunoassays with cross reactivity for a broader array of designer drugs. PMID:24851137

The Benefits and Barriers of Using Virtual Worlds to Engage Healthcare Professionals on Distance Learning Programmes

ERIC Educational Resources Information Center

Hack, Catherine Jane

2016-01-01

Using the delivery of a large postgraduate distance learning module in bioethics to health professionals as an illustrative example, the type of learning activity that could be enhanced through delivery in an immersive virtual world (IVW) was explored. Several activities were repurposed from the "traditional" virtual learning environment…

Novel graphical environment for virtual and real-world operations of tracked mobile manipulators

NASA Astrophysics Data System (ADS)

Chen, ChuXin; Trivedi, Mohan M.; Azam, Mir; Lassiter, Nils T.

1993-08-01

A simulation, animation, visualization and interactive control (SAVIC) environment has been developed for the design and operation of an integrated mobile manipulator system. This unique system possesses the abilities for (1) multi-sensor simulation, (2) kinematics and locomotion animation, (3) dynamic motion and manipulation animation, (4) transformation between real and virtual modes within the same graphics system, (5) ease in exchanging software modules and hardware devices between real and virtual world operations, and (6) interfacing with a real robotic system. This paper describes a working system and illustrates the concepts by presenting the simulation, animation and control methodologies for a unique mobile robot with articulated tracks, a manipulator, and sensory modules.

OR fire virtual training simulator: design and face validity.

PubMed

Dorozhkin, Denis; Olasky, Jaisa; Jones, Daniel B; Schwaitzberg, Steven D; Jones, Stephanie B; Cao, Caroline G L; Molina, Marcos; Henriques, Steven; Wang, Jinling; Flinn, Jeff; De, Suvranu

2017-09-01

The Virtual Electrosurgical Skill Trainer is a tool for training surgeons the safe operation of electrosurgery tools in both open and minimally invasive surgery. This training includes a dedicated team-training module that focuses on operating room (OR) fire prevention and response. The module was developed to allow trainees, practicing surgeons, anesthesiologist, and nurses to interact with a virtual OR environment, which includes anesthesia apparatus, electrosurgical equipment, a virtual patient, and a fire extinguisher. Wearing a head-mounted display, participants must correctly identify the "fire triangle" elements and then successfully contain an OR fire. Within these virtual reality scenarios, trainees learn to react appropriately to the simulated emergency. A study targeted at establishing the face validity of the virtual OR fire simulator was undertaken at the 2015 Society of American Gastrointestinal and Endoscopic Surgeons conference. Forty-nine subjects with varying experience participated in this Institutional Review Board-approved study. The subjects were asked to complete the OR fire training/prevention sequence in the VEST simulator. Subjects were then asked to answer a subjective preference questionnaire consisting of sixteen questions, focused on the usefulness and fidelity of the simulator. On a 5-point scale, 12 of 13 questions were rated at a mean of 3 or greater (92%). Five questions were rated above 4 (38%), particularly those focusing on the simulator effectiveness and its usefulness in OR fire safety training. A total of 33 of the 49 participants (67%) chose the virtual OR fire trainer over the traditional training methods such as a textbook or an animal model. Training for OR fire emergencies in fully immersive VR environments, such as the VEST trainer, may be the ideal training modality. The face validity of the OR fire training module of the VEST simulator was successfully established on many aspects of the simulation.

Measuring modules for the research of compensators of reactive power with voltage stabilization in MATLAB

NASA Astrophysics Data System (ADS)

Vlasayevsky, Stanislav; Klimash, Stepan; Klimash, Vladimir

2017-10-01

A set of mathematical modules was developed for evaluation the energy performance in the research of electrical systems and complexes in the MatLab. In the electrotechnical library SimPowerSystems of the MatLab software, there are no measuring modules of energy coefficients characterizing the quality of electricity and the energy efficiency of electrical apparatus. Modules are designed to calculate energy coefficients characterizing the quality of electricity (current distortion and voltage distortion) and energy efficiency indicators (power factor and efficiency) are presented. There are described the methods and principles of building the modules. The detailed schemes of modules built on the elements of the Simulink Library are presented, in this connection, these modules are compatible with mathematical models of electrical systems and complexes in the MatLab. Also there are presented the results of the testing of the developed modules and the results of their verification on the schemes that have analytical expressions of energy indicators.

78 FR 36765 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-19

... & OA re Up-to-Congestion & Virtual Transactions to be effective 8/9/2013. Filed Date: 6/10/13.... Comments Due: 5 p.m. ET 6/17/13. The filings are accessible in the Commission's eLibrary system by clicking...

Library design practices for success in lead generation with small molecule libraries.

PubMed

Goodnow, R A; Guba, W; Haap, W

2003-11-01

The generation of novel structures amenable to rapid and efficient lead optimization comprises an emerging strategy for success in modern drug discovery. Small molecule libraries of sufficient size and diversity to increase the chances of discovery of novel structures make the high throughput synthesis approach the method of choice for lead generation. Despite an industry trend for smaller, more focused libraries, the need to generate novel lead structures makes larger libraries a necessary strategy. For libraries of a several thousand or more members, solid phase synthesis approaches are the most suitable. While the technology and chemistry necessary for small molecule library synthesis continue to advance, success in lead generation requires rigorous consideration in the library design process to ensure the synthesis of molecules possessing the proper characteristics for subsequent lead optimization. Without proper selection of library templates and building blocks, solid phase synthesis methods often generate molecules which are too heavy, too lipophilic and too complex to be useful for lead optimization. The appropriate filtering of virtual library designs with multiple computational tools allows the generation of information-rich libraries within a drug-like molecular property space. An understanding of the hit-to-lead process provides a practical guide to molecular design characteristics. Examples of leads generated from library approaches also provide a benchmarking of successes as well as aspects for continued development of library design practices.

The Use of BookshelF in Teaching Students of Information and Library Management.

ERIC Educational Resources Information Center

Rowley, Jenny E.; Fisher, Shelagh

1992-01-01

Describes how BookshelF software, a library management system, has been integrated into the library and information management curriculum at Manchester Polytechnic (England), and discusses the learning objectives that have been achieved. The use of BookshelF modules for ordering, circulation control, cataloging, OPAC (online public access…

Open Source Solutions for Libraries: ABCD vs Koha

ERIC Educational Resources Information Center

Macan, Bojan; Fernandez, Gladys Vanesa; Stojanovski, Jadranka

2013-01-01

Purpose: The purpose of this study is to present an overview of the two open source (OS) integrated library systems (ILS)--Koha and ABCD (ISIS family), to compare their "next-generation library catalog" functionalities, and to give comparison of other important features available through ILS modules. Design/methodology/approach: Two open source…

Textbooks on the Move: Transforming a Textbook Collection

ERIC Educational Resources Information Center

Ferguson, Yoko Inagi; Riley-Reid, Trevar

2017-01-01

Recently, The City College of New York (CCNY) libraries engaged in a collaborative project to transfer the bibliographic holdings for textbook course reserves to a new module when their integrated library systems, the Ex Libris Aleph Integrated Library System, underwent a system upgrade. In this article, the Chief of Circulation and the Chief of…

Exploring system interconnection architectures with VIPACES: from direct connections to NOCs

NASA Astrophysics Data System (ADS)

Sánchez-Peña, Armando; Carballo, Pedro P.; Núñez, Antonio

2007-05-01

This paper presents a simple environment for the verification of AMBA 3 AXI systems in Verification IP (VIP) production called VIPACES (Verification Interface Primitives for the development of AXI Compliant Elements and Systems). These primitives are presented as a not compiled library written in SystemC where interfaces are the core of the library. The definition of interfaces instead of generic modules let the user construct custom modules improving the resources spent during the verification phase as well as easily adapting his modules to the AMBA 3 AXI protocol. This topic is the main discussion in the VIPACES library. The paper focuses on comparing and contrasting the main interconnection schemes for AMBA 3 AXI as modeled by VIPACES. For assessing these results we propose a validation scenario with a particular architecture belonging to the domain of MPEG4 video decoding, which is compound by an AXI bus connecting an IDCT and other processing resources.

