From aaulia@sciences.sdsu.edu Tue Sep 4 16:32:21 2007 From: aaulia@sciences.sdsu.edu (aaulia@sciences.sdsu.edu) Date: Tue, 4 Sep 2007 11:32:21 -0400 Subject: [compsci] [CSRC SDSU] Colloquium this Friday -> CONFORMATIONALLY BASED DESIGN OF ANTITUMOR AGENTS Message-ID: <380-22007924153221705@M2W017.mail2web.com> Title: CONFORMATIONALLY BASED DESIGN OF ANTITUMOR AGENTS Date: Friday, September 7th, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Shelli R. McAlpine Department of Chemistry San Diego State University Abstract: The sansalvamide A (San A) scaffold is a promising structure for the development of novel cancer therapeutics. We are utilizing our compounds to treat multiple drug-resistant cancers, including lung, colon, and pancreatic cancers. These cancers are typically aggressive and unresponsive to drugs. Consequently, there remains an immediate need for the development of antitumor agents that target these cancers. We have produced 7 compounds that are cytotoxic to 4 drug resistant cancer cell lines at nanomolar concentrations (as low as 33 nM), and it is our overall goal of this project to develop a novel chemotherapeutic agent based on the San A scaffold that targets lung cancer cell lines. We identify a candidate lead compound by: determining how changes in the structure of the San A scaffold alter its cytotoxic activity against colon, pancreatic, and lung cancer cell lines, and by investigating their mechanism of action. In recent years we have optimized the San A scaffold to produce compounds that selectively target drug-resistant cancers. We have also identified the target for these compounds: Heat shock protein 90-beta (Hsp90). Hsp90 is up-regulated in lung cancer cells and inhibitors of Hsp90 show outstanding potential as a therapeutic tool for treating lung cancers. Our laboratory has shown that not only do our San A derivatives inhibit Hsp90 but they kill drug-resistant cancer cell lines ~20 times more effectively than a commonly used drug, Gemzar, and are >250 fold more effective at killing cancer cells than normal cells, thus limiting their potential side effects. Further, we have recently identified one compound that shows an average of high nanomolar potency against 8 lung cancer cell lines, and has an IC50 of 33 nM against one lung cancer cell line (HOP-92). Given that our San A derivatives share no structural similarities to current drugs on the market we have the opportunity to use our novel approach to treat drug-resistant cancers. Host: Jose E. Castillo For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: (619) 335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List -------------------------------------------------------------------- mail2web.com - Microsoft® Exchange solutions from a leading provider - http://link.mail2web.com/Business/Exchange From aaulia@sciences.sdsu.edu Thu Sep 6 18:14:13 2007 From: aaulia@sciences.sdsu.edu (aaulia@sciences.sdsu.edu) Date: Thu, 6 Sep 2007 13:14:13 -0400 Subject: [compsci] [CSRC SDSU] *Reminder* Colloquium this Friday -> CONFORMATIONALLY BASED DESIGN OF ANTITUMOR AGENTS Message-ID: <380-22007946171413856@M2W103.mail2web.com> Title: CONFORMATIONALLY BASED DESIGN OF ANTITUMOR AGENTS Date: Friday, September 7th, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Shelli R. McAlpine Department of Chemistry San Diego State University Abstract: The sansalvamide A (San A) scaffold is a promising structure for the development of novel cancer therapeutics. We are utilizing our compounds to treat multiple drug-resistant cancers, including lung, colon, and pancreatic cancers. These cancers are typically aggressive and unresponsive to drugs. Consequently, there remains an immediate need for the development of antitumor agents that target these cancers. We have produced 7 compounds that are cytotoxic to 4 drug resistant cancer cell lines at nanomolar concentrations (as low as 33 nM), and it is our overall goal of this project to develop a novel chemotherapeutic agent based on the San A scaffold that targets lung cancer cell lines. We identify a candidate lead compound by: determining how changes in the structure of the San A scaffold alter its cytotoxic activity against colon, pancreatic, and lung cancer cell lines, and by investigating their mechanism of action. In recent years we have optimized the San A scaffold to produce compounds that selectively target drug-resistant cancers. We have also identified the target for these compounds: Heat shock protein 90-beta (Hsp90). Hsp90 is up-regulated in lung cancer cells and inhibitors