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Articles 1 - 30 of 59
Full-Text Articles in Chemistry
Computer Simulation Of The Light Absorption Band Of The Jumping Spider Isorhodopsin, Noah Zoldak
Computer Simulation Of The Light Absorption Band Of The Jumping Spider Isorhodopsin, Noah Zoldak
Honors Projects
In order to simulate the photoisomerization of the 9-cis Jumping Spider Isorhodopsin (JSiR-1) it is necessary to first simulate its light-absorption band. Here we report on the absorption band simulated using protein models constructed using the advanced Automatic Rhodopsin Modeling (a-ARM) program. A population of S0 models was created and the corresponding S0 to S1 transitions were determined for each member of the resulting population. The calculation resulted in a Gaussian plot showing that the wavelength of the absorption maximum of 560 nm (a violet color) that is consistent, but red-shifted, with respect the experimentally observed value.
Hydrogen Bonding In Small Model Peptides; The Dft And Mp2 Study, Gracie Smith, Martina Kaledin
Hydrogen Bonding In Small Model Peptides; The Dft And Mp2 Study, Gracie Smith, Martina Kaledin
Symposium of Student Scholars
Formamide is a small model compound for the study of the peptide bond. The peptide bond links amino acids together, specifies rigidity to the protein backbone, and includes the essential docking sites for hydrogen-bond-mediated protein folding and protein aggregation, namely, the C=O acceptor and the N-H donor parts. Therefore, the infrared C=O (amide-I) and N-H (amide-A) vibrations provide sensitive and widely used probes into the structure of peptides. This computational chemistry work, we study hydrogen bonds in formamide dimer isomers. We evaluate the accuracy of the density functional theory (DFT) and many-body perturbation theory to the 2nd order (MP2) …
Probing Conformational Landscapes And Mechanisms Of Allosteric Communication In The Functional States Of The Abl Kinase Domain Using Multiscale Simulations And Network-Based Mutational Profiling Of Allosteric Residue Potentials, Keerthi Krishnan, Hao Tian, Peng Tao, Gennady M. Verkhivker
Probing Conformational Landscapes And Mechanisms Of Allosteric Communication In The Functional States Of The Abl Kinase Domain Using Multiscale Simulations And Network-Based Mutational Profiling Of Allosteric Residue Potentials, Keerthi Krishnan, Hao Tian, Peng Tao, Gennady M. Verkhivker
Mathematics, Physics, and Computer Science Faculty Articles and Research
In the current study, multiscale simulation approaches and dynamic network methods are employed to examine the dynamic and energetic details of conformational landscapes and allosteric interactions in the ABL kinase domain that determine the kinase functions. Using a plethora of synergistic computational approaches, we elucidate how conformational transitions between the active and inactive ABL states can employ allosteric regulatory switches to modulate intramolecular communication networks between the ATP site, the substrate binding region, and the allosteric binding pocket. A perturbation-based network approach that implements mutational profiling of allosteric residue propensities and communications in the ABL states is proposed. Consistent with …
Turning Density Functional Theory Calculations Into Molecular Mechanics Simulations : Establishing The Fluctuating Density Model For Rna Nucleobases, Christopher A. Myers
Turning Density Functional Theory Calculations Into Molecular Mechanics Simulations : Establishing The Fluctuating Density Model For Rna Nucleobases, Christopher A. Myers
Legacy Theses & Dissertations (2009 - 2024)
Molecular mechanics (MD) simulations and density functional theory (DFT) have been the backbone of computational chemistry for decades. Due to its accuracy and computational feasibility, DFT has become the go-to method for theoretically predicting interaction energies, polarizability, and other electronic properties of small molecules at the quantum mechanical level. Although less fundamental than DFT, molecular mechanics (MM) algorithms have been just as influential in the fields of biology and chemistry, owing their success to the ability to compute measurable, macroscopic quantities for systems with tens of thousands to hundreds of thousands of atoms at a time. Nevertheless, MD simulations would …
