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Articles 12181 - 12210 of 13033
Full-Text Articles in Physical Sciences and Mathematics
Sustainable Supply Chain Management In The Nigerian Consumer Goods Manufacturing Sector, Ekpen Theophilus Owie
Sustainable Supply Chain Management In The Nigerian Consumer Goods Manufacturing Sector, Ekpen Theophilus Owie
Walden Dissertations and Doctoral Studies
Supply chain practitioners in developing economies, like Nigeria, experience challenges in implementing sustainable supply chain management practices. Poor sustainability implementation engenders the negative effects of supply chain operations on people, the environment, and business continuity. The purpose of this qualitative transcendental phenomenological study was to explore and describe the experiences of supply chain practitioners in the consumer goods manufacturing industry in Nigeria about sustainable supply chain management based on the theoretical foundations of stakeholder and general systems theories. The focus of the research question was to examine the experiences of supply chain practitioners to understand the challenges in implementing sustainable …
Innovation Strategies In Small Agrarian Businesses In Sierra Leone, Solomon Sorba Scholz
Innovation Strategies In Small Agrarian Businesses In Sierra Leone, Solomon Sorba Scholz
Walden Dissertations and Doctoral Studies
In 2015, a sharp decline in the sustainability of small agrarian businesses in Sierra Leone resulted in the gross domestic product declining by 41%. The purpose of this multiple case study was to explore the innovation strategies owners of small agrarian businesses use to sustain their businesses for longer than 5 years. The disruptive innovation theory was the conceptual framework for this study. The participants were 16 owners of small agrarian businesses from Makeni, Kenema, Bo, and Freetown districts in Sierra Leone who have sustained their businesses for longer than 5 years. Data were collected using semistructured interviews, personal notes, …
Classification Of Aerosol Population Type And Cloud Condensation Nuclei Properties In A Coastal California Littoral Environment Using An Unsupervised Cluster Model, Samuel A. Atwood, Sonia M. Kreidenweis, Paul J. Demott, Markus D. Petters, Gavin Cornwell, Andrew C. Martin, Kathryn A. Moore
Classification Of Aerosol Population Type And Cloud Condensation Nuclei Properties In A Coastal California Littoral Environment Using An Unsupervised Cluster Model, Samuel A. Atwood, Sonia M. Kreidenweis, Paul J. Demott, Markus D. Petters, Gavin Cornwell, Andrew C. Martin, Kathryn A. Moore
Geography Faculty Publications and Presentations
Aerosol particle and cloud condensation nuclei (CCN) measurements from a littoral location on the northern coast of California at Bodega Bay Marine Laboratory (BML) are presented for approximately six weeks of observations during the boreal winter–spring as part of the CalWater-2015 field campaign. The nature and variability of surface (marine boundary layer, MBL) aerosol populations were evaluated by classifying observations into periods of similar aerosol and meteorological characteristics using an unsupervised cluster model to derive distinct littoral aerosol population types and link them to source regions. Such classifications support efforts to understand the impact of changing aerosol properties on precipitation …
A Recent Systematic Increase In Vapor Pressure Deficit Over Tropical South America, Armineh Barkhordarian, Bahareh Saatchi, Ali Behrangi, Paul C. Loikith, Carlos R. Mechoso
A Recent Systematic Increase In Vapor Pressure Deficit Over Tropical South America, Armineh Barkhordarian, Bahareh Saatchi, Ali Behrangi, Paul C. Loikith, Carlos R. Mechoso
Geography Faculty Publications and Presentations
We show a recent increasing trend in Vapor Pressure Deficit (VPD) over tropical South America in dry months with values well beyond the range of trends due to natural variability of the climate system defined in both the undisturbed Preindustrial climate and the climate over 850–1850 perturbed with natural external forcing. This trend is systematic in the southeast Amazon but driven by episodic droughts (2005, 2010, 2015) in the northwest, with the highest recoded VPD since 1979 for the 2015 drought. The univariant detection analysis shows that the observed increase in VPD cannot be explained by greenhouse-gas-induced (GHG) radiative warming …
