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Articles 151 - 180 of 592
Full-Text Articles in Chemistry
All-Atomic Molecular Dynamic Studies Of Human And Drosophila Cdk8: Insights Into Their Kinase Domains, The Lxxll Motifs, And Drug Binding Site, Wu Xu, Xiao-Jun Xie, Ali K. Faust, Mengmeng Liu, Xiao Li, Feng Chen, Ashlin A. Naquin, Avery C. Walton, Peter W. Kishbaugh, Jun-Yuan Ji
All-Atomic Molecular Dynamic Studies Of Human And Drosophila Cdk8: Insights Into Their Kinase Domains, The Lxxll Motifs, And Drug Binding Site, Wu Xu, Xiao-Jun Xie, Ali K. Faust, Mengmeng Liu, Xiao Li, Feng Chen, Ashlin A. Naquin, Avery C. Walton, Peter W. Kishbaugh, Jun-Yuan Ji
Faculty Publications
Cyclin-dependent kinase 8 (CDK8) and its regulatory partner Cyclin C (CycC) play conserved roles in modulating RNA polymerase II (Pol II)-dependent gene expression. To understand the structure and function relations of CDK8, we analyzed the structures of human and Drosophila CDK8 proteins using molecular dynamics simulations, combined with functional analyses in Drosophila. Specifically, we evaluated the structural differences between hCDK8 and dCDK8 to predict the effects of the LXXLL motif mutation (AQKAA), the P154L mutations, and drug binding on local structures of the CDK8 proteins. First, we have observed that both the LXXLL motif and the kinase activity of CDK8 …
Effect Of Oxidation Level On The Interfacial Water At The Graphene Oxide-Water Interface: From Spectroscopic Signatures To Hydrogen-Bonding Environment, Rolf David, Aashish Tuladhar, Le Zhang, Christopher Arges, Revati Kumar
Effect Of Oxidation Level On The Interfacial Water At The Graphene Oxide-Water Interface: From Spectroscopic Signatures To Hydrogen-Bonding Environment, Rolf David, Aashish Tuladhar, Le Zhang, Christopher Arges, Revati Kumar
Faculty Publications
The interfacial region of the graphene oxide (GO)-water system is nonhomogenous due to the presence of two distinct domains: an oxygen-rich surface and a graphene-like region. The experimental vibrational sum-frequency generation (vSFG) spectra are distinctly different for the fully oxidized GO-water interface as compared to the reduced GO-water case. Computational investigations using ab initio molecular dynamics were performed to determine the molecular origins of the different spectroscopic features. The simulations were first validated by comparing the simulated vSFG spectra to those from the experiment, and the contributions to the spectra from different hydrogen bonding environments and interfacial water orientations were …
Protein Discrimination Using A Fluorescence-Based Sensor Array Of Thiacarbocyanine-Gumbos, Rocio L. Perez, Mingyan Cong, Stephanie R. Vaughan, Caitlan E. Ayala, Waduge Indika S. Galpothdeniya, John K. Mathaga, Isiah M. Warner
Protein Discrimination Using A Fluorescence-Based Sensor Array Of Thiacarbocyanine-Gumbos, Rocio L. Perez, Mingyan Cong, Stephanie R. Vaughan, Caitlan E. Ayala, Waduge Indika S. Galpothdeniya, John K. Mathaga, Isiah M. Warner
Faculty Publications
Sensitive and selective detection of proteins from complex samples has gained substantial interest within the scientific community. Early and precise detection of key proteins plays an important role in potential clinical diagnosis, treatment of different diseases, and proteomic research. In the study reported here, six different compounds belonging to a group of uniform materials based on organic salts (GUMBOS) have been synthesized using three thiacarbocyanine (TC) dyes and employed as fluorescent sensors. Fluorescence properties of micro- and nanoaggregates of these TC-based GUMBOS formed in phosphate buffer solutions are studied in the absence and presence of seven proteins. Fluorescence response patterns …
Recent Progress In Enhancing Poly(Lactic Acid) Stereocomplex Formation For Material Property Improvement, Fuhong Luo, Alexander Fortenberry, Jie Ren, Zhe Qiang