Design and implementation of a 3D ocean virtual reality and visualization engine

NASA Astrophysics Data System (ADS)

Chen, Ge; Li, Bo; Tian, Fenglin; Ji, Pengbo; Li, Wenqing

2012-12-01

In this study, a 3D virtual reality and visualization engine for rendering the ocean, named VV-Ocean, is designed for marine applications. The design goals of VV-Ocean aim at high fidelity simulation of ocean environment, visualization of massive and multidimensional marine data, and imitation of marine lives. VV-Ocean is composed of five modules, i.e. memory management module, resources management module, scene management module, rendering process management module and interaction management module. There are three core functions in VV-Ocean: reconstructing vivid virtual ocean scenes, visualizing real data dynamically in real time, imitating and simulating marine lives intuitively. Based on VV-Ocean, we establish a sea-land integration platform which can reproduce drifting and diffusion processes of oil spilling from sea bottom to surface. Environment factors such as ocean current and wind field have been considered in this simulation. On this platform oil spilling process can be abstracted as movements of abundant oil particles. The result shows that oil particles blend with water well and the platform meets the requirement for real-time and interactive rendering. VV-Ocean can be widely used in ocean applications such as demonstrating marine operations, facilitating maritime communications, developing ocean games, reducing marine hazards, forecasting the weather over oceans, serving marine tourism, and so on. Finally, further technological improvements of VV-Ocean are discussed.

Children With Medical Complexity: A Web-Based Multimedia Curriculum Assessing Pediatric Residents Across North America.

PubMed

Shah, Neha H; Bhansali, Priti; Barber, Aisha; Toner, Keri; Kahn, Michael; MacLean, Meaghan; Kadden, Micah; Sestokas, Jeffrey; Agrawal, Dewesh

No standardized curricula exist for training residents in the special needs of children with medical complexity. We assessed resident satisfaction, knowledge, and behavior after implementing a novel online curriculum composed of multimedia modules on care of children with medical complexity utilizing virtual simulation. We conducted a randomized controlled trial of residents across North America. A Web-based curriculum of 6 self-paced, interactive, multimedia modules was developed. Readings for each topic served as the control curriculum. Residents were randomized to 1 of 2 groups, each completing 3 modules and 3 sets of readings that were mutually exclusive. Outcomes included resident scores on satisfaction, knowledge-based assessments, and virtual simulation activities. Four hundred forty-two residents from 56 training programs enrolled in the curriculum, 229 of whom completed it and were included in the analysis. Subjects were more likely to report comfort with all topics if they reviewed modules compared to readings (P ≤ .01 for all 6 topics). Posttest knowledge scores were significantly higher than pretest scores overall (mean increase in score 17.7%; 95% confidence interval 16.0, 19.4), and the mean pre-post score increase for modules was significantly higher than readings (20.9% vs 15.4%, P < .001). Mean scores on the verbal handoff virtual simulation increased by 1.1 points (95% confidence interval 0.2, 2.0, P = .02). There were no significant differences found in pre-post performance for the device-related emergency virtual simulation. There was high satisfaction, significant knowledge acquisition, and specific behavior change after participating in this innovative online curriculum. This is the first multisite, randomized trial assessing satisfaction, knowledge impact, and behavior change in a virtually simulated environment with pediatric trainees. Copyright © 2017 Academic Pediatric Association. Published by Elsevier Inc. All rights reserved.

Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators

PubMed Central

Moeder, Katelyn E.; Ho, Chris M. W.; Zimmerman, Maxwell I.; Frederick, Thomas E.; Bowman, Gregory R.

2017-01-01

Allosteric drugs, which bind to proteins in regions other than their main ligand-binding or active sites, make it possible to target proteins considered “undruggable” and to develop new therapies that circumvent existing resistance. Despite growing interest in allosteric drug discovery, rational design is limited by a lack of sufficient structural information about alternative binding sites in proteins. Previously, we used Markov State Models (MSMs) to identify such “cryptic pockets,” and here we describe a method for identifying compounds that bind in these cryptic pockets and modulate enzyme activity. Experimental tests validate our approach by revealing both an inhibitor and two activators of TEM β-lactamase (TEM). To identify hits, a library of compounds is first virtually screened against either the crystal structure of a known cryptic pocket or an ensemble of structures containing the same cryptic pocket that is extracted from an MSM. Hit compounds are then screened experimentally and characterized kinetically in individual assays. We identify three hits, one inhibitor and two activators, demonstrating that screening for binding to allosteric sites can result in both positive and negative modulation. The hit compounds have modest effects on TEM activity, but all have higher affinities than previously identified inhibitors, which bind the same cryptic pocket but were found, by chance, via a computational screen targeting the active site. Site-directed mutagenesis of key contact residues predicted by the docking models is used to confirm that the compounds bind in the cryptic pocket as intended. Because hit compounds are identified from docking against both the crystal structure and structures from the MSM, this platform should prove suitable for many proteins, particularly targets whose crystal structures lack obvious druggable pockets, and for identifying both inhibitory and activating small-molecule modulators. PMID:28570708

Internet-based distributed collaborative environment for engineering education and design

NASA Astrophysics Data System (ADS)

Sun, Qiuli

2001-07-01

This research investigates the use of the Internet for engineering education, design, and analysis through the presentation of a Virtual City environment. The main focus of this research was to provide an infrastructure for engineering education, test the concept of distributed collaborative design and analysis, develop and implement the Virtual City environment, and assess the environment's effectiveness in the real world. A three-tier architecture was adopted in the development of the prototype, which contains an online database server, a Web server as well as multi-user servers, and client browsers. The environment is composed of five components, a 3D virtual world, multiple Internet-based multimedia modules, an online database, a collaborative geometric modeling module, and a collaborative analysis module. The environment was designed using multiple Intenet-based technologies, such as Shockwave, Java, Java 3D, VRML, Perl, ASP, SQL, and a database. These various technologies together formed the basis of the environment and were programmed to communicate smoothly with each other. Three assessments were conducted over a period of three semesters. The Virtual City is open to the public at www.vcity.ou.edu. The online database was designed to manage the changeable data related to the environment. The virtual world was used to implement 3D visualization and tie the multimedia modules together. Students are allowed to build segments of the 3D virtual world upon completion of appropriate undergraduate courses in civil engineering. The end result is a complete virtual world that contains designs from all of their coursework and is viewable on the Internet. The environment is a content-rich educational system, which can be used to teach multiple engineering topics with the help of 3D visualization, animations, and simulations. The concept of collaborative design and analysis using the Internet was investigated and implemented. Geographically dispersed users can build the same geometric model simultaneously over the Internet and communicate with each other through a chat room. They can also conduct finite element analysis collaboratively on the same object over the Internet. They can mesh the same object, apply and edit the same boundary conditions and forces, obtain the same analysis results, and then discuss the results through the Internet.