Innovation Strategies For A Global Manufacturing Business, Sachin Kakaji Ramteke
Innovation Strategies For A Global Manufacturing Business, Sachin Kakaji Ramteke
Walden Dissertations and Doctoral Studies
Some global manufacturing businesses fail to reach an adequate level of financial
performance within 5 years. The purpose of this single case study was to explore
innovation strategies that business leaders of a global machinery manufacturing company
in northwestern Illinois used to increase profit margins. The conceptual frameworks for
this study included the holistic innovation model and the disruptive innovation theory. A
purposeful sample of 9 business leaders who had more than 5 years of experience in the
manufacturing industry and more than 2 years of experience using innovation strategies
participated in the study. Data were collected from semistructured in-depth …
Urban Development Of A City In Niger Delta Region Of Nigeria, Chinyere Emmanuel Igwe
Urban Development Of A City In Niger Delta Region Of Nigeria, Chinyere Emmanuel Igwe
Walden Dissertations and Doctoral Studies
The issue of indiscriminate urban expansion is not uncommon in Africa. It has created haphazard, unplanned, and unapproved development that negatively affected urban planning for cities in the Niger Delta Region in Nigeria. Using Stone's urban regime theory, the purpose of this phenomenological study was to explore from the perspective of developers, associations, and government agencies (referred to as stakeholders), the roots causes of indiscriminate urban development and their activities in the process in the Niger Delta Region. Data were collected through semi structured telephone interviews with 10 participants who had at least 5 years experience working in public and …
Sustainable Business Growth: An Exploration Of Ghanaian Small Business Survival, John W. Atanga
Sustainable Business Growth: An Exploration Of Ghanaian Small Business Survival, John W. Atanga
Walden Dissertations and Doctoral Studies
Small businesses are significant contributors to a nation’s job creation and employment. These enterprises face many challenges that often lead to failure within 5 years. Some small business owners fail because they lack the necessary strategies for maintaining a sustainable business operation. The purpose of this qualitative descriptive phenomenological study was to analyze how to overcome the high failure rate of small businesses in Accra, Ghana. The conceptual framework for this study was institutional and planned behavior theories. The research questions sought participant’s experiences with small business survival that may have led to sustainable businesses. Data were collected from 20 …
Successful Strategies For Using Knowledge Management In Small And Medium-Sized Enterprises, Josephine Kayaga Nsubuga-Mugoa
Successful Strategies For Using Knowledge Management In Small And Medium-Sized Enterprises, Josephine Kayaga Nsubuga-Mugoa
Walden Dissertations and Doctoral Studies
Knowledge management (KM) is vital for an organization to succeed in a highly dynamic and competitive world. The purpose of this multiple case study was to explore strategies that managers of small and medium-sized enterprises (SMEs) use to effectively integrate KM into business practices. The study population comprised 5 managers from 2 SMEs operating in Uganda. The eligibility criteria for this study were that participants had to be from Ugandan SMEs with a knowledge-intensive environment, managers with some responsibility of KM in the organization, and experienced with at least 1 year of successful KM practices. The conceptual framework for this …
Public Servants' Perceptions Of The Cybersecurity Posture Of The Local Government In Puerto Rico, Julio C. Rodriguez
Public Servants' Perceptions Of The Cybersecurity Posture Of The Local Government In Puerto Rico, Julio C. Rodriguez
Walden Dissertations and Doctoral Studies
The absence of legislation, the lack of a standard cybersecurity framework, and the failure to adopt a resilient cybersecurity posture can be detrimental to the availability, confidentiality, and integrity of municipal information systems. The purpose of this phenomenological study was to understand the cybersecurity posture of municipalities from the perception of public servants serving in information technology (IT) leadership roles in highly populated municipalities in the San Juan-Carolina-Caguas Metropolitan Statistical Area of Puerto Rico. The study was also used to address key factors influencing the cybersecurity posture of these municipalities. The theoretical framework was open system theory used in combination …