Recent Progress In Enhancing Poly(Lactic Acid) Stereocomplex Formation For Material Property Improvement, Fuhong Luo, Alexander Fortenberry, Jie Ren, Zhe Qiang
Faculty Publications
The production and utilization of polymers have been widely implemented into diverse applications that benefit modern human society, but one of the most valuable properties of polymers, durability, has posed a long-standing environmental challenge from its inception since plastic waste can lead to significant contamination and remains in landfills and oceans for at least hundreds of years. Poly(lactic acid) (PLA) derived from renewable resources provides a sustainable alternative to traditional polymers due to its advantages of comparable mechanical properties with common plastics and biodegradability. However, the poor thermal and hydrolytic stability of PLA-based materials limit their potential for durable applications. …
Probing The Surface Acidity Of Supported Aluminum Bromide Catalysts, Md Ashraful Abedin, Swarom Kanitkar, Nitin Kumar, Zi Wang, Kunlun Ding, Graham Hutchings, James J. Spivey
Probing The Surface Acidity Of Supported Aluminum Bromide Catalysts, Md Ashraful Abedin, Swarom Kanitkar, Nitin Kumar, Zi Wang, Kunlun Ding, Graham Hutchings, James J. Spivey
Faculty Publications
Solid acid catalysis is an important class of reactions. The principal advantages of solid acid catalysts as compared to their corresponding fluid acids include minimal waste and ease of product separation. One type of these catalysts is based on aluminum bromide (Al2Br6), which is a stronger Lewis acid than Al2Cl6. In this report, Al(2)Br(6)is grafted on commercial mesoporous silica (CMS), SBA-15 and silica gel to create a solid catalyst similar to the silica-supported Al(2)Cl(6)superacid. These supported Al(2)Br(6)catalysts were characterized by NH3-Temperature Programmed Desorption (TPD), pyridine Diffuse Reflectance for Infrared Fourier Transform Spectroscopy (DRIFTS) and Magic Angle Spinning Nuclear Magnetic Resonance …
Electrochemiluminescence Mechanisms Investigated With Smartphone-Based Sensor Data Modeling, Parameter Estimation And Sensitivity Analysis, Elmer Ccopa Rivera, Rodney Lee Summerscales, Padma P. Tadi Uppala, Hyun J. Kwon
Electrochemiluminescence Mechanisms Investigated With Smartphone-Based Sensor Data Modeling, Parameter Estimation And Sensitivity Analysis, Elmer Ccopa Rivera, Rodney Lee Summerscales, Padma P. Tadi Uppala, Hyun J. Kwon
Faculty Publications
The present study introduces a unified framework combining a mechanistic model with a genetic algorithm (GA) for the parameter estimation of electrochemiluminescence (ECL) kinetics of the Ru(bpy)32+/TPrA system occurring in a smartphone‐based sensor. The framework allows a straightforward solution for simultaneous estimation of multiple parameters which can be, otherwise, time‐consuming and lead to non‐convergence. Model parameters are estimated by achieving a high correlation between the model prediction and the measured ECL intensity from the ECL sensor. The developed model is used to perform a sensitivity analysis (SA), which provides quantitative effects of the model parameters on the …
Heterometallic Multinuclear Nodes Directing Mof Electronic Behavior, Otega A. Ejegbavwo, Anna A. Berseneva, Corey R. Martin, Gabrielle A. Leith, Shubham Pandey, Amy J. Brandt, Kyoung Chul Park, Abhijai Mathur, Sharfa Farzandh, Vladislav V. Klepov, Brittany J. Heiser, Mvs Chandrashekhar, Stavros G. Karakalos, Mark D. Smith, Simon R. Phillpot, Sophya Garashchuk, Donna A. Chen, Natalia B. Shustova Prof. Dr.
Heterometallic Multinuclear Nodes Directing Mof Electronic Behavior, Otega A. Ejegbavwo, Anna A. Berseneva, Corey R. Martin, Gabrielle A. Leith, Shubham Pandey, Amy J. Brandt, Kyoung Chul Park, Abhijai Mathur, Sharfa Farzandh, Vladislav V. Klepov, Brittany J. Heiser, Mvs Chandrashekhar, Stavros G. Karakalos, Mark D. Smith, Simon R. Phillpot, Sophya Garashchuk, Donna A. Chen, Natalia B. Shustova Prof. Dr.