DEC Ada interface to Screen Management Guidelines (SMG)

NASA Technical Reports Server (NTRS)

Laomanachareon, Somsak; Lekkos, Anthony A.

1986-01-01

DEC's Screen Management Guidelines are the Run-Time Library procedures that perform terminal-independent screen management functions on a VT100-class terminal. These procedures assist users in designing, composing, and keeping track of complex images on a video screen. There are three fundamental elements in the screen management model: the pasteboard, the virtual display, and the virtual keyboard. The pasteboard is like a two-dimensional area on which a user places and manipulates screen displays. The virtual display is a rectangular part of the terminal screen to which a program writes data with procedure calls. The virtual keyboard is a logical structure for input operation associated with a physical keyboard. SMG can be called by all major VAX languages. Through Ada, predefined language Pragmas are used to interface with SMG. These features and elements of SMG are briefly discussed.

Demonstration of three gorges archaeological relics based on 3D-visualization technology

NASA Astrophysics Data System (ADS)

Xu, Wenli

2015-12-01

This paper mainly focuses on the digital demonstration of three gorges archeological relics to exhibit the achievements of the protective measures. A novel and effective method based on 3D-visualization technology, which includes large-scaled landscape reconstruction, virtual studio, and virtual panoramic roaming, etc, is proposed to create a digitized interactive demonstration system. The method contains three stages: pre-processing, 3D modeling and integration. Firstly, abundant archaeological information is classified according to its history and geographical information. Secondly, build up a 3D-model library with the technology of digital images processing and 3D modeling. Thirdly, use virtual reality technology to display the archaeological scenes and cultural relics vividly and realistically. The present work promotes the application of virtual reality to digital projects and enriches the content of digital archaeology.

The Design of a Chemical Virtual Instrument Based on LabVIEW for Determining Temperatures and Pressures.

PubMed

Wang, Wen-Bin; Li, Jang-Yuan; Wu, Qi-Jun

2007-01-01

A LabVIEW-based self-constructed chemical virtual instrument (VI) has been developed for determining temperatures and pressures. It can be put together easily and quickly by selecting hardware modules, such as the PCI-DAQ card or serial port method, different kinds of sensors, signal-conditioning circuits or finished chemical instruments, and software modules such as data acquisition, saving, proceeding. The VI system provides individual and extremely flexible solutions for automatic measurements in physical chemistry research.

The Design of a Chemical Virtual Instrument Based on LabVIEW for Determining Temperatures and Pressures

PubMed Central

Wang, Wen-Bin; Li, Jang-Yuan; Wu, Qi-Jun

2007-01-01

A LabVIEW-based self-constructed chemical virtual instrument (VI) has been developed for determining temperatures and pressures. It can be put together easily and quickly by selecting hardware modules, such as the PCI-DAQ card or serial port method, different kinds of sensors, signal-conditioning circuits or finished chemical instruments, and software modules such as data acquisition, saving, proceeding. The VI system provides individual and extremely flexible solutions for automatic measurements in physical chemistry research. PMID:17671611

Bringing Grand Canyon to the College Campus: Assessment of Student Learning in the Geosciences Through Virtual Field Trip Games for Mobile Smart-Devices

NASA Astrophysics Data System (ADS)

Bursztyn, N.; Walker, A.; Shelton, B.; Pederson, J. L.

2015-12-01

Geoscience educators have long considered field trips to be the most effective way of attracting students into the discipline. A solution for bringing student-driven, engaging, kinesthetic field experiences to a broader audience lies in ongoing advances in mobile-communication technology. This NSF-TUES funded project developed three virtual field trip experiences for smartphones and tablets (on geologic time, geologic structures, and hydrologic processes), and then tested their performance in terms of student interest in geoscience as well as gains in learning. The virtual field trips utilize the GPS capabilities of smartphones and tablets, requiring the students to navigate outdoors in the real world while following a map on their smart device. This research, involving 873 students at five different college campuses, used analysis of covariance (ANCOVA) and multiple regression for statistical methods. Gains in learning across all participants are minor, and not statistically different between intervention and control groups. Predictors of gains in content comprehension for all three modules are the students' initial interest in the subject and their base level knowledge. For the Geologic Time and Structures modules, being a STEM major is an important predictor of student success. Most pertinent for this research, for Geologic Time and Hydrologic Processes, gains in student learning can be predicted by having completed those particular virtual field trips. Gender and race had no statistical impact, indicating that the virtual field trip modules have broad reach across student demographics. In related research, these modules have been shown to increase student interest in the geosciences more definitively than the learning gains here. Thus, future work should focus on improving the educational impact of mobile-device field trips, as their eventual incorporation into curricula is inevitable.

Virtual screening filters for the design of type II p38 MAP kinase inhibitors: a fragment based library generation approach.

PubMed

Badrinarayan, Preethi; Sastry, G Narahari

2012-04-01

In this work, we introduce the development and application of a three-step scoring and filtering procedure for the design of type II p38 MAP kinase leads using allosteric fragments extracted from virtual screening hits. The design of the virtual screening filters is based on a thorough evaluation of docking methods, DFG-loop conformation, binding interactions and chemotype specificity of the 138 p38 MAP kinase inhibitors from Protein Data Bank bound to DFG-in and DFG-out conformations using Glide, GOLD and CDOCKER. A 40 ns molecular dynamics simulation with the apo, type I with DFG-in and type II with DFG-out forms was carried out to delineate the effects of structural variations on inhibitor binding. The designed docking-score and sub-structure filters were first tested on a dataset of 249 potent p38 MAP kinase inhibitors from seven diverse series and 18,842 kinase inhibitors from PDB, to gauge their capacity to discriminate between kinase and non-kinase inhibitors and likewise to selectively filter-in target-specific inhibitors. The designed filters were then applied in the virtual screening of a database of ten million (10⁷) compounds resulting in the identification of 100 hits. Based on their binding modes, 98 allosteric fragments were extracted from the hits and a fragment library was generated. New type II p38 MAP kinase leads were designed by tailoring the existing type I ATP site binders with allosteric fragments using a common urea linker. Target specific virtual screening filters can thus be easily developed for other kinases based on this strategy to retrieve target selective compounds. Copyright © 2012 Elsevier Inc. All rights reserved.

Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge

PubMed Central

Gallicchio, Emilio; Deng, Nanjie; He, Peng; Wickstrom, Lauren; Perryman, Alexander L.; Santiago, Daniel N.; Forli, Stefano; Olson, Arthur J.; Levy, Ronald M.

2014-01-01

As part of the SAMPL4 blind challenge, filtered AutoDock Vina ligand docking predictions and large scale binding energy distribution analysis method binding free energy calculations have been applied to the virtual screening of a focused library of candidate binders to the LEDGF site of the HIV integrase protein. The computational protocol leveraged docking and high level atomistic models to improve enrichment. The enrichment factor of our blind predictions ranked best among all of the computational submissions, and second best overall. This work represents to our knowledge the first example of the application of an all-atom physics-based binding free energy model to large scale virtual screening. A total of 285 parallel Hamiltonian replica exchange molecular dynamics absolute protein-ligand binding free energy simulations were conducted starting from docked poses. The setup of the simulations was fully automated, calculations were distributed on multiple computing resources and were completed in a 6-weeks period. The accuracy of the docked poses and the inclusion of intramolecular strain and entropic losses in the binding free energy estimates were the major factors behind the success of the method. Lack of sufficient time and computing resources to investigate additional protonation states of the ligands was a major cause of mispredictions. The experiment demonstrated the applicability of binding free energy modeling to improve hit rates in challenging virtual screening of focused ligand libraries during lead optimization. PMID:24504704

Upper extremity rehabilitation of stroke: facilitation of corticospinal excitability using virtual mirror paradigm.

