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2015

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2015-September-07-Amanda Johnson, University Marketing And Communications, East Tennessee State University Sep 2015

2015-September-07-Amanda Johnson, University Marketing And Communications, East Tennessee State University

ETSU News

No abstract provided.

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Sediment Loss And Its Cause In Puerto Rico Watersheds, Y. Yuan, Y. Jiang, E. V. Taugas, Eric G. Mbonimpa Sep 2015

Sediment Loss And Its Cause In Puerto Rico Watersheds, Y. Yuan, Y. Jiang, E. V. Taugas, Eric G. Mbonimpa

Faculty Publications

A major environmental concern in the Commonwealth of Puerto Rico is increased sediment load to water reservoirs, to estuaries, and finally to coral reef areas outside the estuaries. Sediment deposition has significantly reduced the storage capacity of reservoirs, and sediments, with their associated contaminants and nutrients that are adsorbed, can stress corals and negatively impact reef health. To prevent and manage sediment loss it is therefore important to understand local soil erosion and sediment transport processes. The main objective of this study was to determine the influence of landscape characteristics on sediment loss. We analyzed available precipitation and sediment data …

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Introducing Dinamo: A Package For Calculating Protein Circular Dichroism Using Classical Electromagnetic Theory, Igor V. Uporov, Neville Y. Forlemu, Rahul Nori, Tsvetan Aleksandrov, Boris A. Sango, Yvonne E. Bongfen Mbote, Sandeep Pothuganti, Kathryn A. Thomasson Sep 2015

Introducing Dinamo: A Package For Calculating Protein Circular Dichroism Using Classical Electromagnetic Theory, Igor V. Uporov, Neville Y. Forlemu, Rahul Nori, Tsvetan Aleksandrov, Boris A. Sango, Yvonne E. Bongfen Mbote, Sandeep Pothuganti, Kathryn A. Thomasson

Chemistry Faculty Publications

The dipole interaction model is a classical electromagnetic theory for calculating circular dichroism (CD) resulting from the π-π* transitions of amides. The theoretical model, pioneered by J. Applequist, is assembled into a package, DInaMo, written in Fortran allowing for treatment of proteins. DInaMo reads Protein Data Bank formatted files of structures generated by molecular mechanics or reconstructed secondary structures. Crystal structures cannot be used directly with DInaMo; they either need to be rebuilt with idealized bond angles and lengths, or they need to be energy minimized to adjust bond lengths and bond angles because it is common for crystal structure …

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Enzyme Localization, Crowding, And Buffers Collectively Modulate Diffusion-Influenced Signal Transduction: Insights From Continuum Diffusion Modeling, Peter M. Kekenes-Huskey, Changsun Eun, J. A. Mccammon Sep 2015

Enzyme Localization, Crowding, And Buffers Collectively Modulate Diffusion-Influenced Signal Transduction: Insights From Continuum Diffusion Modeling, Peter M. Kekenes-Huskey, Changsun Eun, J. A. Mccammon

Chemistry Faculty Publications

Biochemical reaction networks consisting of coupled enzymes connect substrate signaling events with biological function. Substrates involved in these reactions can be strongly influenced by diffusion “barriers” arising from impenetrable cellular structures and macromolecules, as well as interactions with biomolecules, especially within crowded environments. For diffusion-influenced reactions, the spatial organization of diffusion barriers arising from intracellular structures, non-specific crowders, and specific-binders (buffers) strongly controls the temporal and spatial reaction kinetics. In this study, we use two prototypical biochemical reactions, a Goodwin oscillator, and a reaction with a periodic source/sink term to examine how a diffusion barrier that partitions substrates controls reaction …

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The Rider (2015-09-07), Jesus Sanchez Sep 2015

The Rider (2015-09-07), Jesus Sanchez

The Rider Archives

Vol.1 No.2

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“Being In Balance”: Self-Management Experiences Among Young Women With Type 1 Diabetes, Sanja Visekruna, Dana S. Edge, Lisa Keeping-Burke Sep 2015

“Being In Balance”: Self-Management Experiences Among Young Women With Type 1 Diabetes, Sanja Visekruna, Dana S. Edge, Lisa Keeping-Burke