The Interaction Of Different Primary Producers And Physical And Chemical Dynamics Of An Urban Shallow Lake, Majid Sahin
The Interaction Of Different Primary Producers And Physical And Chemical Dynamics Of An Urban Shallow Lake, Majid Sahin
Dissertations, Theses, and Capstone Projects
An artificial urban shallow lake, Prospect Park Lake (PPL), is situated on a terminal moraine in Brooklyn New York, and supplied with municipal water treated with ortho-phosphates. The constant input of the phosphate nutrient is the primary source of eutrophication in the lake. The numerous pools along the water course houses various aquatic phototrophs, which influence the water quality and the state of the system, driving conditions into favoring the survival of their species. In the first half of the dissertation, the focus of the project is on analyzing how the different primary producers in different regions of PPL affect …
Computational Study On The Effectiveness Of Flavonoids From Marsilea Crenata C. Presl As Potent Sirt1 Activators And Nfκb Inhibitors, Sri Rahayu, Sasangka Prasetyawan, Sri Widyarti, Mochammad Fitri Atho’Illah, Gatot Ciptadi
Computational Study On The Effectiveness Of Flavonoids From Marsilea Crenata C. Presl As Potent Sirt1 Activators And Nfκb Inhibitors, Sri Rahayu, Sasangka Prasetyawan, Sri Widyarti, Mochammad Fitri Atho’Illah, Gatot Ciptadi
Karbala International Journal of Modern Science
Ovarian aging is a natural process in females, and it occurs due to an elevated ROS-induced inflammation caused by oxidative stress. SIRT-1 is a metabolic sensor that tightly regulates oxidative and inflammatory responses. However, this regulative function is antagonized by NFκB. Therefore, the objective of this study was to explore the pathways involved in aging and identify the flavonoid compounds from Marsilea crenata that might be useful as SIRT1 activators and NFκB inhibitors. The screening began with exploring the protein-protein interaction in the experimental process using BioGrid, and the role of the flavonoid was evaluated using STITCH. The interaction between …
Molecular Characterization Of Esbls And Ampc Β-Lactamases In Bacteria Isolated From Currency Notes Circulating In Mosul City, Iraq, Mahmood Zeki Al-Hasso, Shakir Ghazi Gergees, Zahraa Khairialdeen Mohialdeen
Molecular Characterization Of Esbls And Ampc Β-Lactamases In Bacteria Isolated From Currency Notes Circulating In Mosul City, Iraq, Mahmood Zeki Al-Hasso, Shakir Ghazi Gergees, Zahraa Khairialdeen Mohialdeen
Karbala International Journal of Modern Science
The Iraqi currency notes circulating in Mosul city were evaluated for the occurrence of ESBLs and AmpC b-lactamaseproducing bacteria. Four hundred and twenty-two Gram-positive and negative bacterial isolates with different antimicrobial resistance profiles were recovered from 250 samples collected during the period from April to July 2021, among which 150 isolates (35.5%) were multi-drug resistant (MDR). The study found that 16.4% and 14.8% of Gram negative isolates were positive for ESBLs and AmpC phenotypic detection tests, respectively. Interestingly, 6.6% of the isolates were simultaneously positive for both tests. Molecular characterization was carried out using PCR technique to determine the prevalent …
Molecular Docking And Dynamics Simulation Studies To Predict Multiple Medicinal Plants’ Bioactive Compounds Interaction And Its Behavior On The Surface Of Denv-2 E Protein, Arief Hidayatullah, Wira Eka Putra, Muhaimin Rifa’I, Sustiprijatno Sustiprijatno, Diana Widiastuti, Muhammad Fikri Heikal, Hendra Susanto, Wa Ode Salma, Hilal Mulyadi
Molecular Docking And Dynamics Simulation Studies To Predict Multiple Medicinal Plants’ Bioactive Compounds Interaction And Its Behavior On The Surface Of Denv-2 E Protein, Arief Hidayatullah, Wira Eka Putra, Muhaimin Rifa’I, Sustiprijatno Sustiprijatno, Diana Widiastuti, Muhammad Fikri Heikal, Hendra Susanto, Wa Ode Salma, Hilal Mulyadi
Karbala International Journal of Modern Science