PubMed

Kang, Youn Joo; Park, Hae Kyung; Kim, Hyun Jung; Lim, Taeo; Ku, Jeonghun; Cho, Sangwoo; Kim, Sun I; Park, Eun Sook

2012-10-04

Several experimental studies in stroke patients suggest that mirror therapy and various virtual reality programs facilitate motor rehabilitation. However, the underlying mechanisms for these therapeutic effects have not been previously described. We attempted to delineate the changes in corticospinal excitability when individuals were asked to exercise their upper extremity using a real mirror and virtual mirror. Moreover, we attempted to delineate the role of visual modulation within the virtual environment that affected corticospinal excitability in healthy subjects and stroke patients. A total of 18 healthy subjects and 18 hemiplegic patients were enrolled into the study. Motor evoked potential (MEP)s from transcranial magnetic stimulation were recorded in the flexor carpi radialis of the non-dominant or affected upper extremity using three different conditions: (A) relaxation; (B) real mirror; and (C) virtual mirror. Moreover, we compared the MEPs from the virtual mirror paradigm using continuous visual feedback or intermittent visual feedback. The rates of amplitude increment and latency decrement of MEPs in both groups were higher during the virtual mirror task than during the real mirror. In healthy subjects and stroke patients, the virtual mirror task with intermittent visual feedback significantly facilitated corticospinal excitability of MEPs compared with continuous visual feedback. Corticospinal excitability was facilitated to a greater extent in the virtual mirror paradigm than in the real mirror and in intermittent visual feedback than in the continuous visual feedback, in both groups. This provides neurophysiological evidence supporting the application of the virtual mirror paradigm using various visual modulation technologies to upper extremity rehabilitation in stroke patients.

Upper extremity rehabilitation of stroke: Facilitation of corticospinal excitability using virtual mirror paradigm

PubMed Central

2012-01-01

Background Several experimental studies in stroke patients suggest that mirror therapy and various virtual reality programs facilitate motor rehabilitation. However, the underlying mechanisms for these therapeutic effects have not been previously described. Objectives We attempted to delineate the changes in corticospinal excitability when individuals were asked to exercise their upper extremity using a real mirror and virtual mirror. Moreover, we attempted to delineate the role of visual modulation within the virtual environment that affected corticospinal excitability in healthy subjects and stroke patients. Methods A total of 18 healthy subjects and 18 hemiplegic patients were enrolled into the study. Motor evoked potential (MEP)s from transcranial magnetic stimulation were recorded in the flexor carpi radialis of the non-dominant or affected upper extremity using three different conditions: (A) relaxation; (B) real mirror; and (C) virtual mirror. Moreover, we compared the MEPs from the virtual mirror paradigm using continuous visual feedback or intermittent visual feedback. Results The rates of amplitude increment and latency decrement of MEPs in both groups were higher during the virtual mirror task than during the real mirror. In healthy subjects and stroke patients, the virtual mirror task with intermittent visual feedback significantly facilitated corticospinal excitability of MEPs compared with continuous visual feedback. Conclusion Corticospinal excitability was facilitated to a greater extent in the virtual mirror paradigm than in the real mirror and in intermittent visual feedback than in the continuous visual feedback, in both groups. This provides neurophysiological evidence supporting the application of the virtual mirror paradigm using various visual modulation technologies to upper extremity rehabilitation in stroke patients. PMID:23035951

Incorporating Virtual Reactions into a Logic-based Ligand-based Virtual Screening Method to Discover New Leads

PubMed Central

Reynolds, Christopher R; Muggleton, Stephen H; Sternberg, Michael J E

2015-01-01

The use of virtual screening has become increasingly central to the drug development pipeline, with ligand-based virtual screening used to screen databases of compounds to predict their bioactivity against a target. These databases can only represent a small fraction of chemical space, and this paper describes a method of exploring synthetic space by applying virtual reactions to promising compounds within a database, and generating focussed libraries of predicted derivatives. A ligand-based virtual screening tool Investigational Novel Drug Discovery by Example (INDDEx) is used as the basis for a system of virtual reactions. The use of virtual reactions is estimated to open up a potential space of 1.21×1012 potential molecules. A de novo design algorithm known as Partial Logical-Rule Reactant Selection (PLoRRS) is introduced and incorporated into the INDDEx methodology. PLoRRS uses logical rules from the INDDEx model to select reactants for the de novo generation of potentially active products. The PLoRRS method is found to increase significantly the likelihood of retrieving molecules similar to known actives with a p-value of 0.016. Case studies demonstrate that the virtual reactions produce molecules highly similar to known actives, including known blockbuster drugs. PMID:26583052

A virtual phantom library for the quantification of deformable image registration uncertainties in patients with cancers of the head and neck.

PubMed

Pukala, Jason; Meeks, Sanford L; Staton, Robert J; Bova, Frank J; Mañon, Rafael R; Langen, Katja M

2013-11-01

Deformable image registration (DIR) is being used increasingly in various clinical applications. However, the underlying uncertainties of DIR are not well-understood and a comprehensive methodology has not been developed for assessing a range of interfraction anatomic changes during head and neck cancer radiotherapy. This study describes the development of a library of clinically relevant virtual phantoms for the purpose of aiding clinicians in the QA of DIR software. These phantoms will also be available to the community for the independent study and comparison of other DIR algorithms and processes. Each phantom was derived from a pair of kVCT volumetric image sets. The first images were acquired of head and neck cancer patients prior to the start-of-treatment and the second were acquired near the end-of-treatment. A research algorithm was used to autosegment and deform the start-of-treatment (SOT) images according to a biomechanical model. This algorithm allowed the user to adjust the head position, mandible position, and weight loss in the neck region of the SOT images to resemble the end-of-treatment (EOT) images. A human-guided thin-plate splines algorithm was then used to iteratively apply further deformations to the images with the objective of matching the EOT anatomy as closely as possible. The deformations from each algorithm were combined into a single deformation vector field (DVF) and a simulated end-of-treatment (SEOT) image dataset was generated from that DVF. Artificial noise was added to the SEOT images and these images, along with the original SOT images, created a virtual phantom where the underlying "ground-truth" DVF is known. Images from ten patients were deformed in this fashion to create ten clinically relevant virtual phantoms. The virtual phantoms were evaluated to identify unrealistic DVFs using the normalized cross correlation (NCC) and the determinant of the Jacobian matrix. A commercial deformation algorithm was applied to the virtual phantoms to show how they may be used to generate estimates of DIR uncertainty. The NCC showed that the simulated phantom images had greater similarity to the actual EOT images than the images from which they were derived, supporting the clinical relevance of the synthetic deformation maps. Calculation of the Jacobian of the "ground-truth" DVFs resulted in only positive values. As an example, mean error statistics are presented for all phantoms for the brainstem, cord, mandible, left parotid, and right parotid. It is essential that DIR algorithms be evaluated using a range of possible clinical scenarios for each treatment site. This work introduces a library of virtual phantoms intended to resemble real cases for interfraction head and neck DIR that may be used to estimate and compare the uncertainty of any DIR algorithm.

