Scholarly Work - Mechanical & Industrial Engineering

Permanent URI for this collectionhttps://scholarworks.montana.edu/handle/1/8878

Browse

Now showing 1 - 20 of 107

A 3-D constitutive model for finite element analyses of agarose with a range of gel concentrations
(Elsevier BV, 2020-11) Wang, Xiaogang; June, Ronald K.; Pierce, David M.
Hydrogels have seen widespread application across biomedical sciences and there is considerable interest in using hydrogels, including agarose, for creating in vitro three-dimensional environments to grow cells and study mechanobiology and mechanotransduction. Recent advances in the preparation of agarose gels enable successful encapsulation of viable cells at gel concentrations as high as 5%. Agarose with a range of gel concentrations can thus serve as an experimental model mimicking changes in the 3-D microenvironment of cells during disease progression and can facilitate experiments aimed at probing the corresponding mechanobiology, e.g. the evolving mechanobiology of chondrocytes during the progression of osteoarthritis. Importantly, whether stresses (forces) or strains (displacements) drive mechanobiology and mechanotransduction is currently unknown. We can use experiments to quantify mechanical properties of hydrogels, and imaging to estimate microstructure and even strains; however, only computational models can estimate intra-gel stresses in cell-seeded agarose constructs because the required in vitro experiments are currently impossible. Finite element modeling is well-established for (computational) mechanical analyses, but accurate constitutive models for modeling the 3-D mechanical environments of cells within high-stiffness agarose with varying gel concentrations are currently unavailable. In this study we aimed to establish a 3-D constitutive model of high-stiffness agarose with a range of gel concentrations. We applied a multi-step, physics-based optimization approach to separately fit subsets of model parameters and help achieve robust convergence. Our constitutive model, fitted to experimental data on progressive stress-relaxations, was able to predict reaction forces determined from independent experiments on cyclical loading. Our model has broad applications in finite element modeling aimed at interpreting mechanical experiments on agarose specimens seeded with cells, particularly in predicting distributions of intra-gel stresses. Our model and fitted parameters enable more accurate finite element simulations of high-stiffness agarose constructs, and thus better understanding of experiments aimed at mechanobiology, mechanotransduction, or other applications in tissue engineering.
A Review on Recent Progress of Biodegradable Magnetic Microrobots for Targeted Therapeutic Delivery: Materials, Structure Designs, and Fabrication Methods
(ASME International, 2024-08) Cao, Yang; Nunez Michel, Karen; Alimardani, Farzam; Wang, Yi
Targeted therapeutic delivery employs various technologies to enable precise delivery of therapeutic agents (drugs or cells) to specific areas within the human body. Compared with traditional drug administration routes, targeted therapeutic delivery has higher efficacy and reduced medication dosage and side effects. Soft microscale robotics have demonstrated great potential to precisely deliver drugs to the targeted region for performing designated therapeutic tasks. Microrobots can be actuated by various stimuli, such as heat, light, chemicals, acoustic waves, electric fields, and magnetic fields. Magnetic manipulation is well-suited for biomedical applications, as magnetic fields can safely permeate through organisms in a wide range of frequencies and amplitudes. Therefore, magnetic actuation is one of the most investigated and promising approaches for driving microrobots for targeted therapeutic delivery applications. To realize safe and minimally invasive therapies, biocompatibility and biodegradability are essential for these microrobots, which eliminate any post-treatment endoscopic or surgical removals. In this review, recent research efforts in the area of biodegradable magnetic microrobots used for targeted therapeutic delivery are summarized in terms of their materials, structure designs, and fabrication methods. In the end, remaining challenges and future prospects are discussed.
Aging decreases osteocyte peri-lacunar-canalicular system turnover in female C57BL/6JN mice
(Elsevier BV, 2024-09) Vahidi, Ghazal; Boone, C.; Hoffman, F. O.; Heveran, Chelsea M.