Faculty Publications
Metal node engineering in combination with modularity, topological diversity, and porosity of metal–organic frameworks (MOFs) could advance energy and optoelectronic sectors. In this study, we focus on MOFs with multinuclear heterometallic nodes for establishing metal−property trends, i.e., connecting atomic scale changes with macroscopic material properties by utilization of inductively coupled plasma mass spectrometry, conductivity measurements, X-ray photoelectron and diffuse reflectance spectroscopies, and density functional theory calculations. The results of Bader charge analysis and studies employing the Voronoi–Dirichlet partition of crystal structures are also presented. As an example of frameworks with different nodal arrangements, we have chosen MOFs with mononuclear, …
A Highly Elastic And Fatigue-Resistant Natural Protein-Reinforced Hydrogel Electrolyte For Reversible-Compressible Quasi-Solid-State Supercapacitors, Jingya Nan, Gaitong Zhang, Tianyu Zhu, Zhongkai Wang, Lijun Wang, Hongsheng Wang, Fuxiang Chu, Chunpeng Wang, Chuanbing Tang
A Highly Elastic And Fatigue-Resistant Natural Protein-Reinforced Hydrogel Electrolyte For Reversible-Compressible Quasi-Solid-State Supercapacitors, Jingya Nan, Gaitong Zhang, Tianyu Zhu, Zhongkai Wang, Lijun Wang, Hongsheng Wang, Fuxiang Chu, Chunpeng Wang, Chuanbing Tang
Faculty Publications
Compressible solid-state supercapacitors are emerging as promising power sources for next-generation flexible electronics with enhanced safety and mechanical integrity. Highly elastic and compressible solid electrolytes are in great demand to achieve reversible compressibility and excellent capacitive stability of these supercapacitor devices. Here, a lithium ion-conducting hydrogel electrolyte by integrating natural protein nanoparticles into polyacrylamide network is reported. Due to the synergistic effect of natural protein nanoparticles and polyacrylamide chains, the obtained hydrogel shows remarkable elasticity, high compressibility, and fatigue resistance properties. More significantly, the supercapacitor device based on this hydrogel electrolyte exhibits reversible compressibility under multiple cyclic compressions, working well …
Effect Of Different Phosphate Glass Compositions On The Process-Induced Macromolecular Dynamic Of Polyamide 66, Imane Belyami, Mohammad K. Hassan
Effect Of Different Phosphate Glass Compositions On The Process-Induced Macromolecular Dynamic Of Polyamide 66, Imane Belyami, Mohammad K. Hassan
Faculty Publications
The present study provides a fundamental understanding of the mechanism of action of special new phosphate glass (P-glass) systems, having different glass transition temperatures (Tg), in polyamide 66 (PA66). Dynamic mechanical analysis (DMA) revealed that the Tg of PA66/low Tg P-glass (ILT-1) was significantly shifted to a lower Tg (65 °C), and another transition appeared at high temperature (166 °C). This was supported by a drop in the melting point and the crystallinity of the PA66/ILT-1 hybrid material as detected by differential scanning calorimetry (DSC). The dielectric spectroscopic investigation on the networks’ molecular level structural …
A Game-Theoretic Approach To Deciphering The Dynamics Of Amyloid-Beta Aggregation Along Competing Pathways, Preetam Ghosh, Pratip Rana, Vijayaraghavan Rangachari, Jhinuk Saha, Edward Steen, Ashwin Vaidya
A Game-Theoretic Approach To Deciphering The Dynamics Of Amyloid-Beta Aggregation Along Competing Pathways, Preetam Ghosh, Pratip Rana, Vijayaraghavan Rangachari, Jhinuk Saha, Edward Steen, Ashwin Vaidya
Faculty Publications
Aggregation of amyloid-β (Aβ) peptides is a significant event that underpins Alzheimer's disease (AD). Aβ aggregates, especially the low-molecular weight oligomers, are the primary toxic agents in AD pathogenesis. Therefore, there is increasing interest in understanding their formation and behaviour. In this paper, we use our previously established results on heterotypic interactions between Aβ and fatty acids (FAs) to investigate off-pathway aggregation under the control of FA concentrations to develop a mathematical framework that captures the mechanism. Our framework to define and simulate the competing on- and off-pathways of Aβ aggregation is based on the principles of game theory. Together …
Hydrogen Peroxide Triggers An Increase In Cell Surface Expression Of System XC− In Cultured Human Glioma Cells, Leah A. Chase, Mary Verheulen Kleyn, Natasha Schiller, Abby Goltz King, Guillermo Flores, Sasha Balcazar Engelsman, Christina Bowles, Sara Lang Smith, Anne E. Robinson, Jeffrey Rothstein
