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Articles 571 - 600 of 1828
Full-Text Articles in Chemistry
Study Of Pore Length And Chemical Composition Of Charcoal That Results From The Pyrolysis Of Coconut Shell In Bolaang Mongondow, Sulawesi, Indonesia, Meytij Jeanne Rampe, Ignatius Rachmat S. Santoso, Henny Lieke Rampe, Vistarani Arini Tiwow, Tresia Eti Ayuningsi Rorano
Study Of Pore Length And Chemical Composition Of Charcoal That Results From The Pyrolysis Of Coconut Shell In Bolaang Mongondow, Sulawesi, Indonesia, Meytij Jeanne Rampe, Ignatius Rachmat S. Santoso, Henny Lieke Rampe, Vistarani Arini Tiwow, Tresia Eti Ayuningsi Rorano
Karbala International Journal of Modern Science
Charcoal of coconut shell is produced by pyrolysis at 300oC and chemically activated using HCl. Both pyrolysis charcoal and chemical activation were measured and analyzed by Fourier Transform Infrared (FTIR), Scanning Electron Microscopy (SEM), and Energy Dispersive Spectroscopy (EDS). The functional groups found O-H, aliphatic C-H, aromatic C=C, C-O, and aromatic C-H. The distribution of pyrolysis charcoal pore length and chemical activation increased from 362 nm-1.02 µm to 1.10 µm-1.52 µm. The composition of carbon elements in the mass % of pyrolysis charcoal and chemical activation increased from 86.11% to 88.93%.
In-Vitro Evaluation Of High Dosage Of Curcumin Encapsulation In Palm-Oil-In-Water, Nanoemulsion Stabilized With A Sonochemical Approach, Uday Dasharath Bagale Phd, Aram Tsaturov, Irina Potoroko, Shital Potdar, Shirish Sonawane Phd
In-Vitro Evaluation Of High Dosage Of Curcumin Encapsulation In Palm-Oil-In-Water, Nanoemulsion Stabilized With A Sonochemical Approach, Uday Dasharath Bagale Phd, Aram Tsaturov, Irina Potoroko, Shital Potdar, Shirish Sonawane Phd
Karbala International Journal of Modern Science
Curcumin is unstable under different environmental conditions. To increase the bioavailability and stability of curcumin, it is proposed in the present study to encapsulate it in palm oil-in-water nanoemulsions using ultrasound. The present work deals with maximum curcumin encapsulation into oil forms stable nanoemulsion using a food-grade surfactant and examines its antioxidant assay and in-vitro study. The synthesized curcumin nanoemulsion (CuNE) shows particle size in the range of 14.7 ± 3 nm, 95 ± 0.5% encapsulation efficiency, and provides stability against different environmental parameters. Furthermore, in-vitro analysis of high dosage CuNE shows more than 80-90% retention during simulated gastric and …
Silver Nanoparticles Synthesized By Nd: Yag Laser Ablation Technique: Characterization And Antibacterial Activity, Sahar Naji Rashid Msc., Kadhim A. Aadim Ph.D., Awatif Sabir Jasim Ph.D.
Silver Nanoparticles Synthesized By Nd: Yag Laser Ablation Technique: Characterization And Antibacterial Activity, Sahar Naji Rashid Msc., Kadhim A. Aadim Ph.D., Awatif Sabir Jasim Ph.D.
