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Articles 301 - 330 of 1827
Full-Text Articles in Chemistry
Technology Development And Materials Research To Enable A Sustainable D-T Fusion Energy Fuel Cycle, Brenda L. Garcia-Diaz, David Babineau, James Klein, Robert Allgood, George Larsen, Holly B. Flynn, Dale Hitchcock, Tim Krentz, Chris Dandeneau, Lucas Angelette, Robert Sindelar
Technology Development And Materials Research To Enable A Sustainable D-T Fusion Energy Fuel Cycle, Brenda L. Garcia-Diaz, David Babineau, James Klein, Robert Allgood, George Larsen, Holly B. Flynn, Dale Hitchcock, Tim Krentz, Chris Dandeneau, Lucas Angelette, Robert Sindelar
Journal of the South Carolina Academy of Science
No abstract provided.
College Of Natural Sciences Newsletter, Spring 2024, College Of Natural Sciences
College Of Natural Sciences Newsletter, Spring 2024, College Of Natural Sciences
College of Natural Sciences Newsletters and Reports
Page 1 Dean's Message
Page 2 New Faculty and New Club on Campus
Page 3 2024 URSCAD Awards
Page 4 Day of Scholars 2024
Page 5 SDSU's First Representation at the Association for Anatomy's 2024
Annual Conference
Page 6-7 2024 Honor's College Convocation
Page 8 Other Student Activities
Page 9 Faculty Awards
Page 10-11 Other News
Page 12 2024 Drone Day and American Association of Geographers Convention - Hawaii
Page 13 55th Annual Geography Convention
Page 14 2024 Stethoscope Ceremony
Page 15 Open PRAIRIE Data
Development Of A High-Resolution Mid-Infrared Spectroscopy Apparatus For The Study Of Methane And Other Astrochemical Molecules., S M Shah Riyadh
Development Of A High-Resolution Mid-Infrared Spectroscopy Apparatus For The Study Of Methane And Other Astrochemical Molecules., S M Shah Riyadh
Electronic Theses and Dissertations
This research documents steps towards building a novel spectroscopic technique, namely, cavity-enhanced double-resonance (CEDR) spectroscopy, for investigating methane (CH4) and other molecules with significance in astrochemistry. These efforts focus on tackling the complexities of their ro-vibrational energy levels and the inefficiencies in analyzing vibrational spectra, particularly for molecules with high symmetry and strong intramolecular interactions. In the CEDR spectroscopy, the first photon, generated by a continuous-wave optical parametric oscillator (CW-OPO) locked to a Doppler-free saturation absorption line, excites the molecule from its ground level to a selected excited ro-vibrational (rotational-vibrational) level, e.g., that of the asymmetric CH-stretch mode. …
Magnetic Properties Of Zgnrs With Nitrogen And Fluorine Adsorbates, A Computational Study, Justin Petit
Magnetic Properties Of Zgnrs With Nitrogen And Fluorine Adsorbates, A Computational Study, Justin Petit
Electronic Theses and Dissertations
Imposing dimensional restrictions on graphene sheets and adding impurities can give rise to carbon nanostructures with magnetic properties. In this work, zigzag graphene nanoribbons, zGNRs, with nitrogen and fluorine adatoms are investigated for magnetic properties of interest for spin devices. Geometry optimizations were done determining which position along a zGNR electrode that N and F would favorably attach to. Edge positions were determined as the most stable attachment site. M-cell zGNR electrodes (M = 1-3) edge-functionalized by N and F adatoms were investigated with respect to their band structures and spin densities in antiferromagnetic and ferromagnetic, AFM and FM, configurations. …
Photoelectic Driven Decomposition Of Uracil Via Hard X-Ray Irradiation, Trimaan Malik
Photoelectic Driven Decomposition Of Uracil Via Hard X-Ray Irradiation, Trimaan Malik
UNLV Theses, Dissertations, Professional Papers, and Capstones