Optimizing ROOT’s Performance Using C++ Modules

NASA Astrophysics Data System (ADS)

Vassilev, Vassil

2017-10-01

ROOT comes with a C++ compliant interpreter cling. Cling needs to understand the content of the libraries in order to interact with them. Exposing the full shared library descriptors to the interpreter at runtime translates into increased memory footprint. ROOT’s exploratory programming concepts allow implicit and explicit runtime shared library loading. It requires the interpreter to load the library descriptor. Re-parsing of descriptors’ content has a noticeable effect on the runtime performance. Present state-of-art lazy parsing technique brings the runtime performance to reasonable levels but proves to be fragile and can introduce correctness issues. An elegant solution is to load information from the descriptor lazily and in a non-recursive way. The LLVM community advances its C++ Modules technology providing an io-efficient, on-disk representation capable to reduce build times and peak memory usage. The feature is standardized as a C++ technical specification. C++ Modules are a flexible concept, which can be employed to match CMS and other experiments’ requirement for ROOT: to optimize both runtime memory usage and performance. Cling technically “inherits” the feature, however tweaking it to ROOT scale and beyond is a complex endeavor. The paper discusses the status of the C++ Modules in the context of ROOT, supported by few preliminary performance results. It shows a step-by-step migration plan and describes potential challenges which could appear.

A Media-Assisted Library Instruction Orientation Program Report.

ERIC Educational Resources Information Center

Olevnik, Peter P.

This three phase library program was presented to some two hundred students enrolled in sections of an English composition course taught at the State University of New York College at Brockport. Offered each fall and spring semester since the spring of 1975, the library program has been incorporated into a nine module, self-guided course, taught…

Virtual- and real-world operation of mobile robotic manipulators: integrated simulation, visualization, and control environment

NASA Astrophysics Data System (ADS)

Chen, ChuXin; Trivedi, Mohan M.

1992-03-01

This research is focused on enhancing the overall productivity of an integrated human-robot system. A simulation, animation, visualization, and interactive control (SAVIC) environment has been developed for the design and operation of an integrated robotic manipulator system. This unique system possesses the abilities for multisensor simulation, kinematics and locomotion animation, dynamic motion and manipulation animation, transformation between real and virtual modes within the same graphics system, ease in exchanging software modules and hardware devices between real and virtual world operations, and interfacing with a real robotic system. This paper describes a working system and illustrates the concepts by presenting the simulation, animation, and control methodologies for a unique mobile robot with articulated tracks, a manipulator, and sensory modules.

A Blended Learning Experience for Teaching Microbiology

PubMed Central

Sancho, Pilar; Corral, Ricardo; Rivas, Teresa; González, María Jesús; Chordi, Andrés

2006-01-01

Objectives To create a virtual laboratory system in which experimental science students could learn required skills and competencies while overcoming such challenges as time limitations, high cost of resources, and lack of feedback often encountered in a traditional laboratory setting. Design A blended learning experience that combines traditional practices and e-learning was implemented to teach microbiological methods to pharmacy students. Virtual laboratory modules were used to acquire nonmanual skills such as visual and mental skills for data reading, calculations, interpretation of the results, deployment of an analytical protocol, and reporting results. Assesment Learning achievement was evaluated by questions about microbiology case-based problems. Students' perceptions were obtained by assessment questionnaire. Conclusion By combining different learning scenarios, the acquisition of the necessary but otherwise unreachable competences was achieved. Students achieved similar grades in the modules whose initiation was in the virtual laboratory to the grades they achieved with the modules whose complete or partial initiation took place in the laboratory. The knowledge acquired was satisfactory and the participants valued the experience. PMID:17149449

Virtual Habitat -a Dynamic Simulation of Closed Life Support Systems -Overall Status and Outlook

NASA Astrophysics Data System (ADS)

Zhukov, Anton; Schnaitmann, Jonas; Mecsaci, Ahmad; Bickel, Thomas; Markus Czupalla, M. Sc.

In order to optimize Life Support Systems (LSS) on a system level, stability questions and closure grade must be investigated. To do so the exploration group of the Technical University of Munich (TUM) is developing the "Virtual Habitat" (V-HAB) dynamic LSS simulation software. The main advantages of the dynamic simulation of LSS within V-HAB are the possibilities to compose different LSS configurations from the LSS subsystems and conduct dynamic simulation of it to test its stability in different mission scenarios inclusive emergency events and define the closure grade of the LSS. Additional the optimization of LSS based on different criteria will be possible. The Virtual Habitat simulation tool consists of four main modules: • Closed Environment Module (CEM) -monitoring of compounds in a closed environment • Crew Module (CM) -dynamic human simulation • P/C Systems Module (PCSM) -dynamic P/C subsystems • Plant Module (PM) -dynamic plant simulation Since the first idea and version, the V-HAB simulation has been significantly updated increasing its capabilities and maturity significantly. The updates which shall be introduced concern all modules of V-HAB. In particular: Significant progress has been made in development of the human model. In addition to the exist-ing human sub-models three newly developed ones (thermal regulation, digestion and schedule controller) have been introduced and shall be presented. Regarding the Plant Module a wheat plant model has been integrated in the V-HAB and is being correlated against test data. Ad-ditionally a first version of the algae bioreactor model has been developed and integrated. In terms of the P/C System module, an innovative approach for the P/C subsystem modelling has been developed and applied. The capabilities and features of the improved V-HAB models and the overall functionality of the V-HAB are demonstrated in form of meaningful test cases. In addition to the presentation of the results, the correlation strategy for the Virtual Habitat simulation shall be introduced assessing the models current confidence level and giving an outlook on the future correlation strategy.

Automated generation of virtual scenarios in driving simulator from highway design data.

DOT National Transportation Integrated Search

2010-09-01

In 2008, the Texas Transportation Institute (TTI) began using a desktop driving simulator made by Realtime : Technologies, Inc. This system comes with a library of different roadway segment types that can be pieced : together to create driving scenar...

The Case for Place

ERIC Educational Resources Information Center

Thomas, Lisa Carlucci

2012-01-01

Bookstores, record stores, libraries, Facebook: these places--both physical and virtual--demonstrate an established and essential purpose as centers of community, expertise, convenience, immediacy, and respect. Yet as digital, mobile, and social shifts continue to transform culture and interactions, these spaces and places transform, too.…

Performance evaluation of structure based and ligand based virtual screening methods on ten selected anti-cancer targets.

PubMed

Ramasamy, Thilagavathi; Selvam, Chelliah

2015-10-15

Virtual screening has become an important tool in drug discovery process. Structure based and ligand based approaches are generally used in virtual screening process. To date, several benchmark sets for evaluating the performance of the virtual screening tool are available. In this study, our aim is to compare the performance of both structure based and ligand based virtual screening methods. Ten anti-cancer targets and their corresponding benchmark sets from 'Demanding Evaluation Kits for Objective In silico Screening' (DEKOIS) library were selected. X-ray crystal structures of protein-ligand complexes were selected based on their resolution. Openeye tools such as FRED, vROCS were used and the results were carefully analyzed. At EF1%, vROCS produced better results but at EF5% and EF10%, both FRED and ROCS produced almost similar results. It was noticed that the enrichment factor values were decreased while going from EF1% to EF5% and EF10% in many cases. Published by Elsevier Ltd.