Karbala International Journal of Modern Science
The pulsed laser ablation in liquid (PLAL) technique can produce high purity nanoparticles, it is a top-down physical method based on the principle of dividing metal ion bulk precursors into metal atoms, this method was used in this work to synthesize silver nanoparticles (AgPNs) by using Nd: YAG laser with two wavelengths (355 nm) and (532 nm) at energies (500 mJ) and (600 mJ) respectively, with the number of pulses (500, 600, 700, 800, and 900 pulses) for each wavelength. The properties of the prepared nanoparticles were investigated by UV-Vis, XRD, SEM with EDX, AFM, and FTIR analysis and then …
Simulation And Improvement Of The Efficiency Of The Cfts Solar Cell Using Scaps-1d, Hardan T. Ghanem Dr., Ayed N. Saleh, Muaamer A. Kamil
Simulation And Improvement Of The Efficiency Of The Cfts Solar Cell Using Scaps-1d, Hardan T. Ghanem Dr., Ayed N. Saleh, Muaamer A. Kamil
Karbala International Journal of Modern Science
A simulation of the AZO/i-ZnO/CdS/CFTS solar cell was carried out using SCAPS software. The results were obtained (Voc=0.55 V, Jsc=6.2 mA/cm2, FF=39 %, ɳ=1.35 %). Simulation results were compared with experimental research and we got convergence in the results (Voc=0.56 V, Jsc=6.5 mA/cm2, FF=37 %, ɳ=1.37 %). The simulated solar cell is improved by increasing the doping concentration and thickness of the buffer and absorption layers. The efficiency of the solar cell was improved to ɳ=4.29%, fill factor FF=52.92%, open circuit voltage Voc=0.74 V and short circuit current Jsc=10.8 mA/cm2
Molecular Characterization Of Wild Pleurotus Ostreatus (Mw457626) And Evaluation Of Β-Glucans Polysaccharide Activities, Ghazwan Q. Hasan Ph.D., Shimal Y. Abdulhadi Ph.D.
Molecular Characterization Of Wild Pleurotus Ostreatus (Mw457626) And Evaluation Of Β-Glucans Polysaccharide Activities, Ghazwan Q. Hasan Ph.D., Shimal Y. Abdulhadi Ph.D.
Karbala International Journal of Modern Science
Pleurotus ostreatus is a common cultivated edible mushroom worldwide. The fruiting bodies of P. ostreatus is a rich source of a β-glucans polysaccharide. The current study aimed to investigate the effectiveness of β-glucans as a natural polysaccharide produced by P. ostreatus as an antioxidant, antimicrobial, and anticancer. The molecular identification of P. ostreatus isolate was confirmed by Internal Transcribed Spacer (ITS) sequence. The sequence alignment and phylogenetic evolutionary relationship of studied ITS sequence were performed against some deposited sequences in GenBank. The analysis of high-performance liquid chromatography (HPLC) as well as the result of fourier transform infrared spectroscopy …
Phenanthrene: Establishing Lower And Upper Bounds To The Binding Energy Of A Very Weakly Bound Anion, Elisabeth Gruber, Siegfried Kollotzek, Stefan Bergmeister, Fabio Zappa, Milan Ončák, Paul Scheier, Olof E. Echt
Phenanthrene: Establishing Lower And Upper Bounds To The Binding Energy Of A Very Weakly Bound Anion, Elisabeth Gruber, Siegfried Kollotzek, Stefan Bergmeister, Fabio Zappa, Milan Ončák, Paul Scheier, Olof E. Echt
Faculty Publications
Quite a few molecules do not form stable anions that survive the time needed for their detection; their electron affinities (EA) are either very small or negative. How does one measure the EA if the anion cannot be observed? Or, at least, can one establish lower and upper bounds to their EA? We propose two approaches that provide lower and upper bounds. We choose the phenanthrene (Ph) molecule whose EA is controversial. Through competition between helium evaporation and electron detachment in HenPh- clusters, formed in helium nanodroplets, we estimate the lower bound of the vertical detachment energy …
A Microfluidic Approach For Synthesis And Kinetic Profiling Of Branched Gold Nanostructures, Qi Cai, Valentina Castagnola, Luca Boselli, Alirio Moura, Hender Lopez, Wei Zhang, João M. De Araújo, Kenneth A. Dawson
A Microfluidic Approach For Synthesis And Kinetic Profiling Of Branched Gold Nanostructures, Qi Cai, Valentina Castagnola, Luca Boselli, Alirio Moura, Hender Lopez, Wei Zhang, João M. De Araújo, Kenneth A. Dawson
Articles