Radiation damage into biological samples creates substantial challenges across a wide range of fields, from biochemistry to materials science. This comprehensive study investigates the effects of x-ray irradiation on uracil, the only nucleobase exclusive to Ribonucleic acid (RNA), to understand how doping with 10% (by mass) of specific powdered elements impacts the sustained radiation damage. The experiments were conducted at the Brockhouse Undulator Beamline of the Canadian Light Source synchrotron. Virgin and doped uracil samples were irradiated with hard x-rays, above their respective absorption edges, and studied with x-ray diffraction to compare their decomposition behaviors. The Uracil reflections on the …
Electrochemical Modulation Of Surface Plasmon Wave To Investigate Dna-Based Sensing Platforms And Detection Of Sars-Cov2., Anil Sharma
Electronic Theses and Dissertations
This study offers a thorough comparative analysis of optical and electrical signaling strategies for assessing the electrochemical properties of different redox-labeled DNA-based biosensing platforms. In addition, it illustrates the development of an optical interrogation technique with electrochemical modulation of surface plasmon waves (ECM-SPW) as a route for analyzing and implementing DNA-based hybridization sensors. For those quantitative analyses, we chose a model sensing platform composed of a methylene blue (MB)-modified single-stranded DNA (ssDNA) signaling probe and an unlabeled capture ssDNA probe that complements the signaling probe. Two types of signaling probes were employed in this work: one with MB attached to …
A Comparative Analysis Of Field Electron Emission From Carbon Black Embedded Within Insulated Copper Hollowed Wires And Glass Tubes, Hatem A. Al-Braikat, Ahmad M D Jaber, Adel M. Abuamr, Mazen A. Madanat, Aseel A. Al-Jbarart, M-Ali H. Al-Akhras, Marwan S. Mousa
A Comparative Analysis Of Field Electron Emission From Carbon Black Embedded Within Insulated Copper Hollowed Wires And Glass Tubes, Hatem A. Al-Braikat, Ahmad M D Jaber, Adel M. Abuamr, Mazen A. Madanat, Aseel A. Al-Jbarart, M-Ali H. Al-Akhras, Marwan S. Mousa
Karbala International Journal of Modern Science
In this study, two different methods are used to investigate carbon black as a cold field electron emitter. The first method is to incorporate carbon black into a specially designed insulated copper hollowed wire. The wire has a cup-shaped structure created by electrochemical etching. The second method involves the incorporation of carbon black into narrow glass tubes. A Comparative analyses is carried out to evaluate the effectiveness of each method. To evaluate the performance of the samples, the current-voltage characteristics will be examined using field electron microscopes. This analysis will provide an understanding of the emission of the carbon black …
Reply To: On The Statistical Foundation Of A Recent Single Molecule Fret Benchmark, Dorothy A. Erie, Lydia Kisley, Dushani Dunukara
Reply To: On The Statistical Foundation Of A Recent Single Molecule Fret Benchmark, Dorothy A. Erie, Lydia Kisley, Dushani Dunukara
Faculty Scholarship
In their ‘Matters Arising’ manuscript, Saurabh et al. discuss two issues related to single-molecule Förster resonance energy transfer (smFRET) experiments: the use of the Gaussian noise approximation and spectral crosstalk. Their arguments are based on simulations obtained with parameters that differ significantly from the typical conditions measured experimentally, and, thus, from the regime included in the original study (Götz et al.1). In addition, they make claims about our multi-lab blind study that we would like to rectify. In Table 1, we provide a list of specific statements made by Saurabh et al. with our respective explanations.