Laser-Induced Plasma Analysis For Surrogate Nuclear Debris, Michael B. Shattan, John Auxier, A. C. Stowe, Christian G. Parigger
Laser-Induced Plasma Analysis For Surrogate Nuclear Debris, Michael B. Shattan, John Auxier, A. C. Stowe, Christian G. Parigger
Faculty Publications
This work identifies analytical lines in laser-induced plasma for chemical analyses of major elements found in surrogate nuclear debris. These lines are evaluated for interferences and signal strength to insure they would be useful to measure relative concentrations. Compact, portable instruments are employed and can be included as part of a mobile nuclear forensics laboratory for field screening of nuclear debris and contamination. The average plasma temperature is measured using the well-established Boltzmann plot technique, and plasma's average electron density is determined using empirical formulae based on Stark broadening of the H-alpha line. These measurements suggest existence of partial local …
Conflict Free Connectivity And The Conflict-Free-Connection Number Of Graphs, Travis D. Wehmeier
Conflict Free Connectivity And The Conflict-Free-Connection Number Of Graphs, Travis D. Wehmeier
College of Graduate Studies: Theses & Dissertations
We explore a relatively new concept in edge-colored graphs called conflict-free connectivity. A conflict-free path is a (edge-) colored path that has an edge with a color that appears only once. Conflict-free connectivity is the maximal number of internally disjoint conflict-free paths between all pairs of vertices in a graph. We also define the c-conflict-free-connection of a graph G. This is the maximum conflict-free connectivity of G over all c-colorings of the edges of G. In this paper we will briefly survey the works related to conflict-free connectivity. In addition, we will use the probabilistic method to achieve a bound …
Totally Acyclic Complexes, Holly M. Zolt
Totally Acyclic Complexes, Holly M. Zolt
College of Graduate Studies: Theses & Dissertations
We consider the following question: when is every exact complex of injective modules a totally acyclic one? It is known, for example, that over a commutative Noetherian ring of finite Krull dimension this condition is equivalent with the ring being Iwanaga-Gorenstein. We give equivalent characterizations of the condition that every exact complex of injective modules (over arbitrary rings) is totally acyclic. We also give a dual result giving equivalent characterizations of the condition that every exact complex of flat modules is F-totally acyclic over an arbitrary ring.
The Relationship Between Housing Affordability And Demographic Factors: Case Study For The Atlanta Beltline, Chapman T. Lindstrom
The Relationship Between Housing Affordability And Demographic Factors: Case Study For The Atlanta Beltline, Chapman T. Lindstrom
College of Graduate Studies: Theses & Dissertations
Housing affordability has been a widely examined subject for populations residing in major metropolitan regions around the world. The relationship between housing affordability and the city’s demographics and its volume of urban development are important to take into consideration. In the past two decades there has been an increasing volume of literature detailing Atlanta Georgia’s large-scale redevelopment project, the Atlanta BeltLine (ABL), and its relationship with Atlanta’s Metropolitan population and housing affordability. The first objective of this paper is to study the relationship between housing affordability at two scales within the Atlanta Metropolitan Area (AMA) for both renters and homeowners. …
Taking A Canon To The Adjunction Formula, Paul M. Harrelson
Taking A Canon To The Adjunction Formula, Paul M. Harrelson
College of Graduate Studies: Theses & Dissertations
In this paper, we show how the canonical divisor of a graph is related to the canonical divisor of its subgraph. The use of chip firing and the adjunction formula for graphs ex- plains said relation and even completes it. We go on to show the difference between the formula for full subgraphs and that of non-full subgraphs. Examples are used to simplify these results and to see the adjunction formula in action. Finally, we show that though the adjunction formula seems simple at first glance, it is somewhat complex and rather useful.