The envelope protein (E) is a fusion class II protein that is essential for DENV fusion. We use two active compounds derived from commonly used plants in Indonesia: galangin and kaempferide. We ran a docking and 1000 ps molecular dynamic analysis with normal physiological parameters. During the simulation, galangin and kaempferide binding sites fluctuated. But chloroquine has lesser ligand mobility, hence keeping contact with fusion loops, whereas both drugs lose contact with hydrophobic pockets. However, the two active compounds have a more stable ligand configuration. Less than 2 Å alterations were seen in the RMSF simulation of the protein E …
Purifications Of Iraqi Petroleum Using Ceramic Ball Nano Cobalt Nickel Ferrite Filter, Huda Jabbar, Enas Muhi, Tahseen Hussien
Purifications Of Iraqi Petroleum Using Ceramic Ball Nano Cobalt Nickel Ferrite Filter, Huda Jabbar, Enas Muhi, Tahseen Hussien
Karbala International Journal of Modern Science
Iraqi petroleum, especially from the Al-Ahdab, has a big problem resulting from its high percentage of heavy metals. In this paper, heavy metals were reduced or removed from Iraqi petroleum using a Ceramic Ball Nano Cobalt Nickel Ferrite Filter (BCNF), synthesized by combining kaolin and palm frond in a 30% ratio with Co0.8Ni0.2Fe2O4 nanoparticles in a various ratios (5, 10, 15, and 20%). The sol-gel technique prepared Co0.8Ni0.2Fe2O4 nanoparticles. The structure and magnetic properties of the material are described using X-RD, FT-IR, and VSM techniques. In addition, the water ab-sorption ratio and apparent porosity were assessed. The results show that …
Studying The Physical And Biological Characteristics Of Denture Base Resin Pmma Reinforced With Zro2 And Tio2 Nanoparticles, Fatin A. Asim, Entessar H.A. Al-Mosaweb, Wafaa A. Hussain
Studying The Physical And Biological Characteristics Of Denture Base Resin Pmma Reinforced With Zro2 And Tio2 Nanoparticles, Fatin A. Asim, Entessar H.A. Al-Mosaweb, Wafaa A. Hussain
Karbala International Journal of Modern Science
Polymethyl methacrylate (PMMA) suffers from poor mechanical properties that limit its application in the bio-medical field. In this study, PMMA was reinforced with zirconium dioxide (ZrO2) and titanium dioxide (TiO2) nanopar-ticles; subsequently, the hardness, porosity, biocompatibility, bacterial adhesion, and colonization of the reinforced PMMA with various oxide nanoparticles were characterized. The results of this study indicated that reinforced material inhibits bacterial growth and decreases bacterial adhesion by decreasing porosity and increasing PMMA hardness. Based on the findings, 3 wt% PMMA-ZrO2 and 3 wt% PMMA-ZrO2 -TiO2 composites significantly inhibited bacterial growth and adherence while maintaining hemolysis PT and INR and enhancing …
C60 Hydrofullerene Induced Autophagy And Ameliorated Gfap In H2o2 Treated Human Malignant Glioblastoma U-373 Cell Line, Aryan M. Faraj, Can A. Agca, Victor S. Nedzvetsky, Artem A. Tykhomyrov
C60 Hydrofullerene Induced Autophagy And Ameliorated Gfap In H2o2 Treated Human Malignant Glioblastoma U-373 Cell Line, Aryan M. Faraj, Can A. Agca, Victor S. Nedzvetsky, Artem A. Tykhomyrov
Karbala International Journal of Modern Science
Glioblastoma is one of the most combative astrocytoma that is resistant to chemotherapy and radiotherapy. This resistance makes it very difficult to treat. However, researches have shown that nanoparticles especially C60 hydrofullerene have antioxidant and anticancer activity. The effect of C60 hydrofullerene in cancer has been extensively studied; however, the potential regulation of autophagy and modulation of the Glial Fibrillary Acidic Protein (GFAP) gene has not been addressed in glioblastomas. Glioblastoma U-373 cell was treated with 0.5 µM of C60 hydrofullerene and/or 1 mM of hydrogen peroxide (H2O2) for 24 hours. This study demonstrated that C60 hydrofullerene and H2O2 significantly …
Improving Prediction Of Arabic Fake News Using Fuzzy Logic And Modified Random Forest Model, Tahseen A. Wotaifi, Ban N. Dhannoon
Improving Prediction Of Arabic Fake News Using Fuzzy Logic And Modified Random Forest Model, Tahseen A. Wotaifi, Ban N. Dhannoon
Karbala International Journal of Modern Science