of Hsp90 show outstanding potential as a therapeutic tool for treating lung cancers. Our laboratory has shown that not only do our San A derivatives inhibit Hsp90 but they kill drug-resistant cancer cell lines ~20 times more effectively than a commonly used drug, Gemzar, and are >250 fold more effective at killing cancer cells than normal cells, thus limiting their potential side effects. Further, we have recently identified one compound that shows an average of high nanomolar potency against 8 lung cancer cell lines, and has an IC50 of 33 nM against one lung cancer cell line (HOP-92). Given that our San A derivatives share no structural similarities to current drugs on the market we have the opportunity to use our novel approach to treat drug-resistant cancers. Host: Jose E. Castillo For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: (619) 335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List -------------------------------------------------------------------- mail2web.com - Microsoft® Exchange solutions from a leading provider - http://link.mail2web.com/Business/Exchange From aaulia@sciences.sdsu.edu Fri Sep 7 17:05:01 2007 From: aaulia@sciences.sdsu.edu (aaulia@sciences.sdsu.edu) Date: Fri, 7 Sep 2007 12:05:01 -0400 Subject: [compsci] [CSRC SDSU] Colloquium next Friday -> CLASSICAL AND QUANTUM NONLINEAR LOCALIZED EXCITATIONS IN DISCRETE SYSTEMS Message-ID: <380-220079571651692@M2W038.mail2web.com> Title: CLASSICAL AND QUANTUM NONLINEAR LOCALIZED EXCITATIONS IN DISCRETE SYSTEMS Date: Friday, September 14th, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Faustino Palmero Acebedo Nonlinear Physics Group of the University of Sevilla (Spain) Abstract: Discrete breathers, or intrinsic localized modes, are spatially localized, time--periodic, nonlinear excitations that can exist and propagate in systems of coupled dynamical units. Recently, some experiments show the sighting of a form of discrete breather that exist at the atomic scale in a magnetic solid. Other observations of breathers refer to systems such as Josephson--junction arrays, photonic crystals and optical-switching waveguide arrays. All these observations underscore their importance in physical phenomena at all scales. We will review some theoretical contributions in the field of classical and quantum breathers, with possible applications to these widely different physical systems and to many other such as DNA, proteins, quantum dots, quantum computing, etc. Host: Ricardo Carretero For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: (619) 335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List -------------------------------------------------------------------- mail2web.com – What can On Demand Business Solutions do for you? http://link.mail2web.com/Business/SharePoint From aaulia@sciences.sdsu.edu Wed Sep 12 23:33:42 2007 From: aaulia@sciences.sdsu.edu (Akmal Aulia) Date: Wed, 12 Sep 2007 15:33:42 -0700 Subject: [compsci] [CSRC SDSU] *Reminder* Colloquium this Friday -> CLASSICAL AND QUANTUM NONLINEAR LOCALIZED EXCITATIONS IN DISCRETE SYSTEMS Message-ID: ------=_Part_25340_16667189.1189636422659 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline Title: CLASSICAL AND QUANTUM NONLINEAR LOCALIZED EXCITATIONS IN DISCRETE SYSTEMS Date: Friday, September 14th, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Faustino Palmero Acebedo Nonlinear Physics Group of the University of Sevilla (Spain) Abstract: Discrete breathers, or intrinsic localized modes, are spatially localized, time--periodic, nonlinear excitations that can exist and propagate in systems of coupled dynamical units. Recently, some experiments show the sighting of a form of discrete breather that exist at the atomic scale in a magnetic solid. Other observations of breathers refer to systems such as Josephson--junction arrays, photonic crystals and optical-switching waveguide arrays. All these observations underscore their importance in physical phenomena at all scales. We will review some theoretical contributions in the field of classical and quantum breathers, with possible applications to these widely different physical systems and to many other such as DNA, proteins, quantum dots, quantum computing, etc. Host: Ricardo Carretero For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: (619) 335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List ------=_Part_25340_16667189.1189636422659 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline Title: CLASSICAL AND QUANTUM NONLINEAR LOCALIZED EXCITATIONS IN DISCRETE SYSTEMS