Surface Treatments' Effects On The Capacitor's Dielectric Performance Under Electro-Thermal Stresses, Haider. M. Umran, Feipeng Wang
Surface Treatments' Effects On The Capacitor's Dielectric Performance Under Electro-Thermal Stresses, Haider. M. Umran, Feipeng Wang
Karbala International Journal of Modern Science
Biaxial-oriented polypropylene (BOPP) films are characterized by unfavorable aging behavior because of their poor susceptibility to high temperatures, humidity, and high electric fields. This makes them unqualified to withstand harsh operating conditions, such as in capacitor applications. This study investigates the impact of annealing BOPP samples at 100 °C for five hours after fluorination at different times (15, 30, and 60 minutes) on their electrical and mechanical performance under electro-thermal stresses. Scanning electron microscope (SEM) images confirm that there is an increase in surface roughness and the formation of a dense layer of fluorine-containing groups monotonically with fluorination time. So, …
Piezochromic Behavior Of 2,4,6-Triphenylpyrylium Tetrachloroferrate, Princess Canasa, David King, Petrika Cifligu, Adrian F. Lua Sanchez, Si L. Chen, Haesook Han, Trimaan Malik, Brant Billinghurst, Jianbao Zhao, Changyong Park, George R. Rossman, Michael Pravica, Pradip K. Bhowmik, Egor Evlyukhin
Piezochromic Behavior Of 2,4,6-Triphenylpyrylium Tetrachloroferrate, Princess Canasa, David King, Petrika Cifligu, Adrian F. Lua Sanchez, Si L. Chen, Haesook Han, Trimaan Malik, Brant Billinghurst, Jianbao Zhao, Changyong Park, George R. Rossman, Michael Pravica, Pradip K. Bhowmik, Egor Evlyukhin
Chemistry and Biochemistry Faculty Research
In advanced photonics, there is a growing interest in piezochromic luminescent materials that exhibit multicolor switching, driven by their potential applications in optical recording, memory, and sensors. Here, the piezochromic behavior of 2,4,6-triphenylpyrylium tetrachloroferrate (Py-FeCl4) under high pressures from 0 to 9 GPa is reported. The observed multicolor changing properties of Py-FeCl4 (yellow–orange–red–maroon–black) are found to be fully reversible upon decompression to ambient conditions. The mechanism of Py-FeCl4 piezochromism is investigated via Raman, infrared, and UV–vis spectroscopy combined with powder X-ray Diffraction. The absence of structural phase transitions as well as the abrupt shifts of bandgap …
Development Of Colpitts Self Oscillator, Jasmin Billingsley
Development Of Colpitts Self Oscillator, Jasmin Billingsley
Undergraduate Research Conference at Missouri S&T
Topological materials can serve as promising platforms for next-generation technology. Magnetism in such systems is often a consequence of emergent quantum phenomena, and the traditional framework is insufficient to fully describe their magnetic properties. In this project, we will perform precision magnetic measurements utilizing the Colpitts self-oscillator to determine the temperature- and field-dependent AC magnetic susceptibility in the topological magnetic materials. The collective knowledge learned from this proposed research would shed light on the understanding of exotic magnetism in topological materials, potentially leading to new physics of magnetism.
Development Of Colpitts Self Oscillator For Measurement Of Magnetic And Superconducting Properties, Jasmine Billingsley
Development Of Colpitts Self Oscillator For Measurement Of Magnetic And Superconducting Properties, Jasmine Billingsley
Undergraduate Research Conference at Missouri S&T
Topological materials can serve as promising platforms for next-generation technology. Magnetism in such systems is often a consequence of emergent quantum phenomena, and the traditional framework is insufficient to fully describe their magnetic properties. In this project, we will perform precision magnetic measurements utilizing the Colpitts self-oscillator to determine the temperature- and field-dependent AC magnetic susceptibility in the topological magnetic materials. The collective knowledge learned from this proposed research would shed light on the understanding of exotic magnetism in topological materials, potentially leading to new physics of magnetism.