Throughout the last few years, the world is witnessing the so-called age of social media, as there is a complete dependence on these sites for following up on events and activities. The problem is that the misinformation or fake news is always released at the appropriate time, so this false news spreads quickly and takes a very wide resonance. Although several studies are performed to determine English fake news, the identification of Arabic misinformation remains underdeveloped. This study aims to build an improved learning model for detecting fake news in the Arabic language. Unlike previous studies that depended on analyzing …
Synthesized Zinc Nanoparticles Via Pulsed Laser Ablation: Characterization And Antibacterial Activity, Sahar Naji Rashid, Kadhim A. Aadim, Awatif Sabir Jasim, Arshad Mahdi Hamad
Synthesized Zinc Nanoparticles Via Pulsed Laser Ablation: Characterization And Antibacterial Activity, Sahar Naji Rashid, Kadhim A. Aadim, Awatif Sabir Jasim, Arshad Mahdi Hamad
Karbala International Journal of Modern Science
The pulsed laser ablation of a metallic target in the liquid (PLAL) is a modern and good method for creating a variety of nanomaterials that have piqued the interest of researchers in the last decade. It is used in this work to prepare zinc na-noparticles and zinc oxide nanoparticles (ZnPNs and ZnO NPs) using Nd: YAG laser with the two wavelengths (532 nm) and (355 nm) using the energies (600 mJ) and (500 mJ) respectively, and the number of the pulse (500, 600, 700, 800, and 900 Pulses); for each wavelength used in this work. The properties of the prepared …
A Successful Elimination Of Indonesian Sars-Cov-2 Variants And Airborne Transmission Prevention By Cold Plasma In Fighting Covid-19 Pandemic: A Preliminary Study, Muhammad Nur, Chairul A. Nidom, Setyarina Indrasari, Arif N. M. Ansori, Mohamad Y. Alamudi, Astria N. Nidom, Sumariyah Sumariyah, Eva Sasmita, Eko Yulianto, Andi W. Kinandana, Anwar Usman, Muhammad K. J. Kusala, Irine Normalina, Reviany V. Nidom
A Successful Elimination Of Indonesian Sars-Cov-2 Variants And Airborne Transmission Prevention By Cold Plasma In Fighting Covid-19 Pandemic: A Preliminary Study, Muhammad Nur, Chairul A. Nidom, Setyarina Indrasari, Arif N. M. Ansori, Mohamad Y. Alamudi, Astria N. Nidom, Sumariyah Sumariyah, Eva Sasmita, Eko Yulianto, Andi W. Kinandana, Anwar Usman, Muhammad K. J. Kusala, Irine Normalina, Reviany V. Nidom
Karbala International Journal of Modern Science
Global infection and mortality rates have soared to millions due to SARS-CoV-2 human-to-human transmission from via droplets which then declared as pandemic. This study examined the created cold plasma equipment (CPE) effectiveness in reducing COVID-19 transmission in a confined space. CPE sucked air using a fan in a test chamber then pushed it into a cold plasma reactor. The results indicated that it was able to terminate all SARS-CoV-2 variants along with bacteria and fungi indoors by keeping it turned on for 30 minutes’ minimum. CPE was proven as safe and effective to hinder virus transmission with the acceptable ozone …
Green Approach For Iron Oxide Nanoparticles Synthesis: Application In Antimicrobial And Anticancer- An Updated Review, Norul Aini Zakariya, Wan Hafizah W. Jusof, Shahnaz Majeed
Green Approach For Iron Oxide Nanoparticles Synthesis: Application In Antimicrobial And Anticancer- An Updated Review, Norul Aini Zakariya, Wan Hafizah W. Jusof, Shahnaz Majeed
Karbala International Journal of Modern Science
Cancer and microbial infections create numerous challenges nowadays. Chemotherapy agents cause severe side effects, while microbial infections, especially multidrug-resistant bacterial strains hard to treat with available antibiotics. Therefore, this review provides an overview of the green synthesis of Iron oxide nanoparticles (IONPs) with their physicochemical properties and mechanism of action . The IONPs causes cytotoxicity and antimicrobial activity by causing oxidative distress through the production of Reactive Oxygen Species (ROS). The IONPs as an anticancer and antimicrobial agent may help to overcome the limitation of conventional treatments but needs toxicity evaluation before usage in clinical applications.