Osteocytes engage in bone resorption and mineralization surrounding their expansive lacunar-canalicular system (LCS) through peri-LCS turnover. However, fundamental questions persist about where, when, and how often osteocytes engage in peri-LCS turnover and how these processes change with aging. Furthermore, whether peri-LCS turnover is associated with natural variation in cortical tissue strain remains unexplored. To address these questions, we utilized confocal scanning microscopy, immunohistochemistry, and scanning electron microscopy to characterize osteocyte peri-LCS turnover in the cortical (mid-diaphysis) and cancellous (metaphysis) regions of femurs from young adult (5 mo) and early-old-age (22 mo) female C57BL/6JN mice. LCS bone mineralization was measured by the presence of perilacunar fluorochrome labels. LCS bone resorption was measured by immunohistochemical marker of bone resorption. The dynamics of peri-LCS turnover were estimated from serial fluorochrome labeling, where each mouse was administered two labels between 2 and 16 days before euthanasia. Osteocyte participation in mineralizing their surroundings is highly abundant in both cortical and cancellous bone of young adult mice but significantly decreases with aging. LCS bone resorption also decreases with aging. Aging has a greater impact on peri-LCS turnover dynamics in cancellous bone than in cortical bone. Lacunae with recent peri-LCS turnover are larger in both age groups. While peri-LCS turnover is associated with variation in tissue strain between cortical quadrants and intracortical location for 22 mo mice, these associations were not seen for 5 mo mice. The impact of aging on decreasing peri-LCS turnover may have significant implications for bone quality and mechanosensation.
Assessment of models for anaerobic biodegradation of a model bioplastic: Poly(hydroxybutyrate-co-hydroxyvalerate)
(2017-03) Ryan, Cecily A.; Billington, Sarah L.; Criddle, Craig S.
Kinetic models of anaerobic digestion (AD) are widely applied to soluble and particulate substrates, but have not been systematically evaluated for bioplastics. Here, five models are evaluated to determine their suitability for modeling of anaerobic biodegradation of the bioplastic poly(hydroxybutyrate-co-hydroxyvalerate) (PHBV): (1) first-order kinetics with and without a lag phase, (2) two-step first-order, (3) Monod (4) Contois, and (5) Gompertz. Three models that couple biomass growth with substrate hydrolysis (Monod, Contois, and Gompertz) gave the best overall fits for the data , with reasonable estimates of ultimate CH4 production. The particle size limits of these models were then evaluated. Below a particle size of 0.8 mm, rates of hydrolysis and acetogenesis exceeded rates of methanogenesis with accumulation of intermediates leading to a temporary inhibition of CH4 production. Based on model fit and simplicity, the Gompertz model is recommended for applications in which particle size is greater than 0.8 mm.
Association Between Perceived Workload and Adverse Body Posture
(2019-09) Nino, Valentina; Marchak, Frank; Claudio, David
Work Related Musculoskeletal Disorders (WMSDs) can be a result of complex interactions between physical, psychosocial, biological, and individual characteristics. However, the evidence on specific associations is still inconclusive. A previous study conducted at a Sterile Processing Department (SPD) in a local hospital established an association between perceived job demands and adverse body postures. However, causal inferences were not possible to establish given the study design. Consequently, the objective of this study was to determine if perception of mental workload causes workers to use more risky body postures. Objective and subjective assessment tools (REBA and NASA-TLX scores) were used as indicators of body postures and mental workload. The findings indicated that there is a positive relationship between the perception of workload (NASA-TLX scores) and adverse body postures (REBA scores) suggesting that people tend to adopt more awkward postures when they feel they are in a rush condition or they have more things to do.
Biochar as a Renewable Substitute for Carbon Black in Lithium-Ion Battery Electrodes
(American Chemical Society, 2022-09) Kane, Seth; Storer, Aksiin; Xu, Wei; Ryan, Cecily; Stadie, Nicholas P.