Group Iv Topological Quantum Alloy And The Role Of Short-Range Order: The Case Of Ge-Rich Ge1–XPbX, Yunfan Liang, Shunda Chen, Xiaochen Jin, Damien West, Shui-Qing Yu, Tianshu Li, Shengbai Zhang
Group Iv Topological Quantum Alloy And The Role Of Short-Range Order: The Case Of Ge-Rich Ge1–XPbX, Yunfan Liang, Shunda Chen, Xiaochen Jin, Damien West, Shui-Qing Yu, Tianshu Li, Shengbai Zhang
Electrical Engineering and Computer Science Faculty Publications and Presentations
Despite the explosion of interest in topological materials over the last decades, their applications remain limited due to challenges in growth and incorporation with today’s microelectronics. As a potential bridge to close this gap, we investigate the group-IV alloy Ge1–xPbx, in the Ge-rich condition using density functional theory and show that relatively low concentrations of Pb (~9.4%) can lead to a topological phase transition. Furthermore, the calculation of the Z2 invariant for both the random alloy and the alloy with short-range order (SRO) indicate that the topological phase of the material can be directly modified …
Spectroscopy Of Atmospheres, Randika Dodangodage
Spectroscopy Of Atmospheres, Randika Dodangodage
Physics Theses & Dissertations
Spectroscopic methods are used to study planetary and stellar atmospheres. The information obtained from spectroscopic studies provides insight into atmospheric compositions and dynamics, which can be used to model and characterize atmospheres and climates. Laboratory-recorded absorption cross-sections are needed to interpret the recorded spectra of planets and stars. High resolution ethane, neopentane, propene, and n-butane spectra have been recorded, and absorption cross-sections have been provided for different temperatures and total pressures with different broadening gases, including hydrogen, helium, and nitrogen. The Atmospheric Chemistry Experiment (ACE) satellite orbits Earth and records spectra through solar occultation limb observations. HOCl is a chlorine …
Development Of On-The-Fly Quasi-Steady State Approximation For Chemical Kinetics In Cfd, Abhinav Balamurugan
Development Of On-The-Fly Quasi-Steady State Approximation For Chemical Kinetics In Cfd, Abhinav Balamurugan
Doctoral Dissertations and Master's Theses
This study analyzes the feasibility of On-The-Fly Quasi-Steady-State Approximation (OTF-QSSA) application for solving chemical kinetics within Computational Fluid Dynamics (CFD) simulations, aiming to reduce the computational demand of detailed mechanisms. An algorithm that dynamically identifies and designates Quasi-Steady-State (QSS) species at specific grid locations and instances during the simulation was developed. With this information, our method pseudo-delays the advancement of concentrations for these QSS species—effectively setting their rate of concentration change to zero for a set number iteration before updating using the detailed mechanism and thereby omitting the computationally intensive processes typically required for their calculation during those skipped iteration. …
Shorting At Long Duration: Impact Of Extended Discharge Capacity On Battery Solid Electrolytes, Ryan C. Hill, Amanda S. Peretti, Leo J. Small, Erik D. Spoerke, Yang-Tse Cheng
Shorting At Long Duration: Impact Of Extended Discharge Capacity On Battery Solid Electrolytes, Ryan C. Hill, Amanda S. Peretti, Leo J. Small, Erik D. Spoerke, Yang-Tse Cheng
Chemical and Materials Engineering Faculty Publications
Long-duration energy storage (LDES) is critical to a stable, resilient, and decarbonized electric grid. While batteries are emerging as important LDES devices, extended, high-power discharges necessary for cost-competitive LDES present new materials challenges. Focusing on a new generation of low-temperature molten sodium batteries, we explore here unique phenomena related to long-duration discharge through a well-known solid electrolyte, NaSICON. Specifically, molten sodium symmetric cells at 110 ° C were cycled at 0.1 A cm−2 for 1–23 h discharges. Longer discharges led to unstable overpotentials, reduced resistances, and decreased electrolyte strength, caused by massive sodium penetration not observed in shorter duration discharges. …
Analyzing The Influence Of Design And Operating Conditions On Combustion And Emissions In Premixed Turbulent Flames: A Comprehensive Review, Medhat Elkelawy Prof. Dr. Eng., E. A. El Shenawy Prof. Dr., Hagar Alm-Eldin Bastawissi, Ibrahim Ali Mousa Eng., Mohamed M. Abdel-Raouf Ibrahim Dr. Eng.
Analyzing The Influence Of Design And Operating Conditions On Combustion And Emissions In Premixed Turbulent Flames: A Comprehensive Review, Medhat Elkelawy Prof. Dr. Eng., E. A. El Shenawy Prof. Dr., Hagar Alm-Eldin Bastawissi, Ibrahim Ali Mousa Eng., Mohamed M. Abdel-Raouf Ibrahim Dr. Eng.