Automatized approaches for nanoparticle synthesis and characterization represent a great asset to their applicability in the biomedical field by improving reproducibility and standardization, which help to meet the selection criteria of regulatory authorities. The scaled-up production of nanoparticles with carefully defined characteristics, including intrinsic morphological features, and minimal intra-batch, batch-to-batch, and operator variability, is an urgent requirement to elevate nanotechnology towards more trustable biological and technological applications. In this work, microfluidic approaches were employed to achieve fast mixing and good reproducibility in synthesizing a variety of gold nanostructures. The microfluidic setup allowed exploiting spatial resolution to investigate the growth evolution …
College Of Natural Sciences Newsletter, February 2022, College Of Natural Sciences
College Of Natural Sciences Newsletter, February 2022, College Of Natural Sciences
College of Natural Sciences Newsletters and Reports
Volume 3, Issue 2
Page 1 Dean's Message
Page 2 Awards & Recognition
Page 3-4 Media Coverage of CNS
Page 5- 6 Local Boy Scouts Earn Their Chemistry Merit Badges
Page 7-8 Mount Vernon Teacher Wins 2022 South Dakota Outstanding Physical Science Teacher Award
Page 9 Middle Schoolers Visit SDSU
Page 10 Microbiology Club Tours POET
Page 11 53rd Geography Convention
Page 12 Open PRAIRIE Data
Imidazole Derivative Improves Antioxidant Status And Causes Differential Alteration Of Redox-Status In Drosophila Melanogaster, Elizabeth Temidayo Oluwayemi, Oluwakemi Josephine Awakan, Abiodun Omokehinde Eseola, Winfried Plass, Oluyomi Stephen Adeyemi
Imidazole Derivative Improves Antioxidant Status And Causes Differential Alteration Of Redox-Status In Drosophila Melanogaster, Elizabeth Temidayo Oluwayemi, Oluwakemi Josephine Awakan, Abiodun Omokehinde Eseola, Winfried Plass, Oluyomi Stephen Adeyemi
Karbala International Journal of Modern Science
This study investigated the toxicity of a new imidazole compound, 1-(1,4,5-triphenyl-1H-imidazol-2-yl)-naphthalen-2-ol, through the evaluation of selected oxidative stress markers and antioxidants. Both male and female D. melanogaster (3–5 days old) were fed a diet containing the imidazole derivative (20, 50, and 100 mg IMZ/kg diet) for five days. After cessation of imidazole treatment, half the population of the imidazole-exposed flies was homogenized for biochemical assays, while the other half of the flies was allowed to have a normal diet for an additional five days to see if any induced effect would be resolved. Imidazole derivatives did not significantly …
Glcms Based Multi-Inputs 1d Cnn Deep Learning Neural Network For Covid-19 Texture Feature Extraction And Classification, Elaf Ali Abbood, Tawfiq A. Al-Assadi
Glcms Based Multi-Inputs 1d Cnn Deep Learning Neural Network For Covid-19 Texture Feature Extraction And Classification, Elaf Ali Abbood, Tawfiq A. Al-Assadi
Karbala International Journal of Modern Science
Coronavirus disease 2019 epidemic (COVID-19) is an infectious disease that appeared because of the newest version of discovered coronavirus. The advent and rapid spread of this disease over the world necessitated a concerted effort to contain and eradicate it. Computer Tomography (CT) imaging and X-Ray images are considered as one of the important medical examinations used for disease diagnosis. To speed up and confirm the correctness of the medical diagnosis, many artificial intelligence techniques and machine learning methods are proposed. In this paper, a new and efficient proposed system is introduced to extract appropriate and meaningful features for CT scans …
A Convenient Green Method To Synthesize Β-Carotene From Edible Carrot And Nanoparticle Formation, Baker A. Joda, Zena M. Abed Al-Kadhim, Hussian J. Ahmed, Alaa K. H. Al-Khalaf
A Convenient Green Method To Synthesize Β-Carotene From Edible Carrot And Nanoparticle Formation, Baker A. Joda, Zena M. Abed Al-Kadhim, Hussian J. Ahmed, Alaa K. H. Al-Khalaf
Karbala International Journal of Modern Science
A simple green chemistry approach was used to synthesize β-carotene from edible carrot without using solvent and heat. In this study, beta-carotene was extracted from edible carrots through a natural extraction method with several physical technical steps. The extracted sample was isolated using high-performance liquid chromatography (HPLC). A β-carotene peak was detected from HPLC with an absorbance maximum (2.135 mAU). The absorption of UV-Visible spectrum indicated that beta-carotene absorbs most strongly between 230-300 and 400-500 nm. The functional groups, namely, C=C (1649 cm-1), =C-H (900-900 cm-1) vibrations of antisymmetric deformation of CH3 groups and CH …