Date: Friday, September 14th, 2007
Time: 3:30 PM
Location: GMCS 214


Speaker:

Faustino Palmero Acebedo
Nonlinear Physics Group of the University of Sevilla (Spain)



Abstract:

Discrete breathers, or intrinsic localized modes, are spatially localized,
time--periodic, nonlinear excitations that can exist and propagate in
systems of coupled dynamical units. Recently, some experiments show the
sighting of a form of discrete breather that exist at the atomic scale in a
magnetic solid. Other observations of breathers refer to systems such as
Josephson--junction arrays, photonic crystals and optical-switching
waveguide arrays. All these observations underscore their importance in
physical phenomena at all scales. We will review some theoretical
contributions in the field of classical and quantum breathers, with
possible applications to these widely different physical systems and to
many other such as DNA, proteins, quantum dots, quantum computing, etc.

Host: Ricardo Carretero

For future events, please visit our web site at:
http://www.csrc.sdsu.edu/csrc/events/colloquium/

*******************************************
Akmal Aulia
PhD Student
Computational Science Research Center
San Diego State University
Phone: (619) 335-7187
Email: aaulia@sciences.sdsu.edu
_______________________________________________
SDSU Computational Science Research Center
Mailing List


------=_Part_25340_16667189.1189636422659-- From aaulia@sciences.sdsu.edu Thu Sep 13 19:07:57 2007 From: aaulia@sciences.sdsu.edu (Akmal Aulia) Date: Thu, 13 Sep 2007 11:07:57 -0700 Subject: [compsci] [CSRC SDSU] *Reminder* Colloquium this Friday -> CLASSICAL AND QUANTUM NONLINEAR LOCALIZED EXCITATIONS IN DISCRETE SYSTEMS In-Reply-To: References: Message-ID: ------=_Part_30596_2889226.1189706877779 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline Title: CLASSICAL AND QUANTUM NONLINEAR LOCALIZED EXCITATIONS IN DISCRETE SYSTEMS Date: Friday, September 14th, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Faustino Palmero Acebedo Nonlinear Physics Group of the University of Sevilla (Spain) Abstract: Discrete breathers, or intrinsic localized modes, are spatially localized, time--periodic, nonlinear excitations that can exist and propagate in systems of coupled dynamical units. Recently, some experiments show the sighting of a form of discrete breather that exist at the atomic scale in a magnetic solid. Other observations of breathers refer to systems such as Josephson--junction arrays, photonic crystals and optical-switching waveguide arrays. All these observations underscore their importance in physical phenomena at all scales. We will review some theoretical contributions in the field of classical and quantum breathers, with possible applications to these widely different physical systems and to many other such as DNA, proteins, quantum dots, quantum computing, etc. Host: Ricardo Carretero For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: (619) 335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List ------=_Part_30596_2889226.1189706877779 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline Title: CLASSICAL AND QUANTUM NONLINEAR LOCALIZED EXCITATIONS IN DISCRETE SYSTEMS

Date: Friday, September 14th, 2007
Time: 3:30 PM
Location: GMCS 214


Speaker:

Faustino Palmero Acebedo
Nonlinear Physics Group of the University of Sevilla (Spain)



Abstract:

Discrete breathers, or intrinsic localized modes, are spatially localized,
time--periodic, nonlinear excitations that can exist and propagate in
systems of coupled dynamical units. Recently, some experiments show the
sighting of a form of discrete breather that exist at the atomic scale in a
magnetic solid. Other observations of breathers refer to systems such as
Josephson--junction arrays, photonic crystals and optical-switching
waveguide arrays. All these observations underscore their importance in
physical phenomena at all scales. We will review some theoretical
contributions in the field of classical and quantum breathers, with
possible applications to these widely different physical systems and to
many other such as DNA, proteins, quantum dots, quantum computing, etc.

Host: Ricardo Carretero

For future events, please visit our web site at:
http://www.csrc.sdsu.edu/csrc/events/colloquium/

*******************************************
Akmal Aulia
PhD Student
Computational Science Research Center
San Diego State University
Phone: (619) 335-7187
Email: aaulia@sciences.sdsu.edu
_______________________________________________
SDSU Computational Science Research Center
Mailing List

