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• Expertise in building deep tech teams, raising capital, and converting novel technology…
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🔋✨ Here it is - the heartbeat of innovation. Our high-energy-dense Li-metal battery pack is live! This is more than just a voltage measurement -…
🔋✨ Here it is - the heartbeat of innovation. Our high-energy-dense Li-metal battery pack is live! This is more than just a voltage measurement -…
Liked by Patrick Fuller
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The NanoGraf team was in Las Vegas last week for the Advanced Automotive Battery Conference. Thanks, Tim Porcelli, for holding down the booth…
The NanoGraf team was in Las Vegas last week for the Advanced Automotive Battery Conference. Thanks, Tim Porcelli, for holding down the booth…
Liked by Patrick Fuller
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It is great to be representing Numat at CBDS&T this week.
It is great to be representing Numat at CBDS&T this week.
Liked by Patrick Fuller
Experience
Education
Publications
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Metal-Organic Frameworks for Oxygen Storage
Angewandte Chmie
We present a systematic study of metal–organic frameworks (MOFs) for the storage of oxygen. The study starts with grand canonical Monte Carlo simulations on a suite of 10 000 MOFs for the adsorption of oxygen. From these data, the MOFs were down selected to the prime candidates of HKUST-1 (Cu-BTC) and NU-125, both with coordinatively unsaturated Cu sites. Oxygen isotherms up to 30 bar were measured at multiple temperatures to determine the isosteric heat of adsorption for oxygen on each MOF by…
We present a systematic study of metal–organic frameworks (MOFs) for the storage of oxygen. The study starts with grand canonical Monte Carlo simulations on a suite of 10 000 MOFs for the adsorption of oxygen. From these data, the MOFs were down selected to the prime candidates of HKUST-1 (Cu-BTC) and NU-125, both with coordinatively unsaturated Cu sites. Oxygen isotherms up to 30 bar were measured at multiple temperatures to determine the isosteric heat of adsorption for oxygen on each MOF by fitting to a Toth isotherm model. High pressure (up to 140 bar) oxygen isotherms were measured for HKUST-1 and NU-125 to determine the working capacity of each MOF. Compared to the zeolite NaX and Norit activated carbon, NU-125 has an increased excess capacity for oxygen of 237 % and 98 %, respectively. These materials could ultimately prove useful for oxygen storage in medical, military, and aerospace applications.
Other authorsSee publication -
Universal Area Distributions in the Monolayers of Confluent Mammalian Cells
Physical Review Letters
When mammalian cells form confluent monolayers completely filling a plane, these apparently random “tilings” show regularity in the statistics of cell areas for various types of epithelial and endothelial cells. The observed distributions are reproduced by a model which accounts for cell growth and division, with the latter treated stochastically both in terms of the sizes of the dividing cells as well as the sizes of the “newborn” ones—remarkably, the modeled and experimental distributions fit…
When mammalian cells form confluent monolayers completely filling a plane, these apparently random “tilings” show regularity in the statistics of cell areas for various types of epithelial and endothelial cells. The observed distributions are reproduced by a model which accounts for cell growth and division, with the latter treated stochastically both in terms of the sizes of the dividing cells as well as the sizes of the “newborn” ones—remarkably, the modeled and experimental distributions fit well when all free parameters are estimated directly from experiments.
Other authorsSee publication -
Motility efficiency and spatiotemporal synchronization in non-metastatic vs. metastatic breast cancer cells
Integrative Biology
Metastatic breast cancer cells move not only more rapidly and persistently than their non-metastatic variants but in doing so use the mechanical work of the cytoskeleton more efficiently. The efficiency of the cell motions is defined for entire cells (rather than parts of the cell membrane) and is related to the work expended in forming membrane protrusions and retractions. This work, in turn, is estimated by integrating the protruded and retracted areas along the entire cell perimeter and is…
Metastatic breast cancer cells move not only more rapidly and persistently than their non-metastatic variants but in doing so use the mechanical work of the cytoskeleton more efficiently. The efficiency of the cell motions is defined for entire cells (rather than parts of the cell membrane) and is related to the work expended in forming membrane protrusions and retractions. This work, in turn, is estimated by integrating the protruded and retracted areas along the entire cell perimeter and is standardized with respect to the net translocation of the cell. A combination of cross-correlation, Granger causality, and morphodynamic profiling analyses is then used to relate the efficiency to the cell membrane dynamics. In metastatic cells, the protrusions and retractions are highly “synchronized” both in space and in time and these cells move efficiently. In contrast, protrusions and retractions formed by non-metastatic cells are not “synchronized” corresponding to low motility efficiencies. Our work provides a link between the kinematics of cell motions and their energetics. It also suggests that spatiotemporal synchronization might be one of the hallmarks of invasiveness of cancerous cells.