Lignin-derived biochar was prepared and characterized towards potential applications as a conductive electrode additive and active lithium host material within lithium-ion batteries (LIBs). This biochar was specifically selected for its high electrical conductivity, which is comparable to that of common conductive carbon black standards (e.g., Super P). Owing to its high electrical conductivity, this biochar serves as an effective conductive additive within electrodes comprised of graphite as the active material, demonstrating slightly improved cell efficiency and rate capability over electrodes using carbon black as the additive. Despite its effectiveness as a conductive additive in LIB anodes, preliminary results show that the biochar developed in this work is not suitable as a direct replacement for carbon black as a conductive additive in LiFePO4 (LFP) cathodes. This latter insufficiency may be due to differences in particle 2 geometry between biochar and carbon black; further optimization is necessary to permit the application of biochar as a general-purpose conductive additive in LIBs. Nevertheless, these investigations combined with an assessment of greenhouse gas emissions from biochar production show that replacing carbon black with biochar can be an effective method to improve the sustainability of LIBs.
Biochar as a Renewable Substitute for Carbon Black in Lithium-Ion Battery Electrodes
(American Chemical Society, 2022-09) Kane, Seth; Storer, Aksiin; Xu, Wei; Ryan, Cecily; Stadie, Nicholas P.
Lignin-derived biochar was prepared and characterized toward potential applications as a conductive electrode additive and active lithium host material within lithium-ion batteries (LIBs). This biochar was specifically selected for its high electrical conductivity, which is comparable to that of common conductive carbon black standards (e.g., Super P). Owing to its high electrical conductivity, this biochar serves as an effective conductive additive within electrodes comprising graphite as the active material, demonstrating slightly improved cell efficiency and rate capability over those of electrodes using carbon black as the additive. Despite its effectiveness as a conductive additive in LIB anodes, preliminary results show that the biochar developed in this work is not suitable as a direct replacement for carbon black as a conductive additive in LiFePO4 cathodes. This latter insufficiency may be due to differences in particle geometry between biochar and carbon black; further optimization is necessary to permit the application of biochar as a general-purpose conductive additive in LIBs. Nevertheless, these investigations combined with an assessment of greenhouse gas emissions from biochar production show that replacing carbon black with biochar can be an effective method to improve the sustainability of LIBs.
Biocomposite Fiber-Matrix Treatments that Enhance In-Service Performance Can Also Accelerate End-of-Life Fragmentation and Anaerobic Biodegradation to Methane
(2017-07) Ryan, Cecily A.; Billington, Sarah L.; Criddle, Craig S.
Biodegradable resins can enhance the environmental sustainability of wood-plastic composites (WPCs) by enabling methane (CH4) recovery via anaerobic digestion (AD). An under appreciated step in biocomposite AD is the role of cracking and fragmentation due to moisture uptake by the wood fiber (WF) fraction. Here, we use batch microcosms to simulate AD at end-of-life and to assess the effects of fiber-matrix treatments used to retard in-service moisture uptake. The composites evaluated were injection molded poly(hydroxybutyrate-co-hydroxyvalerate) (PHBV) with WF (0, 20%) using two fiber-matrix compatibilization treatments: (1) hydrophobic silane treatment of the wood fiber and (2) grafting of hydrophilic maleic anhydride groups to the PHBV matrix. Both treatments accelerated rates of mass loss and CH4 production by a factor of 1.2-2.3 compared to neat PHBV. The fragmentation rate, as measured by mass loss, increased significantly for treated samples compared to untreated samples. A ranking of test samples from lowest to highest rates of mass loss gave the following sequence: neat PHBV ~ maleated PHBV < PHBV plus untreated WF < maleated PHBV plus untreated WF < PHBV plus silane-treated WF. Compared to the untreated samples, maleic anhydride treatment increased the mass loss rate by 30%, and silane treatment increased the mass loss rate by 92%. Onset of cracking in silane-treated composites was observed at 2 weeks (using X-ray micro-computed tomography). At the same time, solid mass loss and CH4 production peaked, implicating cracking and physical disintegration as the rate-limiting step for accelerated anaerobic degradation. When modified to account for bioplastic matrix degradation, a previously derived moisture-induced damage model could predict the onset of composite fragmentation at end-of-life. These results are significant for design of bio-WPCs and demonstrate that treatments designed to improve in-service performance can also improve end-of-life options.