The Qualitative Report

Women possess characteristics and experiences unique and different from men. Biological processes such as puberty, menstruation, motherhood and menopause may present challenges to self-management for individuals living with type 1 (T1) diabetes mellitus. In this study, descriptive phenomenology was used to uncover the self-management experiences of nine women aged 22- 30 years living with T1 diabetes. Data collection and analysis occurred simultaneously and followed the methodical structure of van Manen (1997). Study findings revealed five themes: 1) elusiveness of control; 2) dualism of technology; 3) forecasting and maintaining routines; 4) dealing with the “ups and downs”; and, 5) interfacing with …

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Seeking Sunlight: Rapid Phototactic Motility Of Filamentous Mat-Forming Cyanobacteria Optimize Photosynthesis And Enhance Carbon Burial In Lake Huron’S Submerged Sinkholes, Bopaiah A. Biddanda, Adam C. Mcmillan, Stephen A. Long, Michael J. Snider, Anthony D. Weinke Sep 2015

Seeking Sunlight: Rapid Phototactic Motility Of Filamentous Mat-Forming Cyanobacteria Optimize Photosynthesis And Enhance Carbon Burial In Lake Huron’S Submerged Sinkholes, Bopaiah A. Biddanda, Adam C. Mcmillan, Stephen A. Long, Michael J. Snider, Anthony D. Weinke

Open Access Publishing Support Funded Articles

We studied the motility of filamentous mat-forming cyanobacteria consisting primarily ofOscillatoria-like cells growing under low-light, low-oxygen, and high-sulfur conditions in Lake Huron’s submerged sinkholes using in situ observations, in vitro measurements and time-lapse microscopy. Gliding movement of the cyanobacterial trichomes (100–10,000 μm long filaments, composed of cells ~10 μm wide and ~3 μm tall) revealed individual as well as group-coordinated motility. When placed in a petri dish and dispersed in ground water from the sinkhole, filaments re-aggregated into defined colonies within minutes, then dispersed again. Speed of individual filaments increased with temperature from ~50 μm min-1 or ~15 …

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Local Anesthetics Induce Autophagy In Young Permanent Tooth Pulp Cells, H Zhuang, D Hu, D Singer, Jv Walker, Rb Nisr, K Tieu, K Ali, C Tredwin, S Luo, S Ardu, B Hu Sep 2015

Local Anesthetics Induce Autophagy In Young Permanent Tooth Pulp Cells, H Zhuang, D Hu, D Singer, Jv Walker, Rb Nisr, K Tieu, K Ali, C Tredwin, S Luo, S Ardu, B Hu

Peninsula Dental School

No abstract provided.

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Coping With Racial Discrimination: The Impact Of Substance Use, Emotional Eating, And Emotional Support On Mental And Physical Health, Maurice Endsley, Jr. Sep 2015

Coping With Racial Discrimination: The Impact Of Substance Use, Emotional Eating, And Emotional Support On Mental And Physical Health, Maurice Endsley, Jr.

Dissertations

Racial discrimination is a likely contributor to disparate health outcomes for African-American and Hispanic-Americans. The current study elaborates on previous research by assessing the impact of three coping variables, substance use, emotional eating, and social support, which may explain the relationship between racial discrimination and poorer perceptions physical functioning and three health maladies, including hypertension, diabetes, and cardiovascular disease. Furthermore, the coping responses were hypothesized to serve as protective factors against the development of depression and anger symptoms. A total of 424 Hispanic, African-American participants between the ages of 18 and 65 completed an online survey. A six variable model …

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Microwave Assisted Synthesis, Solution State, Spectral Studies And Theoretical Treatment Of Pd(Ii) , Pt(Iv) And Au(Iii) Ions Complexes Containing 2-Benzamide Benzothiazole, Mahasin F. Alias, Farah S. Jaafer Sep 2015

Microwave Assisted Synthesis, Solution State, Spectral Studies And Theoretical Treatment Of Pd(Ii) , Pt(Iv) And Au(Iii) Ions Complexes Containing 2-Benzamide Benzothiazole, Mahasin F. Alias, Farah S. Jaafer