Journal of Engineering Research
Recently, premixed combustion has dominated the field of combustion research worldwide. The current work is a review that addresses the effects of design and operating regimes on the combustion and emission characteristics of premixed turbulent flames. The study accounts for recent developments aimed at overcoming combustor operability issues that influence emissions and flame stability. Various experimental setups have been utilized in investigations, with results pertaining to performance and emissions concerning premixed turbulent flames. Thus, the objective of this paper is to provide a comprehensive review of the effects of swirl vane angles and equivalence fuel-air ratios for tests conducted both …
An Exploration Of Secondary School Science Teacher’S Epistemological Belief In Malang, Anindyta Nur Rizkyana Safitri, Endang Purwaningsih, Nuril Munfaridah, Alif Darmawan
An Exploration Of Secondary School Science Teacher’S Epistemological Belief In Malang, Anindyta Nur Rizkyana Safitri, Endang Purwaningsih, Nuril Munfaridah, Alif Darmawan
Jurnal Pendidikan Sains
The objective of this study is to delve into the epistemological convictions of secondary school science teachers in Malang across various tenures, namely senior teachers, junior teachers, and pre-service teachers. Employing an explanatory sequential design model, the research employs a mixed-method approach. Quantitative data, gathered through the administration of the Scientific Epistemology Beliefs Questionnaire (n = 30), are complemented by qualitative insights drawn from interviews with teachers (n = 6) concerning their epistemological orientations. Descriptive statistics and qualitative analyses, utilizing an a priori coding technique aligned with the study’s conceptual framework, were conducted on the interview data. Quantitative analysis reveals …
Myeloid-Derived Suppressor Cell Mitochondrial Fitness Governs Chemotherapeutic Efficacy In Hematologic Malignancies, Saeed Daneshmandi, Jee Eun Choi, Qi Yan, Cameron R. Macdonald, Manu Pandey, Mounika Goruganthu, Nathan Roberts, Prashant K. Singh, Richard M. Higashi, Andrew N. Lane, Teresa W-M Fan, Jianmin Wang, Philip L. Mccarthy, Elizabeth A. Repasky, Hemn Mohammadpour
Myeloid-Derived Suppressor Cell Mitochondrial Fitness Governs Chemotherapeutic Efficacy In Hematologic Malignancies, Saeed Daneshmandi, Jee Eun Choi, Qi Yan, Cameron R. Macdonald, Manu Pandey, Mounika Goruganthu, Nathan Roberts, Prashant K. Singh, Richard M. Higashi, Andrew N. Lane, Teresa W-M Fan, Jianmin Wang, Philip L. Mccarthy, Elizabeth A. Repasky, Hemn Mohammadpour
Markey Cancer Center Faculty Publications
Myeloid derived suppressor cells (MDSCs) are key regulators of immune responses and correlate with poor outcomes in hematologic malignancies. Here, we identify that MDSC mitochondrial fitness controls the efficacy of doxorubicin chemotherapy in a preclinical lymphoma model. Mechanistically, we show that triggering STAT3 signaling via β2-adrenergic receptor (β2-AR) activation leads to improved MDSC function through metabolic reprogram- ing, marked by sustained mitochondrial respiration and higher ATP generation which reduces AMPK signaling, altering energy metabolism. Furthermore, induced STAT3 signaling in MDSCs enhances glutamine consumption via the TCA cycle. Metabolized glutamine generates itaconate which downregulates mitochondrial reactive oxygen species via regulation of …
Fostering Engagement And Learning Outcomes: A Comparative Analysis Of Ethnochemical And Stem-Based Pedagogies For Chemistry Learning In Vocational High Schools, Maulidya Husnul Khatimah, Lismi Animatul Chisbiyah
Fostering Engagement And Learning Outcomes: A Comparative Analysis Of Ethnochemical And Stem-Based Pedagogies For Chemistry Learning In Vocational High Schools, Maulidya Husnul Khatimah, Lismi Animatul Chisbiyah
Jurnal Pendidikan Sains