Hydrogen Peroxide Triggers An Increase In Cell Surface Expression Of System XC− In Cultured Human Glioma Cells, Leah A. Chase, Mary Verheulen Kleyn, Natasha Schiller, Abby Goltz King, Guillermo Flores, Sasha Balcazar Engelsman, Christina Bowles, Sara Lang Smith, Anne E. Robinson, Jeffrey Rothstein
Faculty Publications
System xc− exchanges extracellular cystine for intracellular glutamate across the plasma membrane of many cell types. One of the physiological roles of System xc− is to provide cystine for synthesis of the antioxidant glutathione. Here we report that hydrogen peroxide (H2O2) triggers the translocation of System xc− to the plasma membrane within 10 min of the initial exposure. Specifically, we observed a three-fold increase in 35S-L-cystine uptake following a 10 min exposure to 0.3 mM H2O2. This effect was dose-dependent with an EC50 for …
Synthesis, Characterization, Dna Binding, Topoisomerase Inhibition, And Apoptosis Induction Studies Of A Novel Cobalt(Iii) Complex With A Thiosemicarbazone Ligand, Stephen J. Beebe, Michael J. Celestine, Jimmie L. Bullock, Shayna Sandhaus, Jessa Faye Arca, Donald M. Cropek, Tekettay A. Ludvig, Sydney R. Foster, Jasmine S. Clark, Floyd A. Beckford, Criszcele M. Tano, Elizabeth A. Tonsel-White, Raj K. Gurung, Courtney E. Stankavich, Yuk Ching Tse-Dinh, William L. Jarrett, Alvin A. Holder
Synthesis, Characterization, Dna Binding, Topoisomerase Inhibition, And Apoptosis Induction Studies Of A Novel Cobalt(Iii) Complex With A Thiosemicarbazone Ligand, Stephen J. Beebe, Michael J. Celestine, Jimmie L. Bullock, Shayna Sandhaus, Jessa Faye Arca, Donald M. Cropek, Tekettay A. Ludvig, Sydney R. Foster, Jasmine S. Clark, Floyd A. Beckford, Criszcele M. Tano, Elizabeth A. Tonsel-White, Raj K. Gurung, Courtney E. Stankavich, Yuk Ching Tse-Dinh, William L. Jarrett, Alvin A. Holder
Faculty Publications
In this study, 9-anthraldehyde-N(4)-methylthiosemicarbazone (MeATSC) 1 and [Co(phen)2(O2CO)]Cl·6H2O 2 (where phen = 1,10-phenanthroline) were synthesized. [Co(phen)2(O2CO)]Cl·6H2O 2 was used to produce anhydrous [Co(phen)2(H2O)2](NO3)3 3. Subsequently, anhydrous [Co(phen)2(H2O)2](NO3)3 3 was reacted with MeATSC 1 to produce [Co(phen)2(MeATSC)](NO3)3·1.5H2O·C2H5OH 4. The ligand, MeATSC 1 and all complexes were characterized by elemental analysis, FT IR, UV–visible, and multinuclear NMR ( …
Production Of The Polysaccharide Curdlan By Agrobacterium Species On Processing Coproducts And Plant Lignocellulosic Hydrolysates, Thomas P. West
Production Of The Polysaccharide Curdlan By Agrobacterium Species On Processing Coproducts And Plant Lignocellulosic Hydrolysates, Thomas P. West
Faculty Publications
This review examines the production of the biopolymer curdlan, synthesized by Agrobacterium species(sp.),on processing coproducts and plant ligno cellulosichydrolysates. Curdlanis a-(1 3)-D-glucan that has various food, non-food and biomedical applications. A number of carbon sources support bacterial curdlan production upon depletion of nitrogen in the culture medium. The influence of culture medium pH is critical to the synthesis of curdlan. The biosynthesis of the-(1 3)-D-glucan is likely controlled by a regulatory protein that controls the genes involved in the bacterial production of curdlan. Curdlan overproducer mutant strains have been isolated from Agrobacterium sp. ATCC 31749 and ATCC 31750 by chemical …
Granulins Modulate Liquid-Liquid Phase Separation And Aggregation Of Prion-Like C-Terminal Domain Of The Neurodegeneration-Associated Protein Tdp-43, Anukool A. Bhopatkar, Vladimir N. Uversky, Vijay Rangachari
Granulins Modulate Liquid-Liquid Phase Separation And Aggregation Of Prion-Like C-Terminal Domain Of The Neurodegeneration-Associated Protein Tdp-43, Anukool A. Bhopatkar, Vladimir N. Uversky, Vijay Rangachari
Faculty Publications
Tar DNA binding protein 43 (TDP-43) has emerged as a key player in many neurodegenerative pathologies including frontotemporal lobar degeneration (FTLD) and amyotrophic lateral sclerosis (ALS). Hallmarks of both FTLD and ALS are the toxic cytoplasmic inclusions of the prion-like C-terminal fragments of TDP-43 (TDP-43 CTD), formed upon proteolytic cleavage of full-length TDP-43 in the nucleus and subsequent transport to the cytoplasm. Both full-length TDP-43 and its CTD are also known to form stress granules (SGs) by coacervating with RNA in the cytoplasm during stress and may be involved in these pathologies. Furthermore, mutations in PGRN gene, leading to haploinsufficiency …