Baghdad Science Journal

2-benzamide benzothiazole complexes of Pd(II) , Pt(IV) and Au(III) ions were prepared by microwave assisted radiation. The ligand and the complexes were isolated and characterized in solid state by using FT-IR, UV-Vis spectroscopy, flame atomic absorption, elemental analysis CHNS , magnetic susceptibility measurements , melting points and conductivity measurements. The nature of complexes in liquid state was studied by following the molar ratio method which gave results approximately identical to those obtained from isolated solid state; also, stability constant of the prepared complexes were studied and found that they were stable in molar ratio 1:1.The complexes have a sequar planner …

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Disorder Activity Of Some Enzymes Plays An Important Role In Pathological Mechanism Of Rheumatoid Arthritis Disease, Mohammed B. Al-Sadoun, Osama M. Al-Sabaawy Sep 2015

Disorder Activity Of Some Enzymes Plays An Important Role In Pathological Mechanism Of Rheumatoid Arthritis Disease, Mohammed B. Al-Sadoun, Osama M. Al-Sabaawy

Baghdad Science Journal

The aim of this research to show the role of some enzymes in pathological mechanism of rheumatoid arthritis (RA) disease. Sixty patients with RA and matched number of apparently healthy volunteers were included in the study. Spectrophotometric methods were used to determine Peroxy nitrite (ONOO), Nitric oxide (NO), Nitric oxide synthase activity (NOS) cycloxygenase-2 activity (COX-2), glutathione peroxidase (GPX) activity and superoxide dismutase (SOD) activity in serum of both groups. Colorimetric assay kits were used to determine Iron. Rheumatoid factor (RF) was determined using Imuno-Latex kit. ONOO, NO levels, and NOS activity were significantly higher in the patients compared to …

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Histological And Histochemical Studies Of Esophagus In Mabuya Aurata Septemaeniata, Anam S. Khalaf, Gazwa D. Al-Nakeeb Sep 2015

Histological And Histochemical Studies Of Esophagus In Mabuya Aurata Septemaeniata, Anam S. Khalaf, Gazwa D. Al-Nakeeb

Baghdad Science Journal

The wall of the esophagus in Mabuya aurata septemaeniata as in high vertebrates consists of four layers, mucosa, submucosa,muscularis and serosa. Mucosa forms many unorganized short and long folds penetrate inside the esophageal cavity. Mucosa contains two sub layers, first one is lining epithelium which includes two types of cells, simple ciliated columnar epithelial cells and goblet cells, second one is lamina properia. Mucosa does not have muscularis mucosa. There is no esophageal glands within esophagus. Many special stains were used as (Periodic Acid Schiff (PAS)) to detect Carbohydrates in goblet cells. Alcian blue were used to detect the amount …

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The Role Of Filamentous Bacteria Streptomyces Sp. In Reduction Of Some Nutrients Concentrations In Al- Restomia Waste Water Treatment Plant, Baghdad -Iraq, Athraa A. Ail, Ahmed A. Al-Hussieny, Amena S. Taha, Suadad A Kadhim Sep 2015

The Role Of Filamentous Bacteria Streptomyces Sp. In Reduction Of Some Nutrients Concentrations In Al- Restomia Waste Water Treatment Plant, Baghdad -Iraq, Athraa A. Ail, Ahmed A. Al-Hussieny, Amena S. Taha, Suadad A Kadhim

Baghdad Science Journal

The role of filamentous bacteria represented by Streptomycessp was studied as biological treatment for activated sludge AL- Restomia treatment unit in Baghdad city. The result shows reducing in phosphate concentration where apprise in started entrance the treatment unit 12.083 mg/L fast the unit stages reached to 8.426 mg /L where nitrate concentration apprises 3.59 mg/l and ending in 2.43 mg/L The concentration of ammonia apprises 1358 mg/L and reached to 140 mg/L. also the TDS concentration reduced from 1426 to 1203 mg/L where nutrient which represented (SO4, Mg, Ca, Na, K) reduced by range 30.883- 23.337 , 194- 121 , …

