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Computational Chemistry Capacity Building In An Underprivileged Context: Challenges, Outcomes And Perspectives, L Mammino

Tanzania Journal of Science

Computational chemistry is a fast developing branch of modern chemistry, focusing on the study of molecules to enable better understanding of the properties of substances. Its applications comprise a variety of fields, from drug design to the design of compounds with desired properties (e.g., catalysts with specific actions) and to ample overlaps with nanotechnology. However, despite its relevance, the presence of computational chemistry research in Sub-Saharan Africa is still scarce, practically absent in many institutions. Bridging the gap with the other continents requires the identification of capacity building options that may enable a rapid growth. The recent experience at the …

Mole Street Journal, November 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Conservative And Accurate Data Remapping For Coupling Climate Models (Wrf And Cam), Ying Chen

Stony Brook Theses and Dissertations Collection, 2006-2020 (closed to submissions)

The two-way coupling of WRF and CAM for regional climate modeling requires transferring data (such as wind velocities, temperature, moisture, etc.) between the grids of WRF and CAM. These grids are in general non-matching, and the data transfer should be both physical conservative and numerically accurate. Our method contains two parts: constructing the common refinement and conservative data transfer using the common refinement. The former computes the cell intersections and provides the necessary data structures for the latter. We project the grids of WRF and CAM onto a plain surface using their corresponding map projection methods (such as: Lambert conformal …

Mole Street Journal, October 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Mole Street Journal, September 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Mole Street Journal, August 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

A Study Of Data Mining Trend Through The Optimized Bibliometric Methodology Based On Sci Database From 1993 To 2011, Lu Dai, Lixin Ding, Yunwen Lei, Yangge Tian

Applied Mathematics & Information Sciences

An optimized bibliometric method was applied in this work to evaluate global scientific production of data mining papers of the Science Citation Index (SCI). In compared with traditional bibliometric keyword analysis, a semantic words class was established by applying the text extraction mode to remove noise in the abstract and combining with the core relative phrases retrieved from keywords to get the sample for further experiment. The analysis shows a high correlation between title and keywords, and the title reports less information than keywords does. Also, keywords provide more positive guidance to know and be familiar with the status and …

Physical Environmental And Biological Correlates Of Otolith Chemistry Of Arctic Marine Fishes In The Chukchi Sea, Christine Marie Gleason

Marine Biology

Life history movement patterns in marine fishes can be determined by otolith chemistry if environmental variables are reflected in the otoliths. Arctic cod (Boreogadus Saida), Arctic staghorn sculpin (Gymnocanthus tricuspis), and Bering flounder (Hippoglossoides robustus) are abundant Arctic fishes in the Chukchi Sea with overlapping distributions. Physical environmental data, demersal fishes, bottom seawater, and sediment interface seawater samples were collected from the Chukchi Sea Offshore Monitoring in Drilling Area (COMIDA) cruise on July 30, 2009 and the Russian American Long-term Census of the Arctic (RUSALCA) cruise from September 3 to 30, 2009 in the Chukchi Sea. Magnesium (Mg), strontium (Sr), …

Mole Street Journal, July 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Mole Street Journal, June 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Study Of Cytotoxic Effect Of Aqueous Extract Fenugreek(Trigonella Foenum Graecum L.S) Seeds And The New Complexes Of Rh (Iii) And Pd (Ii) On Cancer Cell Lines, Mahasin Faisal Alias, Jinan Hussain Murtadha, Iman Hashim Abdul Alrazzaq

Baghdad Science Journal

The effect of the aqueous extract of fenugreek seeds (Trigonella Foenum GraecumL.),Rhodium complex (Ш) with formula [RhL2CLH2O].1 1/2 ETOH and palladium (П) [pdl2].2ETOH,where L=2-hydroxy phenyl piperonalidine was studied on two cancer cell lines. The first cell line was intestine cancer of female albino mice (L20B), the second one was Rhabdomysarcomas (RD)cell line in human. The activity of the new complexes and the aqueous extract wascompared to the well-known anticancer drug (cis-platin) by utilizing the in vitro system. The cell lines were treated with four concentrations of cis-platin 31.25,62.5,125 and 250 μg/ml for 72 hour exposure time. The same concentrations were …