A High Yield Method For Protoplast Isolation And Ease Detection Of Rol B And C Genes In The Hairy Roots Of Cauliflower (Brassica Oleracea L.) Inoculated With Agrobacterium Rhizogenes, Qutaiba Shuaib Al-Nema, Ghazwan Qasim Hasan, Omar Abdulazeez Alhamd
A High Yield Method For Protoplast Isolation And Ease Detection Of Rol B And C Genes In The Hairy Roots Of Cauliflower (Brassica Oleracea L.) Inoculated With Agrobacterium Rhizogenes, Qutaiba Shuaib Al-Nema, Ghazwan Qasim Hasan, Omar Abdulazeez Alhamd
Karbala International Journal of Modern Science
Protoplasts represent a unique experimental system for the circulation and formation of genetically modified plants. Here, protoplasts were isolated from genetically modified hairy root tissues of Brassica oleracea L. induced by the Agrobacterium rhizogenes strain (ATCC13332). The concentration of enzyme solutions utilized for protoplast isolation was 1.5 % Cellulase YC and 0.1 % Pectolyase Y23 in 13% mannitol solution, which resulted in high efficiency of isolation within 8 hours, in which the protoplast yield was 2 × 104 cells ml-1 and the percentage of viability was 72%. Each protoplast has one nucleus with a nucleation of 48%. A polymerase chain …
Tapioca Starch In The Sol-Gel Synthesis Of Cobalt Ferrites With Divalent Cation Substitutions, Anuchit Hunyek, Chitnarong Sirisathitkul, Krit Koyvanich
Tapioca Starch In The Sol-Gel Synthesis Of Cobalt Ferrites With Divalent Cation Substitutions, Anuchit Hunyek, Chitnarong Sirisathitkul, Krit Koyvanich
Karbala International Journal of Modern Science
An aqueous solution of tapioca starch was successfully used as a chelating agent in the sol-gel synthesis of Co0.7Me0.3Fe2O4, where Me denotes Co, Mn, Cu, Ni, or Zn. The hysteresis loops of all sintered ferrites revealed ferrimagnetic properties. The saturation magnetization was reduced in Co0.7Cu0.3Fe2O4 and Co0.7Ni0.3Fe2O4 because of the ion substitutions with smaller magnetic moments. Interestingly, Co0.7Cu0.3Fe2O4 exhibited the highest saturation magnetization and the lowest coercive field. This result demonstrates the value addition of local agricultural products in controlling nanoparticle formation during sol-gel synthesis.
Investigating The Nuclear Properties Of 162-172 Er Isotopes Using Ibm-1, Sef, And Nee, Amal M. Al-Nuaimi, R.B. Alkhayat, Mushtaq Abed Al-Jubbori
Investigating The Nuclear Properties Of 162-172 Er Isotopes Using Ibm-1, Sef, And Nee, Amal M. Al-Nuaimi, R.B. Alkhayat, Mushtaq Abed Al-Jubbori
Karbala International Journal of Modern Science
The energy levels of the ground state band (GSB), , and γ-bands for 162-172Er isotopes are calculated in this work by adopting the Interacting Boson Model (IBM-1), the Semi-Empirical Formula (SEF) and the New Empirical Equation (NEE). The GSB, , and γ-bands results revealed that IBM-1, SEF, NEE, and the available experimental data are all in agreement with certain variations. The NEE is more compatible with the experimental data than the IBM-1 and SEF calculations. This study demonstrates that the SEF and NEE equations are able to describe the energy spectra of Er isotopes in comparison to IBM-1. The Er …
Antimicrobial And Cytotoxic Properties Of Extracts From Over-Seasoned Worm-Casts Of The Earthworm Hyperiodrilus Africanus Beddard, 1891, Stephen Olugbemiga Owa, David Adeiza Otohinoyi, Theresa Ibibia Edewor-Ikupoyi, Adeolu Adeola Taiwo, Jenifer Akhere Okosun, Yvonne Oluchi Akujobi, Damilola Grace Oyewale, Tomilola Debby Olaolu, Damilare Emmanuel Rotimi, Osarenkhoe Omorefosa Osemwegie, Oluyomi Stephen Adeyemi
Antimicrobial And Cytotoxic Properties Of Extracts From Over-Seasoned Worm-Casts Of The Earthworm Hyperiodrilus Africanus Beddard, 1891, Stephen Olugbemiga Owa, David Adeiza Otohinoyi, Theresa Ibibia Edewor-Ikupoyi, Adeolu Adeola Taiwo, Jenifer Akhere Okosun, Yvonne Oluchi Akujobi, Damilola Grace Oyewale, Tomilola Debby Olaolu, Damilare Emmanuel Rotimi, Osarenkhoe Omorefosa Osemwegie, Oluyomi Stephen Adeyemi
Karbala International Journal of Modern Science