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Study The Infection With Intestinal Protozoa Entamoeba Histolytica And Giardia Lamblia Among Patients Who Attending Bint Al- Huda For Maternity And Children Hospital And Al Hussin Hospital In Nassriyia City In Thi-Qar Province, Basad A. Al-Aboody, Sahara Kareem, Nuhaj Al-Rekabi Sep 2015

Study The Infection With Intestinal Protozoa Entamoeba Histolytica And Giardia Lamblia Among Patients Who Attending Bint Al- Huda For Maternity And Children Hospital And Al Hussin Hospital In Nassriyia City In Thi-Qar Province, Basad A. Al-Aboody, Sahara Kareem, Nuhaj Al-Rekabi

Baghdad Science Journal

The aims of this study the infection with parasites Entamoeba histolytica and Giardia lamblia and prevalence rates and their relationship with gende , age group , the number of family members and source of drinking water among the patients at attending the Bint Al Huda and Al- Hussin Teaching hospital in Nassriyia city in Thi- Qar province , it was noticed that the percentage of parasitic infection at females was 38.55% and at males was 61.45% and the percentage of parasitic infection with Entamoeba histolytica 97% was higher than the percentage of parasitic infection with Giardia lamblia 3%,and the reduction …

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Synthesis, Characterization And Antibacterial Activity Of Cefalexin Dervatives, Entesar O. Al-Tamimi, Raad M. Muslih, Khalida A Thejeel Sep 2015

Synthesis, Characterization And Antibacterial Activity Of Cefalexin Dervatives, Entesar O. Al-Tamimi, Raad M. Muslih, Khalida A Thejeel

Baghdad Science Journal

New series of Schiff bases 2(a-j) and corresponding beta-lactam derivatives 3(a-j) were synthesized from cefalexin (1) as starting material. The compound (1) was reacted with different aldehydes and ketones to give Schiff bases derivatives 2(a-j). The synthesized Schiff bases were cyclized by chloroacetyl chloride in the presence of triethylamine to form beta-lactam derivatives 3(a-j). The compounds were characterized by deremination melting point, FT-IR and 1H NMR. The beta-lactam derivatives were screened in vitro antibacterial against some bacterial species

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Methionine As A Spacer Between Poly Acrylic Acid And Ampicillin, Firyal M. Ali, Saif M. Ali Sep 2015

Methionine As A Spacer Between Poly Acrylic Acid And Ampicillin, Firyal M. Ali, Saif M. Ali

Baghdad Science Journal

In this work a novel drug delivery system through modification of poly acrylic acid with Methionine as a spacer between the poly acrylic acid which was converted to its acyl chloride and reacted with Methionine as spacer unit which has been reacted with Ampicillin drug. In vitro drug release study had been conducted successfully in basic medium in pH 7.4 and acidic medium in pH 1.1 at 37°C. Due to many problems associated with drug release and, this modification could decrease the side effect of drug. The prepared prodrug polymer was characterized by spectra method [FTIR and 1H-NMR]. Physical properties …

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The Age-Specific Fecundity Life Tables Of Planococcus Citri Risso And Important Predators Attack In Baghdad, Jawad K. Al-Rubeae, Sahar M. Al-Kafagei Sep 2015

The Age-Specific Fecundity Life Tables Of Planococcus Citri Risso And Important Predators Attack In Baghdad, Jawad K. Al-Rubeae, Sahar M. Al-Kafagei

Baghdad Science Journal

Reproduction potential and age –specific fecundity of the Mealybug Planococcus citri Risso were studied in the laboratories of Biological control research unit,college of Agriculture –Baghdad university at 25± 2Cº and 60-70% R.H.with 16 light:8 dark photo period.The results showed that the survival ratio began to decline at the 38th day, the average female age was 20 days ,while the average age was 8 days at the first reproduction . Net reproduction rate ( Ro ) was 58.59 female female generation which prove that the population of the mealybug was of the unstable kind , intrinsic rate of increase (rm) was …