Biofilm.jl: A fast solver for one-dimensional biofilm chemistry and ecology
(Elsevier BV, 2023-12) Owkes, Mark; Coblentz, Kai; Eriksson, Austen; Kammerzell, Takumi; Stewart, Philip S.
Biofilms are communities of microorganisms that grow on virtually all surfaces with sufficient nutrients including aquatic and industrial water systems and medical devices. Biofilms are complex, structured communities where the interplay of growth, metabolism, and competition between species interact with physical processes of diffusion, convection, attachment, and detachment. This work describes a model of a one-dimensional biofilm in a stirred tank reactor that incorporates these complexities. The model is implemented in the modern Julia programming language providing an efficient tool for studying a large variety of biofilms and the intricate communities the microorganisms create. Details of the new software, known as Biofilm.jl, including the mathematical model and organization and execution of the code, are provided. Examples of biofilms modeled using Biofilm.jl are presented such as a single heterotroph, sulfide-oxidizing bacteria (SOB) and sulfate-reducing bacteria (SRB), and a phototroph. Postprocessing tools are described that allow a Biofilm.jl user to make plots and extract specific values from the solution and explore the simulated biofilm results.
Biomineralization of Plastic Waste to Improve the Strength of Plastic-Reinforced Cement Mortar
(2021-04) Kane, Seth; Thane, Abby; Espinal, Michael; Lunday, Kendra; Armagan, Hakan; Phillips, Adrienne J.; Heveran, Chelsea M.; Ryan, Cecily A.
The development of methods to reuse large volumes of plastic waste is essential to curb the environmental impact of plastic pollution. Plastic-reinforced cementitious materials (PRCs), such as plastic-reinforced mortar (PRM), may be potential avenues to productively use large quantities of low-value plastic waste. However, poor bonding between the plastic and cement matrix reduces the strength of PRCs, limiting its viable applications. In this study, calcium carbonate biomineralization techniques were applied to coat plastic waste and improved the compressive strength of PRM. Two biomineralization treatments were examined: enzymatically induced calcium carbonate precipitation (EICP) and microbially induced calcium carbonate precipitation (MICP). MICP treatment of polyethylene terephthalate (PET) resulted in PRMs with compressive strengths similar to that of plastic-free mortar and higher than the compressive strengths of PRMs with untreated or EICP-treated PET. Based on the results of this study, MICP was used to treat hard-to-recycle types 3–7 plastic waste. No plastics investigated in this study inhibited the MICP process. PRM samples with 5% MICP-treated polyvinyl chloride (PVC) and mixed type 3–7 plastic had compressive strengths similar to plastic-free mortar. These results indicate that MICP treatment can improve PRM strength and that MICP-treated PRM shows promise as a method to reuse plastic waste.
Carpenter bee thorax vibration and force generation inform pollen release mechanisms during floral buzzing
(Springer Nature, 2022-08) Jankausk, Mark; Casey, Cailin; Heveran, Chelsea M.; Busby, M. Kathryn; Buchmann, Stephen
Approximately 10% of flowering plant species conceal their pollen within tube-like poricidal anthers. Bees extract pollen from poricidal anthers via floral buzzing, a behavior during which they apply cyclic forces by biting the anther and rapidly contracting their flight muscles. The success of pollen extraction during floral buzzing relies on the direction and magnitude of the forces applied by the bees, yet these forces and forcing directions have not been previously quantified. In this work, we developed an experiment to simultaneously measure the directional forces and thorax kinematics produced by carpenter bees (Xylocopa californica) during defensive buzzing, a behavior regulated by similar physiological mechanisms as floral buzzing. We found that the buzzing frequencies averaged about 130 Hz and were highly variable within individuals. Force amplitudes were on average 170 mN, but at times reached nearly 500 mN. These forces were 30–80 times greater than the weight of the bees tested. The two largest forces occurred within a plane formed by the bees’ flight muscles. Force amplitudes were moderately correlated with thorax displacement, velocity and acceleration amplitudes but only weakly correlated with buzzing frequency. Linear models developed through this work provide a mechanism to estimate forces produced during non-flight behaviors based on thorax kinematic measurements in carpenter bees. Based on the buzzing frequencies, individual bee’s capacity to vary buzz frequency and predominant forcing directions, we hypothesize that carpenter bees leverage vibration amplification to increase the deformation of poricidal anthers, and hence the amount of pollen ejected.