Mole Street Journal, May 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Dynamic Gene Expression In The Human Cerebral Cortex Distinguishes Children From Adults, Kirstin N. Sterner, Amy Weckle, Harry T. Chugani, Adi L. Tarca, Chet C. Sherwood, Patrick R. Hof, Christopher W. Kuzawa, Amy M. Boddy, Asad Abbas, Ryan L. Raaum, Lucie Grégoire, Leonard Lipovich, Lawrence I. Grossman, Monica Uddin, Morris Goodman, Derek E. Wildman

Publications and Research

In comparison with other primate species, humans have an extended juvenile period during which the brain is more plastic. In the current study we sought to examine gene expression in the cerebral cortex during development in the context of this adaptive plasticity. We introduce an approach designed to discriminate genes with variable as opposed to uniform patterns of gene expression and found that greater inter-individual variance is observed among children than among adults. For the 337 transcripts that show this pattern, we found a significant overrepresentation of genes annotated to the immune system process (pFDR>0). Moreover, genes known to …

Mole Street Journal, April 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Synthesis Of Novel Alkaline Earth Tosylate Complexes Through Donor Studies, Adam J. Brooks

Renée Crown University Honors Thesis Projects - All

Salt metathesis has become a critical reaction pathway in organometallic chemistry; however, for alkaline earth metals this process is hindered by the need of highly pure and expensive metal iodides as starting materials. This contribution highlights recent attempts to identify inexpensive reagents for salt metathesis. Alkaline earth-tosylates can be prepared cost effectively using p-toluenesulfonic acid in one-pot reactions in water. The coordinated water molecules can be removed by gentle heating under vacuum. The anhydrous tosylates, however, have major solubility limitations as the result of extensive aggregation networks. The goal of this study was to increase the solubility of the tosylates …

Holy Cross Magazine, Vol. 46, No. 2, Spring 2012, College Of The Holy Cross

Holy Cross Magazine

Syllabus: Advanced Spanish Composition and Conversation
with Professor Esther L. Levine
By Pam Reponen

Fr. Boroughs on The Hill
The new president connects with the Holy Cross community
By Suzanne Morrissey

Around the World in (Less Than) 80 Days
Intensive four- and six-week Summer Study Abroad programs offer Holy Cross participants a global perspective in lasting ways.
By Christine Hofmann-Bourque

The Top 25 Moments in Holy Cross History
What events shook the campus? Changed it forever? Brought it the greatest honor? Review the list, then cast your vote for the Number One Moment.
Introduction by Rev. Anthony J. Kuzniewski, S.J., …

Report: The Illinois State University Faculty-Staff Newsletter, April 24, 2012, Illinois State University

Illinois State University Report (1966-2012)

Illinois State University bi-weekly employee newsletter.

Mole Street Journal, March 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Nongenomic Mechanisms Of Pten Regulation, Jimmie E. Fata, Shawon Debnath, Edmund C. Jenkins, Marcia V. Fournier

Publications and Research

A large amount of data supports the view that PTEN is a bona fide tumor suppressor gene. However, recent evidence suggests that derailment of cellular localization and expression levels of functional nonmutated PTEN is a determining force in inducing abnormal cellular and tissue outcomes. As the cellular mechanisms that regulate normal PTEN enzymatic activity resolve, it is evident that deregulation of these mechanisms can alter cellular processes and tissue architecture and ultimately lead to oncogenic transformation. Here we discuss PTEN ubiquitination, PTEN complex formation with components of the adherens junction, PTEN nuclear localization, and microRNA regulation of PTEN as essential …

Mole Street Journal, February 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Mole Street Journal, January 2012, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Mole Street Journal, December 2011, University Of Arkansas, Fayetteville. Dept. Of Chemistry And Biochemistry

Mole Street Journal

No abstract provided.

Practical Objectivity: Keeping Natural Science Natural, Alan G. Padgett

Faculty Publications

No abstract provided.