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Evaluation Of The Level Of Some Heavy Metals In Tobacco Of Domestic And Imported Cigarette Brands Used In Iraq, Majed H. Karbon, Faliah H. Ali, Enas J Hasan, Duraid E. Znad, Saad K. Zamil, Aamer F Lafi Sep 2015

Evaluation Of The Level Of Some Heavy Metals In Tobacco Of Domestic And Imported Cigarette Brands Used In Iraq, Majed H. Karbon, Faliah H. Ali, Enas J Hasan, Duraid E. Znad, Saad K. Zamil, Aamer F Lafi

Baghdad Science Journal

Smoking-related diseases can be attributed to the inhalation of many different toxins, including heavy metals, which have a host of harmful health effects. The primary objective of this study was to determine whether local and imported cigarette brands used in Iraq , have they elevated levels of metals or not .Three metals Lead (Pb) , Cadmium (Cd) and Chromium(Cr) were determined in tobacco of seventeen brands of imported cigarettes commonly available in Iraq and three Iraqi domestic cigarettes , which were randomly taken from retail market in Baghdad by using flame atomic absorption spectrometry. The produced data of imported and …

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Preparation Of Some Culture Media Locally From Leaves And Stems Of Purslane Plant (Portulaca Oleracea Oleracea L.) And Assessment Of Their Efficiency Comparing With Culture Media Of Oxoid Company, Bushra A. Kadhim, Yassamin H. Ali Sep 2015

Preparation Of Some Culture Media Locally From Leaves And Stems Of Purslane Plant (Portulaca Oleracea Oleracea L.) And Assessment Of Their Efficiency Comparing With Culture Media Of Oxoid Company, Bushra A. Kadhim, Yassamin H. Ali

Baghdad Science Journal

The leaves and stems of the local Purslane plant ( Portulaca oleracea oleracea L. ) were used to preapare the extract of two types ( wet and dried extractions) the extracts were prepared by weighting of 60grams of the wet and the dried plant individually, then boiled in 500ml of distal water. Finally the volume was completed to1 liter, then we used these extracts to prepare of 8 types of the culture media contained basic, selective and enrichment media for growing a group of pathogenic bacteria. 8 types of bacteria were used for this purpose: Escherichia coli, Pseudomonas flouresence, Staphylococcus …

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The Inhibitory Effect Of Lactobacillus Acidophilus And Lactobacillus Plantarum Against Candida Albicans Associated With Denture Stomatitis, Khalid A. Habib, Sara M. Farhan Sep 2015

The Inhibitory Effect Of Lactobacillus Acidophilus And Lactobacillus Plantarum Against Candida Albicans Associated With Denture Stomatitis, Khalid A. Habib, Sara M. Farhan

Baghdad Science Journal

In this study Candida speices was diagnosed in 26 swab samples from patients with denture stomatitis , investigates the antagonism activity of Lactobacillus was investigated against the yeast of Candida albicans in vitro.Results revealed that The inhibition effect of Lactic Acid Bacteria against C.albicans was examined in solid medium, L.plantarum gave higher inhibition average 11mm followed by L.acidophillus with average 9 mm and, L.fermentum , L.casei with averages 7 mm. Whereas the filtrates, the highest inhibition zone were 20 and 16 mm by L. plantarum and L.acidophillus, respectively.

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The Bactericidal Effect Of Co2 Laser On Pseudomonas Aeruginosa Isolated From Wound And Burn Infections, In-Vitro, Eman N. Naji, Aqeela A. Ali, Baydaa F. Hamzah Sep 2015

The Bactericidal Effect Of Co2 Laser On Pseudomonas Aeruginosa Isolated From Wound And Burn Infections, In-Vitro, Eman N. Naji, Aqeela A. Ali, Baydaa F. Hamzah

Baghdad Science Journal

A total of 60 cotton swabs are collected from patients suffering from burn wound and surgical site infections admitted to Baghdad Teaching Hospital and Burn Specialist Hospital in Baghdad city during 9/2013 to 11/2013. All cotton swabs are cultured initially on blood agar and MacConkey agar and subjected for standard bacteriological procedures for bacteriological diagnosis. Twenty samples out of sixty are identified as Pseudomonas aeruginosa by conventional methods. The results of antibiotic susceptibility test illustrate that the antibiotics resistance rate of Pseudomonas aeruginosa isolates is as follows:100% (2020) for ceftriaxone, cefepime and carbencillin, 70% (14/20) for amikacin, 65%(13/20) for tobramycin, …