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Chemical Network Algorithms for the Risk Assessment and Management of Chemical Threats
Angewandte Chemie
Current regulatory protocols are insufficient to monitor and block many short-route syntheses of chemical weapons, including those that start from household products. Network searches combined with game-theory algorithms provide an effective means of identifying and eliminating chemical threats. (Picture: an algorithm-detected pathway that yields sarin (bright red node) in three steps from unregulated substances.)
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Parallel Optimization of Synthetic Pathways within the Network of Organic Chemistry
Angewandte Chemie
The number of possible synthetic pathways leading to the desired target of a synthesis can be astronomical (1019 within five synthetic steps). Algorithms are described that navigate through the entire known chemical-synthetic knowledge to identify optimal synthetic pathways. Examples are provided to illustrate single-target optimization and parallel optimization of syntheses leading to multiple targets.
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Nanoparticle Core/Shell Architectures within MOF Crystals Synthesized by Reaction Diffusion
Angewandte Chemie
The combination of reaction and diffusion has been used to deposit nanoparticles inside of cyclodextrin MOFs, either uniformly or in a core/shell manner. Such processes can also be combined with galvanic exchange reactions to provide a flexible route to the location-specific post-processing of MOFs. When dissolved, the core/shell MOFs liberate nanoparticles of different types sequentially.
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Transport into Metal–Organic Frameworks from Solution Is Not Purely Diffusive
Angewandte Chemie
A combination of confocal microscopy and reaction-diffusion modeling provided a powerful toolkit with which solution transport into metal–organic framework crystals was studied. Commonly used pure diffusion models are insufficient to describe this process and, instead, it is necessary to account for the interactions of the guest molecules and the MOF scaffold.
Projects
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Thiol Functionalized Metal-Organic Frameworks As Highly Effective Packed-Bed Mercury Removal Sorbents
Packed-bed separation is one of the oldest and most effective tools in a chemical engineer’s arsenal for removing impurities from gas (or liquid) mixtures. Typically, beds are filled with granular, high surface area sorbents that bind (or react) with only specific components in the gas mixture (e.g., mercury in natural gas). A key challenge in designing packed-beds is finding sorbents that interact strongly with the impurity but not with other components desired in the product stream (e.g.…
Packed-bed separation is one of the oldest and most effective tools in a chemical engineer’s arsenal for removing impurities from gas (or liquid) mixtures. Typically, beds are filled with granular, high surface area sorbents that bind (or react) with only specific components in the gas mixture (e.g., mercury in natural gas). A key challenge in designing packed-beds is finding sorbents that interact strongly with the impurity but not with other components desired in the product stream (e.g., methane), as well as meeting a range of important engineering criteria (e.g., low pressure-drop, cost). There is a new class of porous materials called metal–organic frameworks (MOFs) that are ideal for gas storage and separations applications due to their record breaking surface areas (> 7,000 m2/g), high thermal stability, and the unique ability to custom design the shape and chemistry of the pores to maximize performance in a target application. Here we propose an optimal MOF design for large-scale mercury removal from natural gas streams based on the incorporation of thiol functional groups, which are well-known to bind strongly to mercury. The resulting MOF is much lighter than the existing solutions (density ~0.4 g/mL vs. ~0.95 g/mL), is not pyrophoric, has significantly higher surface area (~3000 m2/g) and is able to bind H2S in addition to mercury.
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High density energy storage using self-assembled materials (visualization)
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Many alternative fuels that may help slow down global warming suffer from technical barriers. Hydrogen and methane gas (also called 'natural gas') are both more environmentally friendly than gasoline, but contain very little energy per unit of volume. This video shows how self-assembled porous materials can lead to fuel tanks that are able to highly concentrate gaseous fuels and thus hold a lot of energy in a small space. Cutting edge algorithms and materials are depicted, drawing from research…
Many alternative fuels that may help slow down global warming suffer from technical barriers. Hydrogen and methane gas (also called 'natural gas') are both more environmentally friendly than gasoline, but contain very little energy per unit of volume. This video shows how self-assembled porous materials can lead to fuel tanks that are able to highly concentrate gaseous fuels and thus hold a lot of energy in a small space. Cutting edge algorithms and materials are depicted, drawing from research and development in the previous two years at Northwestern University in the Snurr and Hupp laboratories.