Machine Learning-Based Soft Computing Regression Analysis Approach For Crime Data Prediction, Rabia Musheer Aziz, Aftab Hussain, Prajwal Sharma, Pavan Kumar
Machine Learning-Based Soft Computing Regression Analysis Approach For Crime Data Prediction, Rabia Musheer Aziz, Aftab Hussain, Prajwal Sharma, Pavan Kumar
Karbala International Journal of Modern Science
The crime rate in India is considerably increasing day by day. Consequently, the data associated with crime is also increasing, opening doors for data-driven approaches to these data to extract insightful knowledge, which can help police and other law enforcement organizations of the country in crime control and prevention. Crime prediction using machine learning algorithms on crime data can predict region-wise crime counts. In this paper, a machine learning-based soft computing regression analysis approach for Indian Crime Data Analysis (ICDA) is proposed. Different regression algorithms, namely, Simple Linear Regression (SLR), Multiple Linear Regression (MLR), Decision Tree Regression (DTR), Support Vector …
Atomistic Simulation Of Na+ And Cl- Ions Binding Mechanisms To Tobermorite 14Å As A Model For Alkali Activated Cements, Ahmed Abdelkawy
Atomistic Simulation Of Na+ And Cl- Ions Binding Mechanisms To Tobermorite 14Å As A Model For Alkali Activated Cements, Ahmed Abdelkawy
Theses and Dissertations
The production of ordinary Portland cement (OPC) is responsible for ~8% of all man-made CO2 emissions. Unfortunately, due to the continuous increase in the number of construction projects, and since virtually all projects depend on hardened cement from the hydration of OPC as the main binding material, the production of OPC is not expected to decrease. Alkali-activated cement produced from the alkaline activation of byproducts of industries, such as iron and coal industries, or processed clays represents a potential substitute for OPC. However, the interaction of the reaction products of AAC with corrosive ions from the environment, such as Cl-, …
Resolving The Three-Dimensional Rotational And Translational Dynamics Of Single Molecules Using Radially And Azimuthally Polarized Fluorescence, Oumeng Zhang, Weiyan Zhou, Jin Lu, Tingting Wu, Matthew D. Lew
Resolving The Three-Dimensional Rotational And Translational Dynamics Of Single Molecules Using Radially And Azimuthally Polarized Fluorescence, Oumeng Zhang, Weiyan Zhou, Jin Lu, Tingting Wu, Matthew D. Lew
Electrical & Systems Engineering Publications and Presentations
We report a radially and azimuthally polarized (raPol) microscope for high detection and estimation performance in single-molecule orientation-localization microscopy (SMOLM). With 5000 photons detected from Nile red (NR) transiently bound within supported lipid bilayers (SLBs), raPol SMOLM achieves 2.9 nm localization precision, 1.5° orientation precision, and 0.17 sr precision in estimating rotational wobble. Within DPPC SLBs, SMOLM imaging reveals the existence of randomly oriented binding pockets that prevent NR from freely exploring all orientations. Treating the SLBs with cholesterol-loaded methyl-β-cyclodextrin (MβCD-chol) causes NR’s orientational diffusion to be dramatically reduced, but curiously NR’s median lateral displacements drastically increase from 20.8 to …
Directions For The Development Of Personal Subsidiary Farms And Increasing Sources Of Income In The Future, Yakupov Kabil
Directions For The Development Of Personal Subsidiary Farms And Increasing Sources Of Income In The Future, Yakupov Kabil
Karakalpak Scientific Journal
This article discusses the features of the development of personal subsidiary farms in modern conditions, defines their functions in the agrarian economy and in the life of society as a whole. Modern agrarian policy provides for the development of various forms of management, including personal subsidiary farms. Personal subsidiary farms are an organic part of the agricultural sectors and make a significant contribution to solving the food problem of the country. The provision of the population with food products is carried out by personal subsidiary farms through their own consumption, as well as the sale of surplus products.