Inverse Problems Related To The Wiener And Steiner-Wiener Indices, Matthew Gentry
Inverse Problems Related To The Wiener And Steiner-Wiener Indices, Matthew Gentry
College of Graduate Studies: Theses & Dissertations
In a graph, the generalized distance between multiple vertices is the minimum number of edges in a connected subgraph that contains these vertices. When we consider such distances between all subsets of $k$ vertices and take the sum, it is called the Steiner $k$-Wiener index and has important applications in Chemical Graph Theory. In this thesis we consider the inverse problems related to the Steiner Wiener index, i.e. for what positive integers is there a graph with Steiner Wiener index of that value?
Classically Biased: A Quantitative Analysis Of Gender & Writing Styles In Classical Literature, Madeleine Rose Delcambre
Classically Biased: A Quantitative Analysis Of Gender & Writing Styles In Classical Literature, Madeleine Rose Delcambre
Honors Theses
This thesis is a first attempt in assessing patterns related to gender in classical literature prior to the 21st century, specifically looking at the way writing styles and language di↵er among female and male authors; e.g., sentence structuring, lexical diversity, and dictionary similarities. Further topics of analysis included gender distribution and sentiment within the novels themselves. Seventy-eight open-source novels were used in the analysis, with thirty-one books by female authors and forty-seven by male authors. Data from the novels was acquired using Python, natural language processing, and the Natural Language Toolkit (NLTK). Graphs and visuals were then created to summarize …
Dworkinian Liberalism, The Right To Pornography, And The Internet, Will Nowell
Dworkinian Liberalism, The Right To Pornography, And The Internet, Will Nowell
Honors Theses
In a 1981 journal article, “Is There A Right to Pornography?,” Ronald Dworkin argues that we have a right to ethical independence that includes the right to consume pornography. The purpose of this thesis is to inquire as to whether Dworkinian liberalism does entail a right to specifically internet pornography. This research is primarily focused on Ronald Dworkin’s writings in Justice for Hedgehogs, Sovereign Virtue: The Theory and Practice of Equality, and Taking Rights Seriously to describe the principles and character of Dworkinian liberalism and its philosophical relationship to the question of the right to pornography. This thesis considers contemporary …
Transfer Learning Approach To Multiclass Classification Of Child Facial Expressions, Megan A. Witherow, Manar D. Samad, Khan M. Iftekharuddin
Transfer Learning Approach To Multiclass Classification Of Child Facial Expressions, Megan A. Witherow, Manar D. Samad, Khan M. Iftekharuddin
Electrical & Computer Engineering Faculty Publications
The classification of facial expression has been extensively studied using adult facial images which are not appropriate ground truths for classifying facial expressions in children. The state-of-the-art deep learning approaches have been successful in the classification of facial expressions in adults. A deep learning model may be better able to learn the subtle but important features underlying child facial expressions and improve upon the performance of traditional machine learning and feature extraction methods. However, unlike adult data, only a limited number of ground truth images exist for training and validating models for child facial expression classification and there is a …
Growth Of Carbon Dioxide Whiskers, Avinash Kumar Both, Chin Li Cheung
Growth Of Carbon Dioxide Whiskers, Avinash Kumar Both, Chin Li Cheung
Department of Chemistry: Faculty Publications
We report the growth of carbon dioxide (CO2) whiskers at low temperatures (–70 °C to –65 °C) and moderate pressure (4.4 to 1.0 bar). Their axial growth was assessed by optical video analysis. The identities of these whiskers were confirmed as CO2 solids by Raman spectroscopy. A vapor– solid growth mechanism was proposed based on the influence of the relative humidity on the growth.