Carpenter bee thorax vibration and force generation inform pollen release mechanisms during floral buzzing
(Springer Science and Business Media LLC, 2022-08) Jankauski, Mark; Casey, Cailin; Heveran, Chelsea M.; Busby, M. Kathryn; Buchmann, Stephen
Approximately 10% of flowering plant species conceal their pollen within tube-like poricidal anthers. Bees extract pollen from poricidal anthers via floral buzzing, a behavior during which they apply cyclic forces by biting the anther and rapidly contracting their flight muscles. The success of pollen extraction during floral buzzing relies on the direction and magnitude of the forces applied by the bees, yet these forces and forcing directions have not been previously quantified. In this work, we developed an experiment to simultaneously measure the directional forces and thorax kinematics produced by carpenter bees (Xylocopa californica) during defensive buzzing, a behavior regulated by similar physiological mechanisms as floral buzzing. We found that the buzzing frequencies averaged about 130 Hz and were highly variable within individuals. Force amplitudes were on average 170 mN, but at times reached nearly 500 mN. These forces were 30–80 times greater than the weight of the bees tested. The two largest forces occurred within a plane formed by the bees’ flight muscles. Force amplitudes were moderately correlated with thorax displacement, velocity and acceleration amplitudes but only weakly correlated with buzzing frequency. Linear models developed through this work provide a mechanism to estimate forces produced during non-flight behaviors based on thorax kinematic measurements in carpenter bees. Based on the buzzing frequencies, individual bee’s capacity to vary buzz frequency and predominant forcing directions, we hypothesize that carpenter bees leverage vibration amplification to increase the deformation of poricidal anthers, and hence the amount of pollen ejected.
Cellulose nanocrystal based composites: A review
(2021-07) Shojaeiarani, Jamileh; Bajwa, Dilpreet S.; Chanda, Saptaparni
Cellulose nanocrystals (CNC) have received much attention as renewable, biodegradable, nontoxic, and low-cost nanomaterials with some remarkable properties. Desirable engineering properties of CNC include large surface to volume ratio, high tensile strength (~10 GPa), high stiffness (~110–130 GPa), and high flexibility. They can be chemically modified to tailor their properties for high-end engineering and biomedical applications. Despite their outstanding properties, the wide-scale application is lacking due to their surface characteristics and processing challenges. To achieve their full potential safer extraction methods, improved surface modification and functionalization methods and processing techniques are being researched. This review attempts to access methods for characterizing CNC, and CNC composites as well as their emerging new applications as smart materials. The review is a valuable resource for researchers and scientists working in industry or academia to provide an update on the use of CNC materials and their composites in packaging, biomedical, and high-efficiency energy systems.
Characterization of synovial fluid metabolomic phenotypes of cartilage morphological changes associated with osteoarthritis
(2019-08) Carlson, Alyssa K.; Rawle, Rachel A.; Wallace, Cameron W.; Brooks, Ellen G.; Adams, Erik; Greenwood, Mark C.; Olmer, Merissa; Lotz, Martin K.; Bothner, Brian; June, Ronald K.
"Objective Osteoarthritis (OA) is a multifactorial disease with etiological heterogeneity. The objective of this study was to classify OA subgroups by generating metabolomic phenotypes from human synovial fluid. Design: Post mortem synovial fluids (n = 75) were analyzed by high performance-liquid chromatography mass spectrometry (LC-MS) to measure changes in the global metabolome. Comparisons of healthy (grade 0), early OA (grades I-II), and late OA (grades III-IV) donor populations were considered to reveal phenotypes throughout disease progression. Results: Global metabolomic profiles in synovial fluid were distinct between healthy, early OA, and late OA donors. Pathways differentially activated among these groups included structural deterioration, glycerophospholipid metabolism, inflammation, central energy metabolism, oxidative stress, and vitamin metabolism. Within disease states (early and late OA), subgroups of donors revealed distinct phenotypes. Synovial fluid metabolomic phenotypes exhibited increased inflammation (early and late OA), oxidative stress (late OA), or structural deterioration (early and late OA) in the synovial fluid. Conclusion: These results revealed distinct metabolic phenotypes in human synovial fluid, provide insight into pathogenesis, represent novel biomarkers, and can move toward developing personalized interventions for subgroups of OA patients.