Spectroscopic Properties Relevant To Astronomical And Laboratory Detection Of Mch And Mch+ (M = Al, Mg), Vincent J. Esposito, Tarek Trabelsi, Joseph S. Francisco
Spectroscopic Properties Relevant To Astronomical And Laboratory Detection Of Mch And Mch+ (M = Al, Mg), Vincent J. Esposito, Tarek Trabelsi, Joseph S. Francisco
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
New spectroscopic parameters have been calculated to aid in the laboratory and observational detection of AlCH, AlCH+, MgCH, MgCH+, and their deuterated analogs. All species exist in linear geometry except for AlCH+, which exhibits a bent structure. Rotational frequencies have been calculated and the transition with maximum intensity is discussed for three temperature regions present in space: 100 K for a central circumstellar envelope (CSE), 30 K for an outer CSE, and 3 K indicative of the interstellar medium. Pertinent frequencies range from 25 to 250 GHz, depending on the species. At 30 K, the most …
Heterogenous Reduction Of Co2 Over Boron-Rich Alb2, Jose C. Berger
Heterogenous Reduction Of Co2 Over Boron-Rich Alb2, Jose C. Berger
Honors Undergraduate Theses
Evidence suggests that the recent drastic changes in the global climate have been caused by greenhouse gases, especially CO2. As a result, scientists are aiming to develop processes that either minimize the production of these gases or convert them into products of higher value. To that end, the catalytic properties of a two-dimensional boron-rich material were investigated. Herein is reported that such a material can reduce CO2 into benzene, C3 species, and C4 species at relatively low temperatures (225-450 ℃) and pressures (0.38 MPa). Current data suggest that a low-temperature induction period (e.g., 225 ℃) …
Inhibitors Of Alpha-Synuclein Aggregation, Jemil Ahmed
Inhibitors Of Alpha-Synuclein Aggregation, Jemil Ahmed
Electronic Theses and Dissertations
Alpha-Synuclein (αS) – a neuronal, disordered, presynaptic protein – aggregates into amyloid fibrils and accumulates in the substantia nigra pars compacta of Parkinson's Disease (PD) patients. The aggregation and accumulation of αS amyloid fibrils leads to death of dopaminergic neurons; a hallmark of PD. Although it’s not clear why αS aggregates, prior studies have found that intrastriatal injection of fibril alone is sufficient to cause PD pathology in mouse and non-human primates models. These observations implicate αS as a therapeutic target against PD.
Unfortunately, there are three caveats when attempting to target αS. First, αS is a neuronal protein expressed …
Development Of Scent Detection And Categorization Algorithm Using Gas Chromatography And Machine Learning, Alex Driehaus
Development Of Scent Detection And Categorization Algorithm Using Gas Chromatography And Machine Learning, Alex Driehaus
Mahurin Honors College Capstone Experience/Thesis Projects
There are many looking to connect human senses to quantifiable data. Scents are categorized by their descriptions into scent families. These include citrus, floral, and woody. Similar descriptors designate similar families, while different descriptors correlate with different families. Dravnieks compiled an Atlas of chemical descriptors [1]. Such descriptors are cinnamon, fruity, and cadaverous. By analyzing the applicability of these descriptors, the chemicals will be sorted into their scent families.
Gas chromatography generates sample-specific signals of voltage over time. Chromatograms of known scents will serve as a basis for a convolutional neural network. This algorithm will be trained on these signals …
Photophysics Of Metalloporphyrins Strongly Coupled To Cavity Photons, Aleksandr Avramenko
Photophysics Of Metalloporphyrins Strongly Coupled To Cavity Photons, Aleksandr Avramenko
Wayne State University Dissertations
This dissertation will discuss the photophysics of metalloporphyrins, mainly CuTPP, ZnTPP, and H2TPP under strong light-matter coupling conditions. Strong light-matter coupling was achieved by embedding the previously mentioned chromophores into a spun coated PMMA polymer coating which is then incorporated as a spacer layer in a FabryPérot nano-cavity. The cavity thickness is chosen so that the cavity photon is of similar energy as the B, or Soret transition (2nd excited state) of the porphyrin molecule. The exchange of energy between the cavity photon and the molecular mode leads to the formation of polariton states.