------=_Part_30596_2889226.1189706877779-- From aaulia@sciences.sdsu.edu Sat Sep 15 04:43:35 2007 From: aaulia@sciences.sdsu.edu (aaulia@sciences.sdsu.edu) Date: Fri, 14 Sep 2007 23:43:35 -0400 Subject: [compsci] [CSRC SDSU] Next Friday's Colloquium -> COLLOIDAL STABILITY IN VISCOUS FLUID SUSPENSIONS Message-ID: <380-22007961534335905@M2W031.mail2web.com> Title: Colloidal stability in viscous fluid suspensions Date: Friday, September 21st, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Antonio Redondo Theoretical Division Los Alamos National Laboratory Abstract: Colloidal particle suspensions are widely used in commercial products such as shampoos, fabric enhancers and liquid detergents. The suspensions tend to have complex formulations with compositions that include viscous fluids, polymer and other molecule additives and electrolytes. I will describe a study we are undertaking at Los Alamos to study the stability of these suspensions with respect to aggregation of the colloidal particles. Host: Jose E. Castillo For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: 619-335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List -------------------------------------------------------------------- mail2web LIVE – Free email based on Microsoft® Exchange technology - http://link.mail2web.com/LIVE From aaulia@sciences.sdsu.edu Wed Sep 19 06:01:28 2007 From: aaulia@sciences.sdsu.edu (aaulia@sciences.sdsu.edu) Date: Wed, 19 Sep 2007 01:01:28 -0400 Subject: [compsci] *Reminder* This Friday's Colloquium -> COLLOIDAL STABILITY IN VISCOUS FLUID SUSPENSIONS Message-ID: <380-2200793195128813@M2W012.mail2web.com> Title: Colloidal stability in viscous fluid suspensions Date: Friday, September 21st, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Antonio Redondo Theoretical Division Los Alamos National Laboratory Abstract: Colloidal particle suspensions are widely used in commercial products such as shampoos, fabric enhancers and liquid detergents. The suspensions tend to have complex formulations with compositions that include viscous fluids, polymer and other molecule additives and electrolytes. I will describe a study we are undertaking at Los Alamos to study the stability of these suspensions with respect to aggregation of the colloidal particles. Host: Jose E. Castillo For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: 619-335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List -------------------------------------------------------------------- mail2web.com – What can On Demand Business Solutions do for you? http://link.mail2web.com/Business/SharePoint From aaulia@sciences.sdsu.edu Sun Sep 23 20:35:05 2007 From: aaulia@sciences.sdsu.edu (aaulia@sciences.sdsu.edu) Date: Sun, 23 Sep 2007 15:35:05 -0400 Subject: [compsci] This Friday's Colloquium -> Modeling of Sintering Processes - Current Developments Message-ID: <380-22007902319355794@M2W030.mail2web.com> Title: Modeling of Sintering Processes - Current Developments Date: Friday, September 28th, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Eugene A. Olevsky Professor of Mechanical Engineering San Diego State University Abstract: Directions of further developments in the modeling of sintering will be pointed out with a special emphasis on multi-scale simulations and modeling of field-assisted sintering. The continuum theory of sintering enables computer models to predict shape changes and density evolution during the sintering process; the multi-scale extension of this theory can provide the full-fledged virtual reality of powder materials' manufacturing. Various examples of the application of the multi-scale sintering modeling will be demonstrated including the analysis of the consolidation of powder electronic components, bio-materials fabrication, automotive and aircraft components' production, etc. A novel continuum theory of sintering - based approach is applied to model the electric-field assisted - "spark-plasma" sintering (SPS) which involves rapid heating of powder by electric current with simultaneous application of an external pressure. Numerous experimental investigations point to the ability of SPS to render highly-dense powder products with the potential of grain size retention. The latter ability is of significance for the consolidation of nano-powder materials where the grain growth is one of the major problems. Due to the complex nature of various phenomena involved in SPS, only few modeling attempts have been undertaken until presently. The conducted theoretical studies are mostly reduced to the modeling of temperature and electric current density distributions. A model for spark-plasma sintering (SPS) taking into consideration various mechanisms of material transport will be discussed. The contributions of sintering stress (surface tension), external load, and electromigration / ionic conduction to sintering shrinkage will be jointly analyzed. The results of modeling will be compared with the experimental data on the SPS shrinkage kinetics. Host: Jose E. Castillo For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: 619-335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List -------------------------------------------------------------------- mail2web.com - Microsoft® Exchange solutions from a leading provider - http://link.mail2web.com/Business/Exchange From aaulia@sciences.sdsu.edu Thu Sep 27 06:18:12 2007 From: aaulia@sciences.sdsu.edu (aaulia@sciences.sdsu.edu) Date: Thu, 27 Sep 2007 01:18:12 -0400 Subject: [compsci] *Reminder* This