⦁ Background: Despite the continuous interest in the search for therapeutic agents, little attention has been given to the medicinal relevance of earthworm casts, with even less interest in over-seasoned worm-casts. Therefore, this study determined the phytochemical, antimicrobial, and cytotoxic properties of over-seasoned worm-casts of the earthworm Hyperiodrilus africanus (Eudrilidae). Methods: The earthworm casts were extracted with n-hexane, ethanol, and water and the crude extracts were evaluated for the presence of chemical constituents and antimicrobial properties. Cytotoxicity was inferred from the antimitotic effects of the extracts on the radicles of germinating seeds of Sorghum bicolor. Results: The chemical constituent determinations …
A Review On The Ethnobotanical, Phytochemistry, And Pharmacological Activities Of Aristolochia Longa L., Oluwafemi Adeleke Ojo, Matthew Iyobhebhe, Bukola Atunwa, Adebola Busola Ojo
A Review On The Ethnobotanical, Phytochemistry, And Pharmacological Activities Of Aristolochia Longa L., Oluwafemi Adeleke Ojo, Matthew Iyobhebhe, Bukola Atunwa, Adebola Busola Ojo
Karbala International Journal of Modern Science
Aristolochia longa L. is a plant native to Algeria and Morocco that has been used by the locals to combat different arrays of infections and diseases found among them. This particular plant is well-known for its therapeutic qualities that could be traced back to the presence of many effective phytochemicals that have been extrapolated from the different parts of the plant, like the leaves and roots: flavonoids, saponins, tannins, 4-hydroxybenzoic acid, β-carotenes, limonenes, and palmitic acids. This plant has been identified in different research articles to be able to manage diseases effectively because it possesses some pharmacological attributes such as; …
Applicability Limits Of The End Face Fiber-Optic Gas Concentration Sensor, Based On Fabry-Perot Interferometer, S.M.R.H. Hussein, A.Zh. Sakhabutdinov, O.G. Morozov, V.I. Anfinogentov, J.A. Tunakova, A.R. Shagidullin, A.A. Kuznetsov, K.A. Lipatnikov, A.R. Nasybullin
Applicability Limits Of The End Face Fiber-Optic Gas Concentration Sensor, Based On Fabry-Perot Interferometer, S.M.R.H. Hussein, A.Zh. Sakhabutdinov, O.G. Morozov, V.I. Anfinogentov, J.A. Tunakova, A.R. Shagidullin, A.A. Kuznetsov, K.A. Lipatnikov, A.R. Nasybullin
Karbala International Journal of Modern Science
The mathematical model of the fiber-optic sensor for gas concentration analysis is under study. The sensor is imple-mented as Fabry-Perot interferometer at the end face of the optical fiber by applying a thin polymer film, which permit-tivity depends on the tested gas concentration. It is shown, that a change in the properties of the optical fiber or the at-mosphere permittivity leads mainly to the spectrum contrast changing and does not change the period and the wave-length shift of its comb. The influence of the polymer film thickness, the environment temperature and humidity on the Fabry-Perot spectrum is analyzed. The necessity …
Molecular Docking Reveals Phytoconstituents Of The Methanol Extract From Muntingia Calabura As Promising Α-Glucosidase Inhibitors, Nurlena Andalia, Muhammad N. Salim, Nurdin Saidi, Muhammad Ridhwan, Muhammad Iqhrammullah, Ummu Balqis
Molecular Docking Reveals Phytoconstituents Of The Methanol Extract From Muntingia Calabura As Promising Α-Glucosidase Inhibitors, Nurlena Andalia, Muhammad N. Salim, Nurdin Saidi, Muhammad Ridhwan, Muhammad Iqhrammullah, Ummu Balqis
Karbala International Journal of Modern Science
Inhibition of α-glucosidase has been used as a management of type 2 diabetes mellitus, where studies are focused on finding more efficacious and safe drugs. Herein, the research aimed to unveil the potential of phytoconstituents contained in methanol extract of Muntingia calabura leaves in inhibiting α-glucosidase through molecular docking simulation. From a systematic search (Scopus), we found 5 eligible articles and identified 28 phytocompounds. Fisetin, pinostrobin, and rhamnetin identified in M. calabura extract were predicted to have good bioavailability. Finally, fisetin was revealed as the most potential α-glucosidase inhibitor candidate with a binding affinity of -7.5 kcal/mol.