Urease Is An Essential Component Of The Acid Response Network Of Staphylococcus Aureus And Is Required For A Persistent Murine Kidney Infection, Chunyi Zhou, Fatema Bhinderwala, Mckenzie K. Lehman, Vinai C. Thomas, Sujata S. Chaudhari, Kelsey J. Yamada, Kirk W. Foster, Robert Powers, Tammy Kielian, Paul D. Fey
Urease Is An Essential Component Of The Acid Response Network Of Staphylococcus Aureus And Is Required For A Persistent Murine Kidney Infection, Chunyi Zhou, Fatema Bhinderwala, Mckenzie K. Lehman, Vinai C. Thomas, Sujata S. Chaudhari, Kelsey J. Yamada, Kirk W. Foster, Robert Powers, Tammy Kielian, Paul D. Fey
Department of Chemistry: Faculty Publications
Staphylococcus aureus causes acute and chronic infections resulting in significant morbidity. Urease, an enzyme that generates NH3 and CO2 from urea, is key to pH homeostasis in bacterial pathogens under acidic stress and nitrogen limitation. However, the function of urease in S. aureus niche colonization and nitrogen metabolism has not been extensively studied. We discovered that urease is essential for pH homeostasis and viability in urea-rich environments under weak acid stress. The regulation of urease transcription by CcpA, Agr, and CodY was identified in this study, implying a complex network that controls urease expression in response to changes …
Highly Stable And Efficient All-Inorganic Lead-Free Perovskite Solar Cells With Native-Oxide Passivation, Min Chen, Ming-Gang Ju, Hector F. Garces, Alexander D. Carl, Luis K. Ono, Zafer Hawash, Yi Zhang, Tianyi Shen, Yabing Qi, Ronald L. Grimm, Domenico Pacifici, Xiao Cheng Zeng, Yuanyuan Zhou, Nitin P. Padture
Highly Stable And Efficient All-Inorganic Lead-Free Perovskite Solar Cells With Native-Oxide Passivation, Min Chen, Ming-Gang Ju, Hector F. Garces, Alexander D. Carl, Luis K. Ono, Zafer Hawash, Yi Zhang, Tianyi Shen, Yabing Qi, Ronald L. Grimm, Domenico Pacifici, Xiao Cheng Zeng, Yuanyuan Zhou, Nitin P. Padture
Department of Chemistry: Faculty Publications
There has been an urgent need to eliminate toxic lead from the prevailing halide perovskite solar cells (PSCs), but the current lead-free PSCs are still plagued with the critical issues of low efficiency and poor stability. This is primarily due to their inadequate photovoltaic properties and chemical stability. Herein we demonstrate the use of the lead-free, allinorganic cesium tin-germanium triiodide (CsSn0.5Ge0.5I3) solid-solution perovskite as the light absorber in PSCs, delivering promising efficiency of up to 7.11%. More importantly, these PSCs show very high stability, with less than 10% decay in efficiency after 500 h …
Role Of Water On The Rotational Dynamics Of The Organic Methylammonium Cation: A First Principles Analysis, Ross D. Hoehn, Joseph S. Francisco, Sabre Kais, Ali Kachmar
Role Of Water On The Rotational Dynamics Of The Organic Methylammonium Cation: A First Principles Analysis, Ross D. Hoehn, Joseph S. Francisco, Sabre Kais, Ali Kachmar
Department of Chemistry: Faculty Publications
Understanding the degradation mechanisms of lead-halide perovskites (CH3NH3PbI3) under exposure to liquid/aerosol water is an essential problem within the photovoltaic community. Herein we investigate both the static and the dynamic properties of the methylammonuim cation (MA) as it coordinates with invading water molecules (MA.(H2O)n, n = 1, 2, 3, 4) using both stationary state quantum mechanics and first principle molecular dynamics simulations. Various solvation structures of MA were characterized by their stabilization energies, dipoles, and Maximally-Localized Wannier Function (MLWF) centers. Calculation – and analysis – of vibrational shifts in the …
The Inductive Effect In Organic Chemistry, Charles A. Kingsbury
The Inductive Effect In Organic Chemistry, Charles A. Kingsbury
Department of Chemistry: Faculty Publications
The subtle difference between the successive polarization model and the flow of electrons through sigma bonds is explored, as well as the alternating charge model of Pople and the pervasive field model. The present paper is concerned with the ability of alkyl groups to serve as sigma inductive electron donors.