Friday's Colloquium -> Modeling of Sintering Processes - Current Developments Message-ID: <380-22007942751812283@M2W014.mail2web.com> Title: Modeling of Sintering Processes - Current Developments Date: Friday, September 28th, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Eugene A. Olevsky Professor of Mechanical Engineering San Diego State University Abstract: Directions of further developments in the modeling of sintering will be pointed out with a special emphasis on multi-scale simulations and modeling of field-assisted sintering. The continuum theory of sintering enables computer models to predict shape changes and density evolution during the sintering process; the multi-scale extension of this theory can provide the full-fledged virtual reality of powder materials' manufacturing. Various examples of the application of the multi-scale sintering modeling will be demonstrated including the analysis of the consolidation of powder electronic components, bio-materials fabrication, automotive and aircraft components' production, etc. A novel continuum theory of sintering - based approach is applied to model the electric-field assisted - "spark-plasma" sintering (SPS) which involves rapid heating of powder by electric current with simultaneous application of an external pressure. Numerous experimental investigations point to the ability of SPS to render highly-dense powder products with the potential of grain size retention. The latter ability is of significance for the consolidation of nano-powder materials where the grain growth is one of the major problems. Due to the complex nature of various phenomena involved in SPS, only few modeling attempts have been undertaken until presently. The conducted theoretical studies are mostly reduced to the modeling of temperature and electric current density distributions. A model for spark-plasma sintering (SPS) taking into consideration various mechanisms of material transport will be discussed. The contributions of sintering stress (surface tension), external load, and electromigration / ionic conduction to sintering shrinkage will be jointly analyzed. The results of modeling will be compared with the experimental data on the SPS shrinkage kinetics. Host: Jose E. Castillo For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: 619-335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List -------------------------------------------------------------------- mail2web - Check your email from the web at http://link.mail2web.com/mail2web From aaulia@sciences.sdsu.edu Sun Sep 30 00:24:52 2007 From: aaulia@sciences.sdsu.edu (aaulia@sciences.sdsu.edu) Date: Sat, 29 Sep 2007 19:24:52 -0400 Subject: [compsci] *Reminder* This Friday's Colloquium -> BAYESIAN MULTI-LDA FOR MATRIX FACTORIZATION Message-ID: <380-220079629232452106@M2W005.mail2web.com> Title: BAYESIAN MULTI-LDA FOR MATRIX FACTORIZATION Date: Friday, October 5th, 2007 Time: 3:30 PM Location: GMCS 214 Speaker: Ian Porteous Information & Computer Science University of California at Irvine Abstract: Matrix factorization algorithms like SVD and Non-negative matrix factorization (NMF) are arguably among the most widely used algorithms throughout machine learning and data mining. Applications of these techniques can be found in bioinformatics, robotics, computer vision, text analysis, information retrieval, collaborative filtering and so on. However, SVD and NMF do not assign probabilities to predictions and therefore can not provide uncertainty estimates. As an example a company wants to send gift cards to customers for items they are likely to want, but have not yet purchased. The company can run a matrix factorization algorithm on the joint product-customer matrix of ratings to find people who are likely to purchase item X, but the company will have no estimate of uncertainty for the predictions. Probabilistic models such as PLSA and their Bayesian extensions such as LDA which do assign probabilities to predictions have been proposed as text models in the bag-of-words representation. Furthermore, an extension of PLSA to the case of user recommendation systems has been proposed. However, these models treat customers and products differently. In particular they discover user communities but not product groups. We propose a symmetrized LDA model, which we call "Multi-LDA" which draws information from related products as well as related customers. Additionally, Multi-LDA is not limited to matrix factorization, but applies to tensor factorization as well. For example Multi-LDA could be applied to customer-product-date data. In addition to describing Multi-LDA, I will discuss how Multi-LDA relates to NMF and LDA and discuss some experimental results from customer-product ratings, customer-movie ratings, and handwritten digits. I will also outline a Nonparametric version, which is able to estimate the number of customer and product groups automatically. Host: Jose E. Castillo For future events, please visit our web site at: http://www.csrc.sdsu.edu/csrc/events/colloquium/ ******************************************* Akmal Aulia PhD Student Computational Science Research Center San Diego State University Phone: 619-335-7187 Email: aaulia@sciences.sdsu.edu _______________________________________________ SDSU Computational Science Research Center Mailing List -------------------------------------------------------------------- myhosting.com - Premium Microsoft® Windows® and Linux web and application hosting - http://link.myhosting.com/myhosting