Increasing the concentration of the molecules …
Magnetoexcitons In Phosphorene Monolayers, Bilayers, And Van Der Waals Heterostructures, Roman Ya. Kezerashvili, Anastasia Spiridonova, Andrew Dublin
Magnetoexcitons In Phosphorene Monolayers, Bilayers, And Van Der Waals Heterostructures, Roman Ya. Kezerashvili, Anastasia Spiridonova, Andrew Dublin
Publications and Research
We study direct and indirect excitons in Rydberg states in phosphorene monolayers, bilayers, and van der Waals (vdW) heterostructure in an external magnetic field within the framework of the effective-mass approximation. The magnetic field is applied perpendicular to the monolayer or heterostructure and is varied between 0 and 60 T. Binding energies of magnetoexcitons are calculated by numerical integration of the Schrödinger equation using the Rytova-Keldysh potential for direct magnetoexcitons and both the Rytova-Keldysh and Coulomb potentials for indirect magnetoexcitons. The latter aids in the understanding of the role of screening in phosphorene. We report the magnetic field energy contribution …
College Of Natural Sciences Newsletter, January 2022, College Of Natural Sciences
College Of Natural Sciences Newsletter, January 2022, College Of Natural Sciences
College of Natural Sciences Newsletters and Reports
Volume 3, Issue 1
Page 1 Dean's Message
Page 2 Awards & Recognition
Page 3 Outreach in Harrisburg, SD
Page 4 Geography Alumni Named Among 'Highly Cited Researchers', 53rd Annual Geography Convention
Page 5 Geography Convention Speakers, Brookings/SDSU Day
Page 6 Media Coverage of Natural Sciences
Page 7 Open PRAIRIE Data
Page 8 Fall 2021 Dean's List
Page 9 Fall 2021 Dean's List, cont.
Using Powder Diffraction To Give Insight Into Structures Of Ir2(Diisocyanomenthane)4x2 [Dimen] (X = Cl; Pf6; Bph4), Mairead Brownell
Using Powder Diffraction To Give Insight Into Structures Of Ir2(Diisocyanomenthane)4x2 [Dimen] (X = Cl; Pf6; Bph4), Mairead Brownell
Scripps Senior Theses
Ir2(dimen)42+ (dimen = 1,8-diisocyanomenthane) has been studied extensively as model compound to better understand catalysis of photochemical reactions. Although Ir2(dimen)42+ has been used primarily to observe the photophysical changes of metal-metal transitions, it gives great insight into the transitions that allow other d8-d8 metal complexes to undergo photochemical processes and generate hydrogen gas. The large visible range by which Ir2(dimen)42+ (1) can be electronically excited in solution is indicative of its two solution phase ground states, which interestingly have been hypothesized to resemble two unique packing structures observed in the powder state. In this study, the powder diffraction patterns of …
Theoretical Investigation On Optical Properties Of 2d Materials And Mechanical Properties Of Polymer Composites At Molecular Level, Geeta Sachdeva
Theoretical Investigation On Optical Properties Of 2d Materials And Mechanical Properties Of Polymer Composites At Molecular Level, Geeta Sachdeva
Dissertations, Master's Theses and Master's Reports
The field of two-dimensional (2D) layered materials provides a new platform for studying diverse physical phenomena that are scientifically interesting and relevant for technological applications. Theoretical predictions from atomically resolved computational simulations of 2D materials play a pivotal role in designing and advancing these developments. The focus of this thesis is 2D materials especially graphene and BN studied using density functional theory (DFT) and molecular dynamics (MD) simulations. In the first half of the thesis, the electronic structure and optical properties are discussed for graphene, antimonene, and borophene. It is found that the absorbance in (atomically flat) multilayer antimonene (group …