In contemporary education, the perceived difficulty of learning chemistry, attributed to its abstract nature, remains a challenge for many students. This difficulty is compounded by a notable lack of alignment between chemistry concepts and students’ daily experiences, despite the inherent relevance of chemistry to their everyday phenomena. Building on previous research affirming the efficacy of ethnochemical modules in enhancing student learning and achievement, this study investigates the suitability of a STEM-based approach for chemistry education, particularly in vocational high school. The research methodology employs a literature study method, utilizing the PICO(T) framework for keyword selection. A rigorous review and analysis …
Differences In Biology Students’ Self-Regulation During Online And Offline Learning And Its Relationship To Learning Outcomes, Adi Kus Rochman Jk, Dwi Listyorini, Fatchur Rohman, Yessi Affriyenni
Differences In Biology Students’ Self-Regulation During Online And Offline Learning And Its Relationship To Learning Outcomes, Adi Kus Rochman Jk, Dwi Listyorini, Fatchur Rohman, Yessi Affriyenni
Jurnal Pendidikan Sains
The cultivation of self-regulatory skills holds paramount importance for individuals’ future success, particularly in the context of evolving educational modalities prompted by the Covid-19 pandemic. As learning transitions between online during the pandemic and offline post-pandemic, understanding the nuances of self-regulation becomes imperative. Thus, this study sought to achieve three objectives: (1) analyzing disparities in student self-regulation between online and offline settings, (2) examining the interplay between online and offline self-regulation, and (3) scrutinizing the relationship between self-regulation and learning outcomes. Employing a methodological approach involving questionnaire administration, interviews, and collecting academic scores data, data analysis was conducted utilizing the …
Can Argument-Driven Inquiry-Assisted Virtual Laboratory Improve Pre-Service Physics Teachers’ Mastery Concept Of Simple Harmonic Oscillation?, Yolanda Dwi Vivian Karawahenni, Sutopo Sutopo, Arif Hidayat, Maya Mustika
Can Argument-Driven Inquiry-Assisted Virtual Laboratory Improve Pre-Service Physics Teachers’ Mastery Concept Of Simple Harmonic Oscillation?, Yolanda Dwi Vivian Karawahenni, Sutopo Sutopo, Arif Hidayat, Maya Mustika
Jurnal Pendidikan Sains
This study endeavors to ascertain the efficacy of the Argument-Driven Inquiry (ADI)- assisted virtual laboratory learning model in enhancing the comprehension of simple harmonic oscillation concepts among pre-service physics teachers. Employing a mixed- method approach with an embedded experimental design, the investigation employs a reasoned multiple-choice instrument comprising 15 questions. Analysis of the results reveals a noteworthy 48.38% increase in the average mastery of concepts between the pre-test and post-test, yielding an N-gain value of 0.63. Statistical scrutiny through paired sample t-tests corroborates significant disparities between pre-test and post-test scores, evidenced by a tcount (16.28) exceeding the critical ttable value …
Error Analysis Of Learners’ Problem-Solving Abilities In Mathematics Courses: A Newman Error Analysis (Nea) Approach, Aprilita Ekasari, Don Jaya Putra
Error Analysis Of Learners’ Problem-Solving Abilities In Mathematics Courses: A Newman Error Analysis (Nea) Approach, Aprilita Ekasari, Don Jaya Putra
Jurnal Pendidikan Sains
This study endeavors to systematically discern the spectrum of learner errors manifesting in problem-solving processes within the domain of mathematics, specifically focusing on the intricacies of integration, utilizing Newman Error Analysis (NEA) as the guiding framework. The cohort under investigation comprises 14 first-year students hailing from the Department of Physics Education at Musamus University, Merauke. Employing a descriptive methodology underscored by a qualitative orientation, this research incorporates tests and interviews as primary instruments for data collection. The tests are designed to meticulously evaluate the array of errors committed by learners, as per the tenets of Newman’s model. Additionally, a subset …
Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques, Chitnarong Sirisathitkul
Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques, Chitnarong Sirisathitkul
Makara Journal of Science
Ancient potteries offer valuable information regarding technological advancements, life dynamics, cultural diversity, and trade routes in the past. Earthenware, stoneware, and porcelain from Southeast Asia have been characterized using several analytical techniques, as reviewed in this article. Fluorescent and diffracted X-rays give rise to elemental and phase compositions, respectively. Examination of molecular bonds requires vibrational spectroscopy, which is useful for the identification of organic materials in ancient potteries. With the advent of portable X-ray fluorescence and Raman spectrometry, on-site analysis of archeological ceramics is now possible. For in-depth analysis, synchrotron light sources can provide new insights into artifacts through X-ray …
Size Limits And Fission Channels Of Doubly Charged Noble Gas Clusters, Ianessa Stromberg, Stefan Bergmeister, Lisa Ganner, Fabio Zappa, Paul Scheier, Olof Echt, Elisabeth Gruber
Size Limits And Fission Channels Of Doubly Charged Noble Gas Clusters, Ianessa Stromberg, Stefan Bergmeister, Lisa Ganner, Fabio Zappa, Paul Scheier, Olof Echt, Elisabeth Gruber
Faculty Publications
Small, highly charged liquid droplets are unstable with respect to spontaneous charge separation when their size drops below the Rayleigh limit or, in other words, their fissility parameter X exceeds the value 1. The absence of small doubly charged atomic cluster ions in mass spectra below an element-specific appearance size na has sometimes been attributed to the onset of barrierless fission at X = 1. However, more realistic models suggest that na marks the size below which the rate of fission surpasses that of competing dissociative channels, and the Rayleigh limit of doubly charged van der Waals clusters …
Mechanistic Investigation Of C—C Bond Activation Of Phosphaalkynes With Pt(0) Complexes, Roberto M. Escobar, Abdurrahman C. Ateşin, Christian Müller, William D. Jones, Tülay Ateşin
Mechanistic Investigation Of C—C Bond Activation Of Phosphaalkynes With Pt(0) Complexes, Roberto M. Escobar, Abdurrahman C. Ateşin, Christian Müller, William D. Jones, Tülay Ateşin
Research Symposium
Carbon–carbon (C–C) bond activation has gained increased attention as a direct method for the synthesis of pharmaceuticals. Due to the thermodynamic stability and kinetic inaccessibility of the C–C bonds, however, activation of C–C bonds by homogeneous transition-metal catalysts under mild homogeneous conditions is still a challenge. Most of the systems in which the activation occurs either have aromatization or relief of ring strain as the primary driving force. The activation of unstrained C–C bonds of phosphaalkynes does not have this advantage. This study employs Density Functional Theory (DFT) calculations to elucidate Pt(0)-mediated C–CP bond activation mechanisms in phosphaalkynes. Investigating the …
Doubly Charged Dimers And Trimers Of Heavy Noble Gases, Gabriel Schöpfer, Stefan Bergmeister, Milan Ončák, Ianessa Stromberg, Masoomeh Mahmoodi-Darian, Paul Scheier, Olof Echt, Elisabeth Gruber
Doubly Charged Dimers And Trimers Of Heavy Noble Gases, Gabriel Schöpfer, Stefan Bergmeister, Milan Ončák, Ianessa Stromberg, Masoomeh Mahmoodi-Darian, Paul Scheier, Olof Echt, Elisabeth Gruber
Faculty Publications
Many doubly charged heteronuclear dimers are metastable or even thermodynamically stable with respect to charge separation. Homonuclear dicationic dimers, however, are more difficult to form. He22+ was the first noble gas dimer predicted to be metastable and, decades later, observed. Ne22+ is the only other dicationic noble gas dimer that has been detected so far. Here, we present a novel approach to form fragile dicationic species, by post-ionization of singly charged ions that are embedded in helium nanodroplets (HNDs). Bare ions are then extracted by colliding the HNDs with helium gas. We detect homonuclear doubly charged …