Development Of The Implementation Of Iot Monitoring System Based On Node-Red Technology, Anvar Kabulov, Inomjon Yarashov, Salamat Mirzataev
Development Of The Implementation Of Iot Monitoring System Based On Node-Red Technology, Anvar Kabulov, Inomjon Yarashov, Salamat Mirzataev
Karakalpak Scientific Journal
This article describes how to design and implement a process for storing environmental information in a database using the Internet of Things. The problems that need to be solved with the help of this IoT system are the growing demand for forecasts in the world, the demand of the world market for a new sustainable method of implementing the digitization environment through the Internet of Things. The design was implemented using Arduino, Node-Red and sensors, selected when choosing a component based on the required parameters and sent to the database for monitoring and processing. A study of previous work and …
Du Undergraduate Showcase: Research, Scholarship, And Creative Works: Abstracts, Emma Aggeler, Elena Arroway, Daisy T. Booker, Justin Bravo, Kyle Bucholtz, Megan Burnham, Nicole Choi, Spencer Cockerell, Rosie Contino, Jackson Garske, Kaitlyn Glover, Caroline Hamilton, Haley Hartmann, Madalyne Heiken, Colin Holter, Leah Huzjak, Alyssa Jeng, Cole Jernigan, Chad Kashiwa, Adelaide Kerenick, Emily King, Abigail Langeberg, Maddie Leake, Meredith Lemons, Alec Mackay, Greer Mckinley, Ori Miller, Guy Milliman, Katherine Miromonti, Audrey Mitchell, Lauren Moak, Megan Morrell, Gelella Nebiyu, Zdenek Otruba, Toni V. Panzera, Kassidy Patarino, Sneha Patil, Alexandra Penney, Kevin Persky, Caitlin Pham, Gabriela Recinos, Mary Ringgenberg, Chase Routt, Olivia Schneider, Roman Shrestha, Arlo Simmerman, Alec Smith, Tessa Smith, Nhi-Lac Thai, Kyle Thurmann, Casey Tindall, Amelia Trembath, Maria Trubetskaya, Zachary Vangelisti, Peter Vo, Abby Walker, David Winter, Grayden Wolfe, Leah York
Du Undergraduate Showcase: Research, Scholarship, And Creative Works: Abstracts, Emma Aggeler, Elena Arroway, Daisy T. Booker, Justin Bravo, Kyle Bucholtz, Megan Burnham, Nicole Choi, Spencer Cockerell, Rosie Contino, Jackson Garske, Kaitlyn Glover, Caroline Hamilton, Haley Hartmann, Madalyne Heiken, Colin Holter, Leah Huzjak, Alyssa Jeng, Cole Jernigan, Chad Kashiwa, Adelaide Kerenick, Emily King, Abigail Langeberg, Maddie Leake, Meredith Lemons, Alec Mackay, Greer Mckinley, Ori Miller, Guy Milliman, Katherine Miromonti, Audrey Mitchell, Lauren Moak, Megan Morrell, Gelella Nebiyu, Zdenek Otruba, Toni V. Panzera, Kassidy Patarino, Sneha Patil, Alexandra Penney, Kevin Persky, Caitlin Pham, Gabriela Recinos, Mary Ringgenberg, Chase Routt, Olivia Schneider, Roman Shrestha, Arlo Simmerman, Alec Smith, Tessa Smith, Nhi-Lac Thai, Kyle Thurmann, Casey Tindall, Amelia Trembath, Maria Trubetskaya, Zachary Vangelisti, Peter Vo, Abby Walker, David Winter, Grayden Wolfe, Leah York
DU Undergraduate Research Journal Archive
Abstracts from the DU Undergraduate Showcase.