Electrocaloric Effect In Ferroelectric Ceramics With Point Defects, Ming Wu, Qingshan Zhu, Jianting Li, Dongsheng Song, Honghui Wu, Mengyao Guo, Jinghui Gao, Yang Bai, Yujun Feng, Stephen J. Pennycoock, Xiaojie Lou
Electrocaloric Effect In Ferroelectric Ceramics With Point Defects, Ming Wu, Qingshan Zhu, Jianting Li, Dongsheng Song, Honghui Wu, Mengyao Guo, Jinghui Gao, Yang Bai, Yujun Feng, Stephen J. Pennycoock, Xiaojie Lou
Department of Chemistry: Faculty Publications
The electrocaloric effect has drawn much attention due to its potential application in cooling devices. A negative electrocaloric effect is predicted to be induced in defect-doped ferroelectrics by computational results [A. Grunebohm and T. Nishimatsu, Phys. Rev. B 93, 134101 (2016) and Ma et al., Phys. Rev. B 94, 094113 (2016)], but it need to be confirmed by experimental results. In this work, we prepared a 1mol. % Mn-doped Pb(Zr0.2,Ti0.8)O3 ceramics (Pb((Zr0.2,Ti0.8)0.99,Mn0.01)O3), and the electrocaloric effect of the defect-containing ferroelectric ceramics has …
Machine Learning Enabled Prediction Of Mechanical Properties Of Tungsten Disulfide Monolayer, Xinyu Wang, Dan Han, Yang Hong, Haiyi Sun, Jingzhi Zhang, Jingchao Zhang
Machine Learning Enabled Prediction Of Mechanical Properties Of Tungsten Disulfide Monolayer, Xinyu Wang, Dan Han, Yang Hong, Haiyi Sun, Jingzhi Zhang, Jingchao Zhang
Department of Chemistry: Faculty Publications
One of two-dimensional transition metal dichalcogenide materials, tungsten disulfide (WS2), has aroused much research interest, and its mechanical properties play an important role in a practical application. Here the mechanical properties of h-WS2 and t-WS2 monolayers in the armchair and zigzag directions are evaluated by utilizing the molecular dynamics (MD) simulations and machine learning (ML) technique. We mainly focus on the effects of chirality, system size, temperature, strain rate, and random vacancy defect on mechanical properties, including fracture strain, fracture strength, and Young’s modulus. We find that the mechanical properties of h-WS2 surpass those of …
In Situ Monitoring Of Linear Rgd-Peptide Bioconjugation With Nanoscale Polymer Brushes, Evmorfia Psarra, Ulla Konig, Martin Muller, Eva Bittrich, Klaus-Jochen Eichhorn, Petra B. Welzel, Manfred Stamm, Petra Uhlmann
In Situ Monitoring Of Linear Rgd-Peptide Bioconjugation With Nanoscale Polymer Brushes, Evmorfia Psarra, Ulla Konig, Martin Muller, Eva Bittrich, Klaus-Jochen Eichhorn, Petra B. Welzel, Manfred Stamm, Petra Uhlmann
Department of Chemistry: Faculty Publications
Bioinspired materials mimicking the native extracellular matrix environment are promising for biotechnological applications. Particularly, modular biosurface engineering based on the functionalization of stimuli-responsive polymer brushes with peptide sequences can be used for the development of smart surfaces with biomimetic cues. The key aspect of this study is the in situ monitoring and analytical verification of the biofunctionalization process on the basis of three complementary analytical techniques. In situ spectroscopic ellipsometry was used to quantify the amount of chemisorbed GRGDS at both the homopolymer poly(acrylic acid) (PAA) brush and the binary poly(N-isopropylacrylamide) (PNIPAAm)− PAA brushes, which was finally confirmed …
Indole Reverses Intrinsic Antibiotic Resistance By Activating A Novel Dual-Function Importer, Yan Wang, Tian Tian, Jingjing Zhang, Xin Jin, Huan Yue, Xiao-Hua Zhang, Liangcheng Du, Fan Bai
Indole Reverses Intrinsic Antibiotic Resistance By Activating A Novel Dual-Function Importer, Yan Wang, Tian Tian, Jingjing Zhang, Xin Jin, Huan Yue, Xiao-Hua Zhang, Liangcheng Du, Fan Bai
Department of Chemistry: Faculty Publications