Spectroscopic Study On Pseudomonas Aeruginosa Biofilm In The Presence Of The Aptamer-Dna Scaffolded Silver Nanoclusters, Bidisha Sengupta, Prakash Adhikari, Esther Mallet, Ronald Havner, Prabhakar Pradhan
Spectroscopic Study On Pseudomonas Aeruginosa Biofilm In The Presence Of The Aptamer-Dna Scaffolded Silver Nanoclusters, Bidisha Sengupta, Prakash Adhikari, Esther Mallet, Ronald Havner, Prabhakar Pradhan
Faculty Publications
We report the effectiveness of silver nanocluster (Ag-NC) against the biofilm of Pseudomonas aeruginosa (PA). Two DNA aptamers specific for PA and part of their sequences were chosen as templates for growing the Ag-NC. While circular dichroism (CD) studies determined the presence of secondary structures, UV/Vis absorption, and fluorescence spectroscopic studies confirmed the formation of the fluorescent Ag-NC on the DNA templates. Furthermore, mesoscopic physics-based partial wave spectroscopy (PWS) was used to analyze the backscattered light signal that can detect the degree of nanoscale mass density/refractive index fluctuations to identify the biofilm formation, comparatively among the different aptamers with respect …
Data On Gc/Ms Elution Profile, 1h And 13c Nmr Spectra Of 1-, 3-, And 6-Nitrobenzo[A]Pyrenes, Kefa Karimu Onchoke
Data On Gc/Ms Elution Profile, 1h And 13c Nmr Spectra Of 1-, 3-, And 6-Nitrobenzo[A]Pyrenes, Kefa Karimu Onchoke
Faculty Publications
The data presented in this article is related to the research article entitled, “13C NMR Chemical Shift Assignments of Nitrated Benzo[a]pyrenes based on Two-dimensional Techniques and DFT/GIAO Calculations”, Kefa K. Onchoke, PeerJ., . The NMR spectral profiles of nitrated benzo[a]pyrenes is presented. Further, the article describes elution profiles of 1-, 3- and 6-NBaP, the acquisition of 1H and 13C NMR data and the J-Coupling constants (which are useful for the assignment of peaks via 2D HMQC and HMBC techniques). The data presented is useful for developing structure-activity relationships for other nitrated polycyclic aromatic hydrocarbons (NPAHs)
Development Of Smartphone-Based Ecl Sensor For Dopamine Detection: Practical Approaches, Hyun J. Kwon, Elmer Rivera, Mabio R. Cohelo Neto, Daniel Marsh, Jonathan Swerdlow, Rodney Lee Summerscales, Padma P. Tadi Uppala
Development Of Smartphone-Based Ecl Sensor For Dopamine Detection: Practical Approaches, Hyun J. Kwon, Elmer Rivera, Mabio R. Cohelo Neto, Daniel Marsh, Jonathan Swerdlow, Rodney Lee Summerscales, Padma P. Tadi Uppala
Faculty Publications
In this work, a compact, mobile phone-based ECL sensor apparatus was developed using the phone cameras, screen-printed electrodes (SPE), and mobile app for dopamine detection. Methods of DC voltage application for ECL reaction were comprehensively studied from the mobile phone itself or external power. Under optimized sensing conditions, with disposable carbon SPE and 20 mM coreactant tri-n-propylamine (TPrA), acceptable repeatability and reproducibility were achieved in terms of relative standard deviation (RSD) of intra- and interassays, which were 6.7 and 5.5%, respectively. The biochemical compound dopamine was measured due to its ECL quenching characteristics and its clinical importance. The …
Conformational Polymorphism In Organic Crystals: Structural And Functional Aspects - A Review, Bidisha Sengupta, Pradeep K. Sengupta, Romans Grant1, Matthew Beasley1, Benjamin Mason1, Tanesha Love1, Larissa Barroso9, Mariela Alvarado9, M S. Zaman
Conformational Polymorphism In Organic Crystals: Structural And Functional Aspects - A Review, Bidisha Sengupta, Pradeep K. Sengupta, Romans Grant1, Matthew Beasley1, Benjamin Mason1, Tanesha Love1, Larissa Barroso9, Mariela Alvarado9, M S. Zaman
Faculty Publications
Polymorphism in organic crystals involves the formation of isomeric molecular identities. It is dependent on the structural arrangement due to inter-atomic interactions, as well as external stimuli, which include temperature, visible and UV radiation. Conformational polymorphism of organic crystalline molecules is often the result of isomerism due to the twisting and turning of angular bonds. The arrangement of the atoms supports different types of bonding mechanisms (which include hydrogen bonding) within the same compound. This, in turn, results in the formation of cis/trans configurational isomers or a proton transfer species (tautomer), having different functional properties. The conformers support the flexibility …