Virtual-reality-based educational laboratories in fiber optic engineering

NASA Astrophysics Data System (ADS)

Hayes, Dana; Turczynski, Craig; Rice, Jonny; Kozhevnikov, Michael

2014-07-01

Researchers and educators have observed great potential in virtual reality (VR) technology as an educational tool due to its ability to engage and spark interest in students, thus providing them with a deeper form of knowledge about a subject. The focus of this project is to develop an interactive VR educational module, Laser Diode Characteristics and Coupling to Fibers, to integrate into a fiber optics laboratory course. The developed module features a virtual laboratory populated with realistic models of optical devices in which students can set up and perform an optical experiment dealing with laser diode characteristics and fiber coupling. The module contains three increasingly complex levels for students to navigate through, with a short built-in quiz after each level to measure the student's understanding of the subject. Seventeen undergraduate students learned fiber coupling concepts using the designed computer simulation in a non-immersive desktop virtual environment (VE) condition. The analysis of students' responses on the updated pre- and post tests show statistically significant improvement of the scores for the post-test as compared to the pre-test. In addition, the students' survey responses suggest that they found the module very useful and engaging. The conducted study clearly demonstrated the feasibility of the proposed instructional technology for engineering education, where both the model of instruction and the enabling technology are equally important, in providing a better learning environment to improve students' conceptual understanding as compared to other instructional approaches.

Selection of specific interactors from phage display library based on sea lamprey variable lymphocyte receptor sequences.

PubMed

Wezner-Ptasinska, Magdalena; Otlewski, Jacek

2015-12-01

Variable lymphocyte receptors (VLRs) are non-immunoglobulin components of adaptive immunity in jawless vertebrates. These proteins composed of leucine-rich repeat modules offer some advantages over antibodies in target binding and therefore are attractive candidates for biotechnological applications. In this paper we report the design and characterization of a phage display library based on a previously proposed dVLR scaffold containing six LRR modules [Wezner-Ptasinska et al., 2011]. Our library was designed based on a consensus approach in which the randomization scheme reflects the frequencies of amino acids naturally occurring in respective positions responsible for antigen recognition. We demonstrate general applicability of the scaffold by selecting dVLRs specific for lysozyme and S100A7 protein with KD values in the micromolar range. The dVLR library could be used as a convenient alternative to antibodies for effective isolation of high affinity binders.

Health information outreach: a survey of U.S. academic libraries, highlighting a midwestern university's experience.

PubMed

Duhon, Lucy; Jameson, Jodi

2013-06-01

As a result of their involvement in a campus health fair, the authors of this paper became interested in the extent to which other academic libraries were engaged in health information outreach (HIO). The authors present the results of a nationwide survey they conducted in 2010 and share a specific example of HIO at their own institution. The authors conducted an online survey of approximately 1700 U.S. general academic and academic health science libraries with the objective to create a broad picture of HIO activity and its context within patron information-seeking behavior. The survey yielded a 21% response rate. Nearly 55% of all respondents indicated that their libraries did not participate in HIO, while 37% indicated that they did. Other responses yielded information on patron usage patterns concerning health information, specific types of HIO that libraries are involved in, and barriers to library involvement in HIO. As libraries' traditional roles and information delivery methods evolve, librarians must do more to provide services that are relevant and accessible to users. Even as virtual services become more commonplace, librarians involved in HIO should consider also increasing their visibility by collaborating with others on campus. © 2013 The authors. Health Information and Libraries Journal © 2013 Health Libraries Group.

ChemHTPS - A virtual high-throughput screening program suite for the chemical and materials sciences

NASA Astrophysics Data System (ADS)

Afzal, Mohammad Atif Faiz; Evangelista, William; Hachmann, Johannes

The discovery of new compounds, materials, and chemical reactions with exceptional properties is the key for the grand challenges in innovation, energy and sustainability. This process can be dramatically accelerated by means of the virtual high-throughput screening (HTPS) of large-scale candidate libraries. The resulting data can further be used to study the underlying structure-property relationships and thus facilitate rational design capability. This approach has been extensively used for many years in the drug discovery community. However, the lack of openly available virtual HTPS tools is limiting the use of these techniques in various other applications such as photovoltaics, optoelectronics, and catalysis. Thus, we developed ChemHTPS, a general-purpose, comprehensive and user-friendly suite, that will allow users to efficiently perform large in silico modeling studies and high-throughput analyses in these applications. ChemHTPS also includes a massively parallel molecular library generator which offers a multitude of options to customize and restrict the scope of the enumerated chemical space and thus tailor it for the demands of specific applications. To streamline the non-combinatorial exploration of chemical space, we incorporate genetic algorithms into the framework. In addition to implementing smarter algorithms, we also focus on the ease of use, workflow, and code integration to make this technology more accessible to the community.

Ranking targets in structure-based virtual screening of three-dimensional protein libraries: methods and problems.

PubMed

Kellenberger, Esther; Foata, Nicolas; Rognan, Didier

2008-05-01

Structure-based virtual screening is a promising tool to identify putative targets for a specific ligand. Instead of docking multiple ligands into a single protein cavity, a single ligand is docked in a collection of binding sites. In inverse screening, hits are in fact targets which have been prioritized within the pool of best ranked proteins. The target rate depends on specificity and promiscuity in protein-ligand interactions and, to a considerable extent, on the effectiveness of the scoring function, which still is the Achilles' heel of molecular docking. In the present retrospective study, virtual screening of the sc-PDB target library by GOLD docking was carried out for four compounds (biotin, 4-hydroxy-tamoxifen, 6-hydroxy-1,6-dihydropurine ribonucleoside, and methotrexate) of known sc-PDB targets and, several ranking protocols based on GOLD fitness score and topological molecular interaction fingerprint (IFP) comparison were evaluated. For the four investigated ligands, the fusion of GOLD fitness and two IFP scores allowed the recovery of most targets, including the rare proteins which are not readily suitable for statistical analysis, while significantly filtering out most false positive entries. The current survey suggests that selecting a small number of targets (<20) for experimental evaluation is achievable with a pure structure-based approach.

Study on generation and sharing of on-demand global seamless data—Taking MODIS NDVI as an example

NASA Astrophysics Data System (ADS)

Shen, Dayong; Deng, Meixia; Di, Liping; Han, Weiguo; Peng, Chunming; Yagci, Ali Levent; Yu, Genong; Chen, Zeqiang

2013-04-01

By applying advanced Geospatial Data Abstraction Library (GDAL) and BigTIFF technology in a Geographical Information System (GIS) with Service Oriented Architecture (SOA), this study has derived global datasets using tile-based input data and implemented Virtual Web Map Service (VWMS) and Virtual Web Coverage Service (VWCS) to provide software tools for visualization and acquisition of global data. Taking MODIS Normalized Difference Vegetation Index (NDVI) as an example, this study proves the feasibility, efficiency and features of the proposed approach.

Accessing the scientific literature. The reality of virtual scholarship.