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Preparation And Characterization Of Some Metal Complexes With Heterocyclic Azo Ligand (4-Subai), Abdullah M. A. Habiban, Waleed A. Mahmoud, Tamara A. Kareem Sep 2015

Preparation And Characterization Of Some Metal Complexes With Heterocyclic Azo Ligand (4-Subai), Abdullah M. A. Habiban, Waleed A. Mahmoud, Tamara A. Kareem

Baghdad Science Journal

The preparation and characterization of the Cu (II), Co(II), Ni(II), Zn(II), Cd(II), and Hg(II) metal complexes of heterocyclic azo ligand 2-[(4`-sulphamide phenyl) azo] -4,5-diphenyl imidazole (4-SuBAI) have been studied by elemental analysis, FT-IR and UV-Vis Spectroscopic, magnetic moment and molar conductance methods. The analytical data showed that all chelate complexes were prepared with (metal-ligand) ratio of (1:2). The general formula of these complexes was [ML2X2]. nH2O [were L=2-[(4`-sulphamide phenyl) azo]-4,5-diphenyl imidazole and X=Cl, and the octahedral geometry were suggested for these complexes .

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The Preparation Of Some New Mannich And Shiff Bases Derived From 2-Mercaptobenzimidazole, Mohammed R. Ahamed, Shetha F. Narren, Amaal S. Sadiq Sep 2015

The Preparation Of Some New Mannich And Shiff Bases Derived From 2-Mercaptobenzimidazole, Mohammed R. Ahamed, Shetha F. Narren, Amaal S. Sadiq

Baghdad Science Journal

The present work involved two steps: the first step include Mannich reaction was carried out on 2- mercaptobenzimidazole using formaldehyde and different secondary amine or amide to gives the compounds(2-16). The secnd step include preparation of (Ethylbenzimidazoly-2-mercaptoacetate)(17) from the reaction of 2- mercaptobenzimidazole with ethylchloroacetate than prepared hydrazide derivative[18]from reaction of compound(17) with hydrazinehydrate. Followed Preparation of shiff bases(19-24) and there reaction with mercaptoacetic acid to give a new compounds containing thiazolidinderivetives(25-30).Structure confirmation of all prepared compound were proved using FTIR and element analysis (C.H.N.S) and mesurmentedmelting point.

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The Effect Of Obesity And Insulin Resistance On Liver Enzymes In Type2 Diabetes Mellitus, Eshraq M. Salman, Bushra F. Hasan Sep 2015

The Effect Of Obesity And Insulin Resistance On Liver Enzymes In Type2 Diabetes Mellitus, Eshraq M. Salman, Bushra F. Hasan

Baghdad Science Journal

Diabetes mellitus (DM) has been defined as a clinical syndrome that is characterized by abnormal carbohydrate metabolism. The chronic hyperglycemia of diabetes is associated with long term damage, dysfunction, and failure of different organs, especially the liver .This study was conducted to assess the effect obesity and insulin resistance on liver enzymes in diabetic Iraqi patients.A comparative study of (90) Iraqi adults divided to three subgroup(30) obese ,(30) nonobese diabetic patients and(30)person had used as control. The analysis included Liver enzyme ALP,ALT,AST,GGT ,Fasting Plasma Glucose (FBG) , Lipid Profile , Hemoglobin A1C , insulin and homeostasis model assessment of insulin …

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The Impact Of Climate Change On Select Ecosystems, Mary Snow, Richard Snow Sep 2015