Simultaneous Enhancement Of Near-Infrared Emission And Dye Photodegradation In A Racemic Aspartic Acid Compound Via Metal-Ion Modification, Frank R. Fronczek, Jian Xu
Simultaneous Enhancement Of Near-Infrared Emission And Dye Photodegradation In A Racemic Aspartic Acid Compound Via Metal-Ion Modification, Frank R. Fronczek, Jian Xu
Faculty Publications
Changing functionalities of materials using simple methods is an active area of research, as it is "green" and lowers the developing cost of new products for the enterprises. A new small molecule racemic N,N-dimethyl aspartic acid has been prepared. Its structure is determined by single-crystal X-ray diffraction. It is characterized by FTIR, XPS, 1 H NMR, and mass spectroscopy. Its near-infrared luminescence can be enhanced by the combination of metal ions, including Dy3+, Gd3+, Nd3+, Er3+, Sr3+, Y3+, Zn2+, Zr4+, Ho3+, Yb3+, La3+, Pr6+/Pr3+, and Sm3+ ions. An optical chemistry mechanism upon interaction between the sensitizer and activator is proposed. …
Stretchable Self-Healable Semiconducting Polymer Film For Active-Matrix Strain-Sensing Array, Jin Young Oh, Donghee Son, Toru Katsumata, Yeongjun Lee, Yeongin Kim, Jeffrey Lopez, Hung-Chin Wu, Jiheong Kang, Joonsuk Park, Xiaodan Gu, Jaewan Mun, Nathan Ging-Ji Wang, Yikai Yin, Wei Cai, Youngjun Yun, Jeffrey B.-H. Tok, Zhenan Bao
Stretchable Self-Healable Semiconducting Polymer Film For Active-Matrix Strain-Sensing Array, Jin Young Oh, Donghee Son, Toru Katsumata, Yeongjun Lee, Yeongin Kim, Jeffrey Lopez, Hung-Chin Wu, Jiheong Kang, Joonsuk Park, Xiaodan Gu, Jaewan Mun, Nathan Ging-Ji Wang, Yikai Yin, Wei Cai, Youngjun Yun, Jeffrey B.-H. Tok, Zhenan Bao
Faculty Publications
Skin-like sensory devidces shoud be stretchable and self-healable to meet the demands for future electronic skin applications. Despite recent notable advances in skin-inspired electronic materials, it remains challenging to confer these desired functionalities to an active semiconductor. Here, we report a strain-sensitive, stretchable, and autonomously self-healable semiconducting film achieved through blending of a polymer semiconductor and a self-healable elastomer, both of which are dynamically cross-linked by metal coordination. We observed that by controlling the percolation threshold of the polymer semiconductor, the blend film became strain sensitive, with a gauge factor of 5.75 x 105 at 100% strain in a …
Detection Of Chalk In Single Kernels Of Long-Grain Milled Rice Using Imaging And Visible/Near-Infrared Instruments, Christopher K. Addison
Detection Of Chalk In Single Kernels Of Long-Grain Milled Rice Using Imaging And Visible/Near-Infrared Instruments, Christopher K. Addison
Faculty Publications
Background and objectives To maintain the competitiveness of U.S. long-grain rice in U.S. and foreign markets, having translucent whole milled grain is critical. An objective technique to detect grain chalk, opaque areas in the grain, will provide breeders and industry with an effective tool for developing low-chalk varieties or agronomic practices that reduce chalk occurrence. Two instruments developed at the Center for Grain and Animal Health Research, U.S. Department of Agriculture-Agricultural Research Service (USDA-ARS), a single-kernel near-infrared (SKNIR) tube instrument and a silicon-based light-emitting diode (SiLED) high-speed sorter, were compared with two commercially available imaging instruments, WinSEEDLE and SeedCount used …
Emergent Functional Behaviour Of Humic Substances Perceived As Complex Labile Aggregates Of Small Organic Molecules And Oligomers, Robert L. Cook
Emergent Functional Behaviour Of Humic Substances Perceived As Complex Labile Aggregates Of Small Organic Molecules And Oligomers, Robert L. Cook
Faculty Publications
The structural organisation of humic substances (HS) has been a central question of earth sciences for several decades. The latest experimental results have led to the recognition of HS as complex mixtures of small molecules and oligomers. We investigate the correlation between the chemical composition of HS, perceived as labile aggregates, and the emergent functions. Computational modelling was used to help to understand the processes and mechanisms on the molecular scale that occur in different fractions of the HS, fulvic acids (FA) and humic acids (HA), as they interact with metal ions and organic pollutants. The importance of non-covalent interactions …
Cross-Linked Poly(4-Vinylpyridine-N-Oxide) As A Polymer-Supported Oxygen Atom Transfer Reagent, Anna M. Bauer, Erin E. Ramey, Kjersti G. Oberle, Gretchen A. Fata, Chloe D. Hutchison, Christopher R. Turlington