Simulating Photo-Disintegration Of 137cs Radioactive Waste Using Various Energies Of Gamma Photons, Hassanain H. Alkazzaz, Asia H. Al-Mashhadani, Kamal H. Lateef
Simulating Photo-Disintegration Of 137cs Radioactive Waste Using Various Energies Of Gamma Photons, Hassanain H. Alkazzaz, Asia H. Al-Mashhadani, Kamal H. Lateef
Karbala International Journal of Modern Science
In this study, the possibility of using gamma-ray in photo-disintegration method was examined so that it can be used in the remediation of 137Cs radionuclides waste materials by nuclear transmutation to convert long-lived nuclides to other isotopes nuclides, which are shorter half-life (or stable), by different photo-nuclear reaction channels (γ,n), (γ,2n), (γ,p), (γ, a), (γ,d). A simulation code has been written using MATLAB for conducting calculations of reduction and residual. The results showed that gamma-ray fluxes below 1017 [cm-2 s-1] are not adequate to perform effective incinera-tion of 137Cs, and as for gamma flux of 1018 [cm-2 s-1] it showed …
Engineering Of A Multi-Epitope Subunit Vaccine Against Sasrs-Cov-2 Through The Viroinformatic Approach, Aamir Shehzada, Christijogo Sumartono, Jusak Nugraha, Helen Susilowatid, Andi Yasmin Wijayab, Hafiz Ishfaq Ahmad, Wiwiek Tyasningsih, Fedik Abdul Rantam
Engineering Of A Multi-Epitope Subunit Vaccine Against Sasrs-Cov-2 Through The Viroinformatic Approach, Aamir Shehzada, Christijogo Sumartono, Jusak Nugraha, Helen Susilowatid, Andi Yasmin Wijayab, Hafiz Ishfaq Ahmad, Wiwiek Tyasningsih, Fedik Abdul Rantam
Karbala International Journal of Modern Science
The COVID-19 outbreak has infected millions of people worldwide, but no vaccine has been discovered to combat it efficiently. This research aims to design a multi-epitope vaccine using highly efficient B- and T-cell epitopes from the SARS-CoV-2 Surabaya isolate through a viroinformatic approach. First, the putative epitopes were linked together to develop tertiary structures and then docked with toll-like receptor 4 (TLR-4) that demonstrated a robust interaction with a low eigenvalue of 4.816138 e-06. Furthermore, the structure's high immunogenic response was observed and successfully cloned into the expression vector pET28a (+). This implies that the designed vaccine can prove effective …
Computational Investigations Into Astrochemical Inorganic Oxides, Ammonia Borane, And Genetic Algorithms, E. Michael Valencia
Computational Investigations Into Astrochemical Inorganic Oxides, Ammonia Borane, And Genetic Algorithms, E. Michael Valencia
Honors Theses
The formulations of quantum mechanics in the early 1900s were exciting theoretical discoveries, but were not practical to apply until the advent of computers and the subsequent computational methods in 1951. With the introduction of tractable simplifications, procedures such as Hartree-Fock allowed for determination of properties of non-trivial systems. Presently, huge leads of computational power have allowed for extremely precise, quantitative work that can be applied to the human body, synthesis, or even astrochemical processes. This thesis presents works concerning 1) the history of quantum mechanics; 2) a brief primer on computational chemistry and its methods; 3) inorganic oxides in …
A Machine Learning Based Approach To Detect The Ethereum Fraud Transactions With Limited Attributes, Rabia Musheer Aziz, Mohammed Farhan Baluch, Sarthak Patel, Pavan Kumar
A Machine Learning Based Approach To Detect The Ethereum Fraud Transactions With Limited Attributes, Rabia Musheer Aziz, Mohammed Farhan Baluch, Sarthak Patel, Pavan Kumar
Karbala International Journal of Modern Science
Ethereum smart contracts have recently received new commercial applications and a lot of attention from the scientific community. Ethereum eliminates the requirement for a trusted third party by allowing untrusted parties to expose contract details in computer code. Nonetheless, as online commerce grows, plenty of fraudulent activities, such as money laundering, bribery, and phishing, emerge as major threats to trade security. For correctly recognizing fraudulent transactions, this paper developed a Light Gradient Boosting Machine (LGBM) technique-based model. The modified LGBM model optimized the parameters of Light GBM using the Euclidean distant structured estimation approach. This paper also examines the performance …
A Bi-Level Data Lowering Method To Minimize Transferring Big Data In The Sensors Of Iot Applications, Ali Kadhum M. Al-Qurabat, Ali Kadhum Idrees, Abdallah Makhoul, Chady Abou Jaoude
A Bi-Level Data Lowering Method To Minimize Transferring Big Data In The Sensors Of Iot Applications, Ali Kadhum M. Al-Qurabat, Ali Kadhum Idrees, Abdallah Makhoul, Chady Abou Jaoude
Karbala International Journal of Modern Science
In the IoT era, the number of devices connected to it continues to grow significantly. This can lead to an increase in the amount of reported data by these IoT devices. The reported data by the Sensor Nodes (SNs) to the Gateway (GW) drives these IoT sensors to consume their energy and storage. These problems can be solved by reducing the amount of data in the source nodes in order to reduce both the amount of energy consumed and the amount of storage required. Energy consumption represents one aspect of the Quality of Service (QoS) in the sensor nodes of …