From Evaluating The Performance Of Approximations In Density Functional Theory To A Machine Learning Design, Pedram Tavazohi
From Evaluating The Performance Of Approximations In Density Functional Theory To A Machine Learning Design, Pedram Tavazohi
Graduate Theses, Dissertations, and Problem Reports (ETD)
Density-functional theory (DFT) has gained popularity because of its ability to predict the properties of a large group of materials a priori. Even though DFT is exact, there are inaccuracies introduced into the theory due to the approximations in the exchange-correlation (XC) functionals. Over the 50 years of its existence, scientists have tried to improve the design of the XC functionals. The errors introduced by these functionals are not consistent across all types of solid-state materials. In this project, a high throughput framework was utilized to compare the theoretical DFT predictions with the experimental results available in the Inorganic Crystal …
A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath
A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath
Chemistry & Biochemistry Faculty Publications
We report and interpret recently recorded high-resolution infrared spectra for the fundamentals of the CH2 scissors and CH stretches of gas phase cyclopentane at −26.1 and −50 ○C, respectively. We extend previous theoretical studies of this molecule, which is known to undergo barrierless pseudorotation due to ring puckering, by constructing local mode Hamiltonians of the stretching and scissor vibrations for which the frequencies, couplings, and linear dipoles are calculated as functions of the pseudorotation angle using B3LYP/6-311++(d,p) and MP2/cc-pVTZ levels of theory. Symmetrization (D5h) of the vibrational basis sets leads to simple vibration/pseudorotation Hamiltonians whose solutions …
The Hitran2020 Molecular Spectroscopic Database, I. E. Gordon, L. S. Rothman, R. J. Hargreaves, R. Hashemi, E. V. Karlovets, F. M. Skinner, E. K. Conway, C. Hill, R. V. Kochanov, Y. Tan, P. Wcisło, A.A. Finenko, K. Nelson, P. F. Bernath, M. Birk, V. Boudon, A. Campargue, K. V. Chance, A. Coustenis, B. J. Drouin, J.-M. Flaud, R. R. Gamache, J. T. Hodges, D. Jacquemart, E. J. Mlawer, A. V. Nikitin, V.I. Perevalov, M. Rotger, J. Tennyson, G. C. Toon, H. Tran, V. G. Tyuterev, E. M. Adkins, A. Baker, A. Barbe, E. Canè, A. G. Császár, A. Dudaryonok, O. Egorov, A. J. Fleisher, H. Fleurbaey, A. Foltynowicz, T. Furtenbacher, J. J. Harrison, J.M. Hartmann, V.- M. Horneman, X. Huang, T. Karman, J. Karns, S. Kassi, I. Kleiner, V. Kofman, F. Kwabia-Tchana, N.N. Lavrentieva, T. J. Lee, D. A. Long, A. A. Lukashevskaya, O. M. Lyulin, V. Yu Makhnev, W. Matt, S. T. Massie, M. Melosso, S. N. Mikhailenko, D. Mondelain, H.S.P. Müller, O. V. Naumenko, A. Perrin, O. L. Polyansky, E. Raddaoui, P. L. Raston, Z. D. Reed, M. Rey, C. Richard, R. Tóbiás, I. Sadiek, D. W. Schwenke, E. Starikova, K. Sung, F. Tamassia, S. A. Tashkun, J. Vander Auwera, I.A. Vasilenko, A.A. Vigasin, G.L. Villanueva, B. Vispoel, G. Wagner, A. Yachmenev, S. N. Yurchenko
The Hitran2020 Molecular Spectroscopic Database, I. E. Gordon, L. S. Rothman, R. J. Hargreaves, R. Hashemi, E. V. Karlovets, F. M. Skinner, E. K. Conway, C. Hill, R. V. Kochanov, Y. Tan, P. Wcisło, A.A. Finenko, K. Nelson, P. F. Bernath, M. Birk, V. Boudon, A. Campargue, K. V. Chance, A. Coustenis, B. J. Drouin, J.-M. Flaud, R. R. Gamache, J. T. Hodges, D. Jacquemart, E. J. Mlawer, A. V. Nikitin, V.I. Perevalov, M. Rotger, J. Tennyson, G. C. Toon, H. Tran, V. G. Tyuterev, E. M. Adkins, A. Baker, A. Barbe, E. Canè, A. G. Császár, A. Dudaryonok, O. Egorov, A. J. Fleisher, H. Fleurbaey, A. Foltynowicz, T. Furtenbacher, J. J. Harrison, J.M. Hartmann, V.