PubMed

Birrer, R B; Doherty, M

1997-01-01

The age-honored practice of plowing through the Index Medicus in a good medical library to meander through citations for treasured finds is an anachronism. Today, clinicians have the astonishing capacity to bring to bear existing knowledge almost effortlessly. Virtual scholarship makes available up-to-date medical citations and their abstracts. There can be access around the clock on any topic in the office, at the bedside, or from home. Computerized searches of the medical literature promote directed continuing education and may enhance clinical care of patients.

Gist: A scientific graphics package for Python

DOE Office of Scientific and Technical Information (OSTI.GOV)

Busby, L.E.

1996-05-08

{open_quotes}Gist{close_quotes} is a scientific graphics library written by David H. Munro of Lawrence Livermore National Laboratory (LLNL). It features support for three common graphics output devices: X Windows, (Color) PostScript, and ANSI/ISO Standard Computer Graphics Metafiles (CGM). The library is small (written directly to Xlib), portable, efficient, and full-featured. It produces X versus Y plots with {open_quotes}good{close_quotes} tick marks and tick labels, 2-dimensional quadrilateral mesh plots with contours, vector fields, or pseudo color maps on such meshes, with 3-dimensional plots on the way. The Python Gist module utilizes the new {open_quotes}Numeric{close_quotes} module due to J. Hugunin and others. It ismore » therefore fast and able to handle large datasets. The Gist module includes an X Windows event dispatcher which can be dynamically added (e.g., via importing a dynamically loaded module) to the Python interpreter after a simple two-line modification to the Python core. This makes fast mouse-controlled zoom, pan, and other graphic operations available to the researcher while maintaining the usual Python command-line interface. Munro`s Gist library is already freely available. The Python Gist module is currently under review and is also expected to qualify for unlimited release.« less

The Geoinformatica free and open source software stack

NASA Astrophysics Data System (ADS)

Jolma, A.

2012-04-01

The Geoinformatica free and open source software (FOSS) stack is based mainly on three established FOSS components, namely GDAL, GTK+, and Perl. GDAL provides access to a very large selection of geospatial data formats and data sources, a generic geospatial data model, and a large collection of geospatial analytical and processing functionality. GTK+ and the Cairo graphics library provide generic graphics and graphical user interface capabilities. Perl is a programming language, for which there is a very large set of FOSS modules for a wide range of purposes and which can be used as an integrative tool for building applications. In the Geoinformatica stack, data storages such as FOSS RDBMS PostgreSQL with its geospatial extension PostGIS can be used below the three above mentioned components. The top layer of Geoinformatica consists of a C library and several Perl modules. The C library comprises a general purpose raster algebra library, hydrological terrain analysis functions, and visualization code. The Perl modules define a generic visualized geospatial data layer and subclasses for raster and vector data and graphs. The hydrological terrain functions are already rather old and they suffer for example from the requirement of in-memory rasters. Newer research conducted using the platform include basic geospatial simulation modeling, visualization of ecological data, linking with a Bayesian network engine for spatial risk assessment in coastal areas, and developing standards-based distributed water resources information systems in Internet. The Geoinformatica stack constitutes a platform for geospatial research, which is targeted towards custom analytical tools, prototyping and linking with external libraries. Writing custom analytical tools is supported by the Perl language and the large collection of tools that are available especially in GDAL and Perl modules. Prototyping is supported by the GTK+ library, the GUI tools, and the support for object-oriented programming in Perl. New feature types, geospatial layer classes, and tools as extensions with specific features can be defined, used, and studied. Linking with external libraries is possible using the Perl foreign function interface tools or with generic tools such as Swig. We are interested in implementing and testing linking Geoinformatica with existing or new more specific hydrological FOSS.

Identification of Novel Human Breast Carcinoma (MDA-MB-231) Cell Growth Modulators from a Carbohydrate-Based Diversity Oriented Synthesis Library.

PubMed

Lenci, Elena; Innocenti, Riccardo; Biagioni, Alessio; Menchi, Gloria; Bianchini, Francesca; Trabocchi, Andrea

2016-10-20

The application of a cell-based growth inhibition on a library of skeletally different glycomimetics allowed for the selection of a hexahydro-2 H -furo[3,2- b ][1,4]oxazine compound as candidate inhibitors of MDA-MB-231 cell growth. Subsequent synthesis of analogue compounds and preliminary biological studies validated the selection of a valuable hit compound with a novel polyhydroxylated structure for the modulation of the breast carcinoma cell cycle mechanism.

Hit discovery of 4-amino-N-(4-(3-(trifluoromethyl)phenoxy)pyrimidin-5-yl)benzamide: A novel EGFR inhibitor from a designed small library.

PubMed

Elkamhawy, Ahmed; Paik, Sora; Hassan, Ahmed H E; Lee, Yong Sup; Roh, Eun Joo

2017-12-01

Searching for hit compounds within the huge chemical space resembles the attempt to find a needle in a haystack. Cheminformatics-guided selection of few representative molecules of a rationally designed virtual combinatorial library is a powerful tool to confront this challenge, speed up hit identification and cut off costs. Herein, this approach has been applied to identify hit compounds with novel scaffolds able to inhibit EGFR kinase. From a generated virtual library, six 4-aryloxy-5-aminopyrimidine scaffold-derived compounds were selected, synthesized and evaluated as hit EGFR inhibitors. 4-Aryloxy-5-benzamidopyrimidines inhibited EGFR with IC 50 1.05-5.37 μM. Cell-based assay of the most potent EGFR inhibitor hit (10ac) confirmed its cytotoxicity against different cancerous cells. In spite of no EGFR, HER2 or VEGFR1 inhibition was elicited by 4-aryloxy-5-(thio)ureidopyrimidine derivatives, cell-based evaluation suggested them as antiproliferative hits acting by other mechanism(s). Molecular docking study provided a plausible explanation of incapability of 4-aryloxy-5-(thio)ureidopyrimidines to inhibit EGFR and suggested a reasonable binding mode of 4-aryloxy-5-benzamidopyrimidines which provides a basis to develop more optimized ligands. Copyright © 2017 Elsevier Inc. All rights reserved.

Virtual Boutique: a 3D modeling and content-based management approach to e-commerce

NASA Astrophysics Data System (ADS)

Paquet, Eric; El-Hakim, Sabry F.

2000-12-01

The Virtual Boutique is made out of three modules: the decor, the market and the search engine. The decor is the physical space occupied by the Virtual Boutique. It can reproduce any existing boutique. For this purpose, photogrammetry is used. A set of pictures of a real boutique or space is taken and a virtual 3D representation of this space is calculated from them. Calculations are performed with software developed at NRC. This representation consists of meshes and texture maps. The camera used in the acquisition process determines the resolution of the texture maps. Decorative elements are added like painting, computer generated objects and scanned objects. The objects are scanned with laser scanner developed at NRC. This scanner allows simultaneous acquisition of range and color information based on white laser beam triangulation. The second module, the market, is made out of all the merchandises and the manipulators, which are used to manipulate and compare the objects. The third module, the search engine, can search the inventory based on an object shown by the customer in order to retrieve similar objects base don shape and color. The items of interest are displayed in the boutique by reconfiguring the market space, which mean that the boutique can be continuously customized according to the customer's needs. The Virtual Boutique is entirely written in Java 3D and can run in mono and stereo mode and has been optimized in order to allow high quality rendering.