The Impact Of Climate Change On Select Ecosystems, Mary Snow, Richard Snow

Publications

Terrestrial and marine environments are experiencing pronounced changes. As species and their ecosystems undergo rising temperatures, varying precipitation patterns and alterations in their chemistry and phenology, there is a great deal of added stress on many organisms. Many species attempting to adapt to a rapidly changing climate are forced to migrate or to become extinct. Forest communities are changing in composition as well as migrating northward. Often, roads, cities, and other forms of development physically impede migration. Some species are not able to migrate at the pace with which their ecosystems are warming. In some forest communities, southern boundaries are …

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Implications Of Variable Waste Placement Conditions For Msw Landfills, Jason T. Cox, Nazli Yesiller, James L. Hanson Sep 2015

Implications Of Variable Waste Placement Conditions For Msw Landfills, Jason T. Cox, Nazli Yesiller, James L. Hanson

Civil and Environmental Engineering

This investigation was conducted to evaluate the influence of waste placement practices on the engineering response of municipal solid waste (MSW) landfills. Waste placement conditions were varied by moisture addition to the wastes at the time of disposal. Tests were conducted at a California landfill in test plots (residential component of incoming wastes) and full-scale active face (all incoming wastes including residential, commercial, and self-delivered components). The short-term effects of moisture addition were assessed by investigating compaction characteristics and moisture distribution and the long-term effects by estimating settlement characteristics of the variably placed wastes. In addition, effects on engineering properties …

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Distinguishing Binders From False Positives By Free Energy Calculations: Fragment Screening Against The Flap Site Of Hiv Protease, Nanjie Deng, Stefano Forli, Peng He, Alex Perryman, Lauren Wickstrom, R. S. K. Vijayan, Theresa Tiefenbrunn, David Stout, Emilio Gallicchio, Arthur J. Olson, Ronald M. Levy Sep 2015

Distinguishing Binders From False Positives By Free Energy Calculations: Fragment Screening Against The Flap Site Of Hiv Protease, Nanjie Deng, Stefano Forli, Peng He, Alex Perryman, Lauren Wickstrom, R. S. K. Vijayan, Theresa Tiefenbrunn, David Stout, Emilio Gallicchio, Arthur J. Olson, Ronald M. Levy

Publications and Research

Molecular docking is a powerful tool used in drug discovery and structural biology for predicting the structures of ligand–receptor complexes. However, the accuracy of docking calculations can be limited by factors such as the neglect of protein reorganization in the scoring function; as a result, ligand screening can produce a high rate of false positive hits. Although absolute binding free energy methods still have difficulty in accurately rank-ordering binders, we believe that they can be fruitfully employed to distinguish binders from nonbinders and reduce the false positive rate. Here we study a set of ligands that dock favorably to a …

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Mir-29/Hsp47 In Ecm Network, Ren Xu Sep 2015

Mir-29/Hsp47 In Ecm Network, Ren Xu

Markey Cancer Center Faculty Publications

No abstract provided.

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Apigenin Blocks Ikkα Activation And Suppresses Prostate Cancer Progression, Sanjeev Shukla, Rajnee Kanwal, Eswar Shankar, Manish Datt, Mark R. Chance, Pingfu Fu, Gregory T. Maclennan, Sanjay Gupta Sep 2015

Apigenin Blocks Ikkα Activation And Suppresses Prostate Cancer Progression, Sanjeev Shukla, Rajnee Kanwal, Eswar Shankar, Manish Datt, Mark R. Chance, Pingfu Fu, Gregory T. Maclennan, Sanjay Gupta

Faculty Scholarship

IKKα has been implicated as a key regulator of oncogenesis and driver of the metastatic process; therefore is regarded as a promising therapeutic target in anticancer drug development. In spite of the progress made in the development of IKK inhibitors, no potent IKKa inhibitor(s) have been identified. Our multistep approach of molecular modeling and direct binding has led to the identification of plant flavone apigenin as a specific IKKa inhibitor. Here we report apigenin, in micro molar range, inhibits IKKa kinase activity, demonstrates anti-proliferative and anti-invasive activities in functional cell based assays and exhibits anticancer efficacy in experimental tumor model. …

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Lessons For Life, Story Musgrave Sep 2015

Lessons For Life, Story Musgrave

The Transdisciplinary STEAM+ Journal

This piece explores the creation of character and talent through a wide diversity of education and experience.

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