- M. Horneman, X. Huang, T. Karman, J. Karns, S. Kassi, I. Kleiner, V. Kofman, F. Kwabia-Tchana, N.N. Lavrentieva, T. J. Lee, D. A. Long, A. A. Lukashevskaya, O. M. Lyulin, V. Yu Makhnev, W. Matt, S. T. Massie, M. Melosso, S. N. Mikhailenko, D. Mondelain, H.S.P. Müller, O. V. Naumenko, A. Perrin, O. L. Polyansky, E. Raddaoui, P. L. Raston, Z. D. Reed, M. Rey, C. Richard, R. Tóbiás, I. Sadiek, D. W. Schwenke, E. Starikova, K. Sung, F. Tamassia, S. A. Tashkun, J. Vander Auwera, I.A. Vasilenko, A.A. Vigasin, G.L. Villanueva, B. Vispoel, G. Wagner, A. Yachmenev, S. N. Yurchenko
Chemistry & Biochemistry Faculty Publications
The HITRAN database is a compilation of molecular spectroscopic parameters. It was established in the early 1970s and is used by various computer codes to predict and simulate the transmission and emission of light in gaseous media (with an emphasis on terrestrial and planetary atmospheres). The HITRAN compilation is composed of five major components: the line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, experimental infrared absorption cross-sections (for molecules where it is not yet feasible for representation in a line-by-line form), collision-induced absorption data, aerosol indices of refraction, and general tables (including partition sums) that apply globally to the data. …
Charge Transfer Mediated Triplet Excited State Formation In Donor-Acceptor-Donor Bodipy: Application For Recording Of Holographic Structures In Photopolymerizable Glass, Tatsiana Mikulchyk, Safakath Karuthedath, Catherine S.P. De Castro, Andrey A. Buglak, Aimee Sheehan, Aaron Wieder, FréDéRic Laquai, Izabela Naydenova, Mikhail Filatov
Charge Transfer Mediated Triplet Excited State Formation In Donor-Acceptor-Donor Bodipy: Application For Recording Of Holographic Structures In Photopolymerizable Glass, Tatsiana Mikulchyk, Safakath Karuthedath, Catherine S.P. De Castro, Andrey A. Buglak, Aimee Sheehan, Aaron Wieder, FréDéRic Laquai, Izabela Naydenova, Mikhail Filatov
Articles
Donor–acceptor–donor BODIPY triads bearing anthracene or pyrene as electron donating subunits were prepared through a stepwise synthesis. Photoinduced electron transfer and formation of long-lived triplet excited states via spin–orbit charge transfer intersystem crossing (SOCT-ISC) was studied by steady-state and ultrafast pump-probe spectroscopy and further supported by DFT computations. New BODIPYs were found to form triplet states and sensitize singlet oxygen in both polar and non-polar solvents which is unusual for photosensitizers operating via SOCT-ISC. BODIPY-anthracene triad (ABA) was used as a photosensitizer component in a photopolymerizable glass that was prepared by a four-step sol–gel process. ABA in combination with N …
Characterization Of Nanoparticles Using Inductively-Coupled Plasma Mass Spectrometry, Jabez D. Campbell
Characterization Of Nanoparticles Using Inductively-Coupled Plasma Mass Spectrometry, Jabez D. Campbell
Graduate Theses/Dissertations
Nanomaterials are a relatively new class of materials that have many applications which span a wide host of fields from medical products to consumer products. The possible compositions and forms of nanomaterials are just as varied as the applications. Therefore, a versatile characterization method is needed for researchers and regulators alike to ensure nanomaterials are properly used. Single Particle Inductively Coupled Plasma Mass Spectrometry (SP-ICP-MS) is a functional method that could fill the characterization need in the nanomaterial research field. Using data from both SP-ICP-MS tests and data from literature established characterization methods, the viability of making SP-ICP-MS the standard …