Boesenbergia Rotunda: From Ethnomedicine To Drug Discovery, T. Eng-Chong, L. Yean-Kee, C. Chin-Fei, H. Choon-Han, W. Sher-Ming, C.T. Li-Ping, F. Gen-Teck, Norzulaani Khalid, N. Abd Rahman, S.A. Karsani, S. Othman, R. Othman, R. Yusof

Research Publications (2011 to 2015)

Boesenbergia rotunda is a herb from the Boesenbergia genera under the Zingiberaceae family. B. rotunda is widely found in Asian countries where it is commonly used as a food ingredient and in ethnomedicinal preparations. The popularity of its ethnomedicinal usage has drawn the attention of scientists worldwide to further investigate its medicinal properties. Advancement in drug design and discovery research has led to the development of synthetic drugs from B. rotunda metabolites via bioinformatics and medicinal chemistry studies. Furthermore, with the advent of genomics, transcriptomics, proteomics, and metabolomics, new insights on the biosynthetic pathways of B. rotunda metabolites can be …

Studies Directed To The Development Of Long Lived Palladium Membranes For Hydrogen Purification, William Glenn Pinson

Graduate Student Theses, Dissertations, & Professional Papers

The focus of this study was to systematically investigate the variables involved in electroless deposition of palladium and palladium alloy membranes on a known porous stainless steel substrate, and apply the results to a new and novel porous stainless steel substrate. Different oxide pore and surface treatments were studied. The effect of silica as a diffusion barrier, surface pore modifier, and palladium nucleation site was examined. Silica sol-gel coating treated stainless steel substrates were explored. Several different formulas of sol-gel coatings and their impact on palladium and palladium copper deposition were researched. The roles of sintering and annealing and their …

Structured Dna Probe Microarrays For Detection Of Acetotrophic Methanogens In Complex Solutions, Jonas Boateng

Dissertations

No abstract provided.

Age As A Factor In Inter-Tissue Spacing Of Stable Carbon Isotope Values In Juvenile Human Remains From The Dakhleh Oasis, Egypt, Annie Laurie Norris

Electronic Theses and Dissertations

Although stable isotope analysis is routinely utilized in bioarchaeology and relies on principles that are well-understood, there are still fundamental issues that have not been thoroughly investigated. This thesis examines the relationship between inter-tissue spacing of carbon stable isotope values (δ13C) and age in juvenile human remains. Analyses of tissues within the same individual reveal disparate isotopic values for a variety of physiological and biological reasons discussed herein. This project examines the distance between the δ13C values in bone collagen, skin, hair, and nail, and examines how these distances vary between different age groups, utilizing data collected from 52 well-preserved …

Designing Direct And Indirect Factor Xa Inhibitors, Rami Al-Horani

Theses and Dissertations

Anticoagulants are the basis for treatment and prevention of thrombotic diseases. The currently available medicines are associated with a wide range of adverse reactions that mandates developing new anticoagulants. Several lines of evidence support the superiority of factor Xa (FXa) as a promising target to develop novel anticoagulants. This work focuses on the design of direct and indirect FXa inhibitors using an interdisciplinary approach. As indirect FXa inhibitors, a focused library of tetrasulfated N–arylacyl tetrahydroisoquinoline (THIQ) nonsaccharide allosteric antithrombin activators was designed, synthesized, and biochemically evaluated to establish their structure–activity relationship (SAR). An N–arylacyl THIQ analog having carboxylate at position–3, …

Evaluation Of A Wide Rim Phosphorylated Calix[4]Arene's Properties As A Sensory Molecule In An Er(Iii)-Pvc Membrane Sensor, Abbas Ali Zamani, Massoumeh Parinejad, Fataneh Jamali, Mohammad Reza Yaftian, Dominique Matt

Turkish Journal of Chemistry

This study concerns the evaluation of ionophoric properties of a functionalized calix[4]arene, named 5,17-bis(diphenylphosphinoyl)- 25,26,27,28-tetrapropoxycalix[4]arene (Calix), by its application as a sensing material in an erbium(III)-PVC membrane potentiometric sensor. A membrane formed by 30% PVC, 65% dioctyl phthalate (DOP) as plasticizing solvent mediator, 2% sodium tetraphenyl borate (NaTPB) as ion excluder, and 3% of Calix as ionophore shows the best performance of the sensor. The prepared sensor presents a nearly Nernstian response (a slope of 20.0 \pm 0.5 mV/decade) over a concentration range of 1 \times 10^{-7}--1 \times 10^{-3} M of erbium ions, with a limit of detection of 3.8 …