Improving Communication between Postgraduate Researchers and the University Library: A Case Study at De Montfort University Library and Learning Services

ERIC Educational Resources Information Center

Petch, Melanie; Fraser, Katie; Rush, Nathan; Cope, Alan; Lowe, Julie

2016-01-01

A well-established postgraduate researcher development program has existed at De Montfort University for many years. Library and Learning Services include modules on literature searching skills and critical appraisal. However, we recognized that researchers seemed to be disengaged with the services on offer. This concern informed a research…

Applying Virtual Reality to commercial Edutainment

NASA Technical Reports Server (NTRS)

Grissom, F.; Goza, Sharon P.; Goza, S. Michael

1994-01-01

Virtual reality (VR) when defined as a computer generated, immersive, three dimensional graphics environment which provides varying degrees of interactivity, remains an expensive, highly specialized application, yet to find its way into the school, home, or business. As a novel approach to a theme park-type attraction, though, its use can be justified. This paper describes how a virtual reality 'tour of the human digestive system' was created for the Omniplex Science Museum of Oklahoma City, Oklahoma. The customers main objectives were: (1) to educate; (2) to entertain; (3) to draw visitors; and (4) to generate revenue. The 'Edutainment' system ultimately delivered met these goals. As more such systems come into existence the resulting library of licensable programs will greatly reduce development costs to individual institutions.

Hit identification and optimization in virtual screening: practical recommendations based on a critical literature analysis.

PubMed

Zhu, Tian; Cao, Shuyi; Su, Pin-Chih; Patel, Ram; Shah, Darshan; Chokshi, Heta B; Szukala, Richard; Johnson, Michael E; Hevener, Kirk E

2013-09-12

A critical analysis of virtual screening results published between 2007 and 2011 was performed. The activity of reported hit compounds from over 400 studies was compared to their hit identification criteria. Hit rates and ligand efficiencies were calculated to assist in these analyses, and the results were compared with factors such as the size of the virtual library and the number of compounds tested. A series of promiscuity, druglike, and ADMET filters were applied to the reported hits to assess the quality of compounds reported, and a careful analysis of a subset of the studies that presented hit optimization was performed. These data allowed us to make several practical recommendations with respect to selection of compounds for experimental testing, definition of hit identification criteria, and general virtual screening hit criteria to allow for realistic hit optimization. A key recommendation is the use of size-targeted ligand efficiency values as hit identification criteria.

Utah Virtual Lab: JAVA interactivity for teaching science and statistics on line.

PubMed

Malloy, T E; Jensen, G C

2001-05-01

The Utah on-line Virtual Lab is a JAVA program run dynamically off a database. It is embedded in StatCenter (www.psych.utah.edu/learn/statsampler.html), an on-line collection of tools and text for teaching and learning statistics. Instructors author a statistical virtual reality that simulates theories and data in a specific research focus area by defining independent, predictor, and dependent variables and the relations among them. Students work in an on-line virtual environment to discover the principles of this simulated reality: They go to a library, read theoretical overviews and scientific puzzles, and then go to a lab, design a study, collect and analyze data, and write a report. Each student's design and data analysis decisions are computer-graded and recorded in a database; the written research report can be read by the instructor or by other students in peer groups simulating scientific conventions.

Coral disease and health workshop: Coral Histopathology II, July 12-14, 2005

USGS Publications Warehouse

Galloway, S.B.; Woodley, Cheryl M.; McLaughlin, S.M.; Work, Thierry M.; Bochsler, V.S.; Meteyer, Carol U.; Sileo, Louis; Peters, E.C.; Kramarsky-Winters, E.; Morado, J. Frank; Parnell, P.G.; Rotstein, D.S.; Harely, R.A.; Reynolds, T.L.

2005-01-01

An exciting highlight of this meeting was provided by Professor Robert Ogilvie (MUSC Department of Cell Biology and Anatomy) when he introduced participants to a new digital technology that is revolutionizing histology and histopathology in the medical field. The Virtual Slide technology creates digital images of histological tissue sections by computer scanning actual slides in high definition and storing the images for retrieval and viewing. Virtual slides now allow any investigator with access to a computer and the web to view, search, annotate and comment on the same tissue sections in real time. Medical and veterinary slide libraries across the country are being converted into virtual slides to enhance biomedical education, research and diagnosis. The coral health and disease researchers at this workshop deem virtual slides as a significant way to increase capabilities in coral histology and a means for pathology consultations on coral disease cases on a global scale. 

Differential Sensitivity Between a Virtual Reality Balance Module and Clinically Used Concussion Balance Modalities.

PubMed

Teel, Elizabeth F; Gay, Michael R; Arnett, Peter A; Slobounov, Semyon M

2016-03-01

Balance assessments are part of the recommended clinical concussion evaluation, along with computerized neuropsychological testing and self-reported symptoms checklists. New technology has allowed for the creation of virtual reality (VR) balance assessments to be used in concussion care, but there is little information on the sensitivity and specificity of these evaluations. The purpose of this study is to establish the sensitivity and specificity of a VR balance module for detecting lingering balance deficits clinical concussion care. Retrospective case-control study. Institutional research laboratory. Normal controls (n = 94) and concussed participants (n = 27). All participants completed a VR balance assessment paradigm. Concussed participants were diagnosed by a Certified Athletic Trainer or physician (with 48 hours postinjury) and tested in the laboratory between 7 and 10 days postinjury. Receiver operating characteristic curves were performed to establish the VR module's sensitivity and specificity for detecting lingering balance deficits. Final balance score. For the VR balance module, a cutoff score of 8.25 was established to maximize sensitivity at 85.7% and specificity at 87.8%. The VR balance module has high sensitivity and specificity for detecting subacute balance deficits after concussive injury. The VR balance has a high subacute sensitivity and specificity as a stand-alone balance assessment tool and may detect ongoing balance deficits not readily detectable by the Balance Error Scoring System or Sensory Organization Test. Virtual reality balance modules may be a beneficial addition to the current clinical concussion diagnostic battery.

Update on PISCES

NASA Technical Reports Server (NTRS)

Pearson, Don; Hamm, Dustin; Kubena, Brian; Weaver, Jonathan K.

2010-01-01

An updated version of the Platform Independent Software Components for the Exploration of Space (PISCES) software library is available. A previous version was reported in Library for Developing Spacecraft-Mission-Planning Software (MSC-22983), NASA Tech Briefs, Vol. 25, No. 7 (July 2001), page 52. To recapitulate: This software provides for Web-based, collaborative development of computer programs for planning trajectories and trajectory- related aspects of spacecraft-mission design. The library was built using state-of-the-art object-oriented concepts and software-development methodologies. The components of PISCES include Java-language application programs arranged in a hierarchy of classes that facilitates the reuse of the components. As its full name suggests, the PISCES library affords platform-independence: The Java language makes it possible to use the classes and application programs with a Java virtual machine, which is available in most Web-browser programs. Another advantage is expandability: Object orientation facilitates expansion of the library through creation of a new class. Improvements in the library since the previous version include development of orbital-maneuver- planning and rendezvous-launch-window application programs, enhancement of capabilities for propagation of orbits, and development of a desktop user interface.

Automating Small Libraries.

ERIC Educational Resources Information Center

Swan, James

1996-01-01

Presents a four-phase plan for small libraries strategizing for automation: inventory and weeding, data conversion, implementation, and enhancements. Other topics include selecting a system, MARC records, compatibility, ease of use, industry standards, searching capabilities, support services, system security, screen displays, circulation modules,…