Characterization of velocity fluctuations and the transition from transient to steady state shear banding with and without pre-shear in a wormlike micelle solution under shear startup by Rheo-NMR
(2020-04) Al-kaby, Rehab N.; Codd, Sarah L.; Seymour, Joseph D.; Brown, Jennifer R.
Rheo-NMR velocimetry was used to study shear banding of a 6 wt.% cetylpyridinium chloride (CPCl) worm-like micelle solution under shear startup conditions with and without pre-shear. 1D velocity profiles across the fluid gap of a concentric cylinder Couette shear cell were measured every 1 s following shear startup for four different applied shear rates within the stress plateau. Fitting of the velocity profiles allowed calculation of the shear banding characteristics (shear rates in the high and low shear band, the interface position and apparent slip at the inner rotating wall) as the flow transitioned from transient to steady state regimes. Characteristic timescales to reach steady state were obtained and found to be similar for all shear banding characteristics. Timescales decreased with increasing applied shear rate. Large temporal fluctuations with time were also observed and Fourier transform of the time and velocity autocorrelation functions quantified the fluctuation frequencies. Frequencies corresponded to the elastically driven hydrodynamic instabilities, i.e. vortices, that are known to occur in the unstable high shear band and were dependent upon both applied shear rate and the pre-shear protocol.
Classroom aerosol dispersion modeling: experimental assessment of a low-cost flow simulation tool
(Royal Society of Chemistry, 2023-01) Dacunto, P.; Nam, S.; Hirn, M.; Rodriguez, A.; Owkes, M.; Benson, M.
The purpose of this study was to assess the utility of a low-cost flow simulation tool for an indoor air modeling application by comparing its outputs with the results of a physical experiment, as well as those from a more advanced computational fluid dynamics (CFD) software package. Five aerosol dispersion tests were performed in two different classrooms by releasing a CO2 tracer gas from six student locations. Resultant steady-state concentrations were monitored at 13 locations around the periphery of the room. Subsequently, the experiments were modeled using both a low-cost tool (SolidWorks Flow Simulation) and a more sophisticated tool (STAR-CCM+). Models were evaluated based on their ability to predict the experimentally measured concentrations at the 13 monitoring locations by calculating four performance parameters commonly used in the evaluation of dispersion models: fractional mean bias (FB), normalized mean-square error (NMSE), fraction of predicted value within a factor of two (FAC2), and normalized absolute difference (NAD). The more sophisticated model performed better in 15 of the 20 possible cases (five tests at four parameters each), with parameters meeting acceptance criteria in 19 of 20 cases. However, the lower-cost tool was only slightly worse, with parameters meeting acceptance criteria in 18 of 20 cases, and it performed better than the other tool in 3 of 20 cases. Because it provides useful results at a fraction of the monetary and training cost and is already widely accessible to many institutions, such a tool may be worthwhile for many indoor aerosol dispersion applications, especially for students or researchers just beginning CFD modeling.
Code to calculate interfacial interactions for polymer blends and composites
(Montana State University, 2018-12) Arroyo, Jesse; Ryan, Cecily A.
This code uses the Owens-Wendt theory to calculate surface energies of polymers and fillers from contact angle measurements and predict phase separation and nanofiller localization based on interfacial tensions. This code predicts the morphology of a 2-phase polymer blend and the localization of a nano-particulate using the geometric mean equation, and contact angles of each polymer.
Combining Targeted Metabolomic Data with a Model of Glucose Metabolism: Toward Progress in Chondrocyte Mechanotransduction
(2016-01) Salinas, Daniel; Minor, Cody A.; Carlson, Ross P.; McCutchen, Carley N.; Mumey, Brendan M.; June, Ronald K.