Cross-Linked Poly(4-Vinylpyridine-N-Oxide) As A Polymer-Supported Oxygen Atom Transfer Reagent, Anna M. Bauer, Erin E. Ramey, Kjersti G. Oberle, Gretchen A. Fata, Chloe D. Hutchison, Christopher R. Turlington
Faculty Publications
Oxygen atom transfer (OAT) reagents are common in biological and industrial oxidation reactions. While many heterogeneous catalysts have been utilized in OAT reactions, heterogeneous OAT reagents have not been explored. Here, cross-linked poly(4-vinylpyridine-N-oxide), called x-PVP-N-oxide, was tested as a heterogeneous OAT reagent and its oxidation chemistry compared to its molecular counterpart, pyridine-N-oxide. The insoluble oxidant x-PVP-N-oxide demonstrated comparable reactivity to pyridine-N-oxide in direct oxidation reactions of phosphines and phosphites in acetonitrile, but x-PVP-N-oxide did not react in other solvents. The polymer backbone of x-PVP-N-oxide, however, allowed …
Experimental And Computational Electrochemistry Of Quinazolinespirohexadienone Molecular Switches – Differential Electrochromic Vs Photochromic Behavior, Eric W. Webb, Jonathan P. Moerdyk, Kyndra B. Sluiter, Benjamin J. Pollock, Amy L. Speelman, Eugene J. Lynch, William F. Polik, Jason G. Gillmore
Experimental And Computational Electrochemistry Of Quinazolinespirohexadienone Molecular Switches – Differential Electrochromic Vs Photochromic Behavior, Eric W. Webb, Jonathan P. Moerdyk, Kyndra B. Sluiter, Benjamin J. Pollock, Amy L. Speelman, Eugene J. Lynch, William F. Polik, Jason G. Gillmore
Faculty Publications
Our undergraduate research group has long focused on the preparation and investigation of electron-deficient analogs of the perimidinespirohexadienone (PSHD) family of photochromic molecular switches for potential application as "photochromic photooxidants" for gating sensitivity to photoinduced charge transfer. We previously reported the photochemistry of two closely related and more reducible quinazolinespirohexadienones (QSHDs), wherein the naphthalene of the PSHD is replaced with a quinoline. In the present work, we report our investigation of the electrochemistry of these asymmetric QSHDs. In addition to the short wavelength and photochromic long-wavelength isomers, we have found that a second, distinct long-wavelength isomer is produced electrochemically. This …
Pyrenylpyridines: Sky-Blue Emitters For Organic Light-Emitting Diodes, Thenahandi Prasanthi Deepthika De Silva, Sang Gill Youm, Isiah M. Warner
Pyrenylpyridines: Sky-Blue Emitters For Organic Light-Emitting Diodes, Thenahandi Prasanthi Deepthika De Silva, Sang Gill Youm, Isiah M. Warner
Faculty Publications
A novel sky-blue-emitting tripyrenylpyridine derivative, 2,4,6-tri(1-pyrenyl)-pyridine (2,4,6-TPP), has been synthesized using a Suzuki coupling reaction and compared with three previously reported isomeric dipyrenylpyridine (DPP) analogues (2,4-di(1 pyrenyl)pyridine (2,4-DPP), 2,6-di(1-pyrenyl)pyridine (2,6-DPP), and 3,5-di(1-pyrenyl)-pyridine (3,5-DPP)). 0 revealed by single-crystal X-ray analysis and computational simulations, all compounds possess highly twisted conformations in the solid state with interpyrene torsional angles of 42.3 degrees-57.2 degrees. These solid-state conformations and packing variations of pyrenylpyridines could be correlated to observed variations in physical characteristics such as photo/thermal stability and spectral properties, but showed only marginal influence on electrochemical properties. The novel derivative, 2,4,6-TPP, exhibited the lowest degree …
Rompi-Cdsa: Ring-Opening Metathesis Polymerization-Induced Crystallization-Driven Self-Assembly Of Metallo-Block Copolymers, Ye Sha, Md Anisur Rahman, Tianyu Zhu, Yujin Cha, C Wayne Mcalister, Chuanbing Tang
Rompi-Cdsa: Ring-Opening Metathesis Polymerization-Induced Crystallization-Driven Self-Assembly Of Metallo-Block Copolymers, Ye Sha, Md Anisur Rahman, Tianyu Zhu, Yujin Cha, C Wayne Mcalister, Chuanbing Tang
Faculty Publications
Polymerization-induced self-assembly (PISA) and crystallization-driven self-assembly (CDSA) are among the most prevailing methods for block copolymer self-assembly. Taking the merits of scalability of PISA and dimension control of CDSA, we report one-pot synchronous PISA and CDSA ring-opening metathesis polymerization (ROMP) to prepare nano-objects based on a crystalline poly(ruthenocene) motif. We denote this self-assembly methodology as ROMPI-CDSA to enable a simple, yet robust approach for the preparation of functional nanomaterials.