Bacterial antibiotic resistance modulation by small signaling molecules is an emerging mechanism that has been increasingly reported in recent years. Several studies indicate that indole, an interkingdom signaling molecule, increases bacterial antibiotic resistance. However, the mechanism through which indole reduces antibiotic resistance is largely unknown. In this study, we demonstrated a novel mechanism for indole-mediated reversal of intrinsic antibiotic resistance in Lysobacter. This reversal was facilitated by a novel BtuD-associated dual-function importer that can transfer both vitamin B12 and antibiotics. Indole stimulated btuD overexpression and promoted efficient absorption of extracellular vitamin B12; meanwhile, the weak selectivity …
Catalytic Mechanism Of Amyloid-Β Peptide Degradation By Insulin Degrading Enzyme: Insights From Qm/Mm Mp2 Calculation, Rui Lai, Wei-Jen Tang, Hui Li
Catalytic Mechanism Of Amyloid-Β Peptide Degradation By Insulin Degrading Enzyme: Insights From Qm/Mm Mp2 Calculation, Rui Lai, Wei-Jen Tang, Hui Li
Department of Chemistry: Faculty Publications
Insulin degrading enzyme (IDE), a metalloprotease that degrades amyloid-β (Aβ) peptides and insulin, is associated with Alzheimer’s disease and diabetes. The mechanism of IDE catalyzed degrading of Aβ peptides, which is of fundamental importance in the design of therapeutic methods for Alzheimer’s disease, has not been fully understood. In this work, combined quantum mechanics and molecular mechanics (QM/MM) style Møller-Plesset second order perturbation theory (MP2) geometry optimization calculations are performed to investigate the catalytic mechanism of the Aβ40 Phe19-Phe20 peptide bond cleavage by human IDE. The analyses using QM/MM MP2 optimization suggest that a …
Molecular Insights Into Organic Particulate Formation, Manoj Kumar, Emily Burrell, Jason C. Hansen, Joseph S. Francisco
Molecular Insights Into Organic Particulate Formation, Manoj Kumar, Emily Burrell, Jason C. Hansen, Joseph S. Francisco
Department of Chemistry: Faculty Publications
Carboxylic acids have been detected in particles collected in various regions of the world. Here, we use experiments and Born–Oppenheimer molecular dynamics simulations to better understand the mechanism of particle formation from gas phase mixtures of formic acid (HCOOH), (CH3)3N, and water vapor. A flow reaction cell coupled to two scanning mobility particle sizers has been used to measure particle size, absolute number of particles and kinetics of particle formation. Experimental results show that the addition of (CH3)3N to a mixture of HCOOH and water vapor results in a dramatic increase in …
In-Situ-Investigation Of Enzyme Immobilization On Polymer Brushes, Meike Koenig, Ulla König, Klaus-Jochen Eichhorn, Martin Muller, Manfred Stamm, Petra Uhlmann
In-Situ-Investigation Of Enzyme Immobilization On Polymer Brushes, Meike Koenig, Ulla König, Klaus-Jochen Eichhorn, Martin Muller, Manfred Stamm, Petra Uhlmann
Department of Chemistry: Faculty Publications
Herein, we report on the use of a combined setup of quartz-crystal microbalance, with dissipation monitoring and spectroscopic ellipsometry, to comprehensively investigate the covalent immobilization of an enzyme to a polymer layer. All steps of the covalent reaction of the model enzyme glucose oxidase with the poly(acrylic acid) brush by carbodiimide chemistry, were monitored in-situ. Data were analyzed using optical and viscoelastic modeling. A nearly complete collapse of the polymer chains was found upon activation of the carboxylic acid groups with N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide and N-Hydroxysuccinimide. The reaction with the amine groups of the enzyme occurs simultaneously with re-hydration of the …