Osteoarthritis is a debilitating disease likely involving altered metabolism of the chondrocytes in articular cartilage. Chondrocytes can respond metabolically to mechanical loads via cellular mechanotransduction, and metabolic changes are significant because they produce the precursors to the tissue matrix necessary for cartilage health. However, a comprehensive understanding of how energy metabolism changes with loading remains elusive. To improve our understanding of chondrocyte mechanotransduction, we developed a computational model to calculate the rate of reactions (i.e. flux) across multiple components of central energy metabolism based on experimental data. We calculated average reaction flux profiles of central metabolism for SW1353 human chondrocytes subjected to dynamic compression for 30 minutes. The profiles were obtained solving a bounded variable linear least squares problem, representing the stoichiometry of human central energy metabolism. Compression synchronized chondrocyte energy metabolism. These data are consistent with dynamic compression inducing early time changes in central energy metabolism geared towards more active protein synthesis. Furthermore, this analysis demonstrates the utility of combining targeted metabolomic data with a computational model to enable rapid analysis of cellular energy utilization.
Cooperative Adsorption and Diffusion of Small Alcohols in Metal–Organic Framework ZIF-8 and Intrinsically Microporous Polymer PTMSP
(American Chemical Society, 2024-08) Rutherford, Steven W.
Fundamental understanding of molecular interactions and transport within microporous materials displaying cooperative Type V adsorption is challenged by the unique features of this isotherm type. In order to capture a broad understanding of this uncommon, yet industrially relevant, behavior in microporous materials, this investigation examines the adsorption equilibria and kinetics of methanol and ethanol in both a metal–organic framework (MOF) material, ZIF-8, and a high free volume polymer of intrinsic microporosity, poly[1-(trimethylsilyl)-1-propyne] (PTMSP). A novel formulation that can capture the cooperative effects of small alcohols in its description of adsorption equilibria and kinetics is proposed. It is subsequently applied to successfully capture some previously uncharacterized or semiempirically characterized data for equilibria and the loading dependence of the diffusivity in both ZIF-8 and PTMSP, which are materials chosen for their industrial relevance. Finally, it is anticipated that the results of this study can fill the current void that exists in meaningful mechanistic and analytical descriptions of cooperative equilibrium and diffusion phenomena in microporous materials.
Correlations between metabolites in the synovial fluid and serum: A mouse injury study
(Wiley, 2022-03) Wallace, Cameron W.; Hislop, Brady; Hahn, Alyssa K.; Erdogan, Ayten E.; Brahmachary, Priyanka P.; June, Ronald K.
Osteoarthritis occurs frequently after joint injury. Currently, osteoarthritis is diagnosed by radiographic changes that are typically found after the disease has progressed to multiple tissues. The primary objective was to compare potential metabolomic biomarkers of joint injury between synovial fluid and serum in a mouse model of posttraumatic osteoarthritis. The secondary objective was to gain insight into the pathophysiology of osteoarthritis by examining metabolomic profiles after joint injury. Twelve-week-old adult female C57BL/6 mice (n = 12) were randomly assigned to control, Day 1, or Day 8 postinjury groups. Randomly selected stifle joints were subjected to a single rapid compression. At Days 1 and 8 postinjury, serum was extracted before mice were euthanized for synovial fluid collection. Metabolomic profiling detected ~2500 metabolites across serum and synovial fluid. Of these, 179 were positively correlated and 51 were negatively correlated between synovial fluid and serum, indicating the potential for the development of metabolomic biomarkers. Synovial fluid captured injury-induced differences in metabolomic profiles at both Days 1 and 8 after injury whereas serum did not. However, synovial fluid and serum were distinct at both time points after injury. In synovial fluid, pathways of interest mapped to amino acid synthesis and degradation, bupropion degradation, and transfer RNA (tRNA) charging. In serum, pathways were amino acid synthesis and degradation, the phospholipase pathway, and nicotine degradation. These results provide a rich picture of the injury response at early time points after joint injury. Furthermore, the correlations between synovial fluid and serum metabolites suggest the potential to gain insight into intra-articular pathophysiology through analysis of serum metabolites.