Preface To Special Issue “International Year Of The Periodic Table: From Mendeleev To Cluster Chemistry”, Richard D. Adams, Boon Teo, Vladimir P. Fedin
Preface To Special Issue “International Year Of The Periodic Table: From Mendeleev To Cluster Chemistry”, Richard D. Adams, Boon Teo, Vladimir P. Fedin
Faculty Publications
No abstract provided.
Fisetin, A 3,7,3 ',4 '-Tetrahydroxyflavone Inhibits The Pi3k/Akt/Mtor And Mapk Pathways And Ameliorates Psoriasis Pathology In 2d And 3d Organotypic Human Inflammatory Skin Models, Konstantin G. Kousoulas
Fisetin, A 3,7,3 ',4 '-Tetrahydroxyflavone Inhibits The Pi3k/Akt/Mtor And Mapk Pathways And Ameliorates Psoriasis Pathology In 2d And 3d Organotypic Human Inflammatory Skin Models, Konstantin G. Kousoulas
Faculty Publications
Psoriasis is a chronic immune-mediated skin disease that involves the interaction of immune and skin cells, and is characterized by cytokine-driven epidermal hyperplasia, deviant differentiation, inflammation, and angiogenesis. Because the available treatments for psoriasis have significant limitations, dietary products are potential natural sources of therapeutic molecules, which can repair the molecular defects associated with psoriasis and could possibly be developed for its management. Fisetin (3,7,3 ',4 '-tetrahydroxyflavone), a phytochemical naturally found in pigmented fruits and vegetables, has demonstrated proapoptotic and antioxidant effects in several malignancies. This study utilized biochemical, cellular, pharmacological, and tissue engineering tools to characterize the effects of …
Approaches For Sample Characterization And Lithography With Nanoparticles Using Modes Of Scanning Probe Microscopy, Jayne C. Garno, Temitope O. Jegede, Kathryn B. Mckee, Melissia Porter, Autumn E. Webb, Jin Gyun Lee, Neepa Mk Kuruppu Arachchige, Justin R. Ragains, Noémie Elgrishi
Approaches For Sample Characterization And Lithography With Nanoparticles Using Modes Of Scanning Probe Microscopy, Jayne C. Garno, Temitope O. Jegede, Kathryn B. Mckee, Melissia Porter, Autumn E. Webb, Jin Gyun Lee, Neepa Mk Kuruppu Arachchige, Justin R. Ragains, Noémie Elgrishi
Faculty Publications
Measurement and imaging modes of scanning probe microscopy (SPM) have been routinely applied for characterizing systems of nanoparticles; however the evolution of fabrication methods to prepare arrangements of nanoparticles remains a challenge. Reproducible fabrication of surface structures which integrate nanoparticles within ultra-small patterns will require innovative approaches to achieve high throughput and precision. Strategies for nanoscale lithography have been introduced for preparing defined arrangements of nanoparticles on surfaces based on physical or chemical interactions. For example, physisorption was employed for attaching nanoparticles based on colloidal lithography and site-directed assembly. Microfabricated atomic force microscope (AFM) tips with capillary channels have been …
A New Magnetic Topological Quantum Material Candidate By Design, Weiwei Xie, Xin Gui
A New Magnetic Topological Quantum Material Candidate By Design, Weiwei Xie, Xin Gui
Faculty Publications
Magnetism, when combined with an unconventional electronic band structure, can give rise to forefront electronic properties such as the quantum anomalous Hall effect, axion electrodynamics, and Majorana fermions. Here we report the characterization of high-quality crystals of EuSn2P2, a new quantum material specifically designed to engender unconventional electronic states plus magnetism. EuSn2P2 has a layered, Bi2Te3-type structure. Ferromagnetic interactions dominate the Curie-Weiss susceptibility, but a transition to antiferromagnetic ordering occurs near 30 K. Neutron diffraction reveals that this is due to two-dimensional ferromagnetic spin alignment within individual Eu layers and antiferromagnetic alignment between layers-this magnetic state surrounds the Sn-P layers …