The Infrared Absorption Spectrum Of Phenylacetylene And Its Deuterated Isotopologue In The Mid- To Far-Ir, Vincent J. Esposito, Pierro Ferrari, Wybren Jan Buma, Ryan C. Fortenberry, Christiaan Boersma, Alessandra Candian, Alexander G. G. M. Tielens
The Infrared Absorption Spectrum Of Phenylacetylene And Its Deuterated Isotopologue In The Mid- To Far-Ir, Vincent J. Esposito, Pierro Ferrari, Wybren Jan Buma, Ryan C. Fortenberry, Christiaan Boersma, Alessandra Candian, Alexander G. G. M. Tielens
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
Anharmonicity strongly influences the absorption and emission spectra of polycyclic aromatic hydrocarbon (PAH) molecules. Here, IR–UV ion-dip spectroscopy experiments together with detailed anharmonic computations reveal the presence of fundamental, overtone, as well as 2- and 3-quanta combination band transitions in the far- and mid-infrared absorption spectra of phenylacetylene and its singly deuterated isotopologue. Strong absorption features in the 400–900 cm−1 range originate from CH(D) in-plane and out-of-plane wags and bends, as well as bending motions including the C≡C and CH bonds of the acetylene substituent and the aromatic ring. For phenylacetylene, every absorption feature is assigned either directly or …
Investigations Of The Eutectic Formation And Skin Rejuvenation By Hyaluronan - Kojic Acid Dipalmitate System, Syed Waqar Hussain Shah, Sumbal Imran, Iram Bibi, Kashif Ali, Nadia Bashir
Investigations Of The Eutectic Formation And Skin Rejuvenation By Hyaluronan - Kojic Acid Dipalmitate System, Syed Waqar Hussain Shah, Sumbal Imran, Iram Bibi, Kashif Ali, Nadia Bashir
Karbala International Journal of Modern Science
Eutectic phenomenon has been investigated in binary system based on biopolymer hyaluronan (HN) and kojic acid dipalmitate (KAD). Solid-liquid phase diagram showed a significant dependence of melting points on weight fraction of KAD up to KAD < 0.5. A negligible regain to melting temperature of pure KAD occurred later. Simulations of molecular mechanics using a four-unit segment of HN and KAD revealed the interaction between carbonyl of KAD with 4-OH on N-acetylglucosamine unit of oligomer. Infrared vibrational spectroscopy also endorsed the existence of a weakly interacting system. Such behavior was expected due to steric hinderance and rigidity of biopolymer. The thermal decomposition temperature of HN (i.e., 215 °C) was increased to 322 °C in HK50 having HN and KAD in 1:50 w/w. Bioelectric impedance analysis revealed that these green materials could promote skin health in humans.
Synthesis And Characterization Of Renewable Heterogeneous Catalyst Zno Supported Biogenic Silica From Pineapple Leaves Ash For Sustainable Biodiesel Conversion, Nadila Pratiwi, Suriati Eka Putri, Yulia Shinta, Arya Ibnu Batara, Diana Eka Pratiwi, Abd Rahman, Nur Ahmad, Heryanto Heryanto
Synthesis And Characterization Of Renewable Heterogeneous Catalyst Zno Supported Biogenic Silica From Pineapple Leaves Ash For Sustainable Biodiesel Conversion, Nadila Pratiwi, Suriati Eka Putri, Yulia Shinta, Arya Ibnu Batara, Diana Eka Pratiwi, Abd Rahman, Nur Ahmad, Heryanto Heryanto
Karbala International Journal of Modern Science
This study reports on the first case of the low-cost and environmentally friendly ZnO/SiO2 heterogeneous catalyst from pineapple leaves ash (PLA). Catalyst shows excellent performance in catalyzing the transesterification of waste cooking oil (WCO) with methanol for biodiesel conversion. This study focuses on assessing the influence of Zn content on physicochemical characteristics, using XRD, FTIR, SEM, and N2 adsorption-desorption methods. In addition, three different Zn content levels (20, 25, and 30 %wt) were applied. The results showed that all ZnO/SiO2 samples exhibited characteristics suitable for use as catalyst with an average crystallite size of 31.83-34.15 nm, and a surface area …