This video was created for the 2011 NSF International Science & Engineering Visualization Challenge.Other creatorsSee project -
Algae bio-scrubbing: an economic, environmental, and sustainable nitrate capture system
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Fertilizers are an economic necessity in modern agriculture; however, many of the nitrates in these fertilizers end up in the runoff water from soil drainage networks. Current solutions are expensive and labor intensive, often forcing farmers to sequester valuable land for the creation of synthetic wetlands. This paper proposes a solution influenced by recent advances in chemical engineering- using natural biological processes to solve synthetically rooted problems. In particular, algae can be…
Fertilizers are an economic necessity in modern agriculture; however, many of the nitrates in these fertilizers end up in the runoff water from soil drainage networks. Current solutions are expensive and labor intensive, often forcing farmers to sequester valuable land for the creation of synthetic wetlands. This paper proposes a solution influenced by recent advances in chemical engineering- using natural biological processes to solve synthetically rooted problems. In particular, algae can be utilized to consume pollutants in these drainage streams, producing nitrate-rich biomass recoverable for use as fertilizer. Being mindful of various process parameters, an economic retrofit can be designed to maximize reaction kinetics and ease of maintenance, while minimizing cost and eliminating land requirements.
This project was with the Environmental Defense Fund via Innocentive.
Languages
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English
Native or bilingual proficiency
More activity by Patrick
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I'm so excited to share our latest AIGR podcast episode featuring Lawrence H. Summers, former U.S. Treasury Secretary and Harvard President. This…
I'm so excited to share our latest AIGR podcast episode featuring Lawrence H. Summers, former U.S. Treasury Secretary and Harvard President. This…
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As we get closer to the end of the year, hopefully your schedule is slowing down a little. If you are banking some time to do some catch up reading…
As we get closer to the end of the year, hopefully your schedule is slowing down a little. If you are banking some time to do some catch up reading…
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URI recently completed a water treatment plant to remove PFAS from our drinking water supply. It is the first municipal-level facility in Rhode…
URI recently completed a water treatment plant to remove PFAS from our drinking water supply. It is the first municipal-level facility in Rhode…
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Jonathan Hennek and the team at Lila Sciences are building something big: "Scientific Superintelligence," with a large focus on autonomous materials…
Jonathan Hennek and the team at Lila Sciences are building something big: "Scientific Superintelligence," with a large focus on autonomous materials…
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Come join my team! We have two amazing opportunities on the Automation team at Lila Sciences! I'm genuinely excited about the talent that's coming…
Come join my team! We have two amazing opportunities on the Automation team at Lila Sciences! I'm genuinely excited about the talent that's coming…
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When I was a young officer in the SEAL Teams, working for Stan McChrystal, I remember him describing to a few of us the history behind why forces…
When I was a young officer in the SEAL Teams, working for Stan McChrystal, I remember him describing to a few of us the history behind why forces…
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Around Thanksgiving, many people express gratitude for their families, friends, and health. Me? I am thankful for the bountiful harvest of funding…
Around Thanksgiving, many people express gratitude for their families, friends, and health. Me? I am thankful for the bountiful harvest of funding…
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I am both excited and proud of Jacob Rubens, who recently became a Flagship Pioneering Business Unit lead, one of Flagship’s most critical leadership…
I am both excited and proud of Jacob Rubens, who recently became a Flagship Pioneering Business Unit lead, one of Flagship’s most critical leadership…
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Last night was awesome! Thanks to everyone who came out for the Lila Sciences x NVIDIA event, Toward Scientific Superintelligence. This is just the…
Last night was awesome! Thanks to everyone who came out for the Lila Sciences x NVIDIA event, Toward Scientific Superintelligence. This is just the…
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Lila Sciences had a great time at #NeurIPS2024! Thanks to everyone who came out to our event last night- it was awesome to meet you and share a…
Lila Sciences had a great time at #NeurIPS2024! Thanks to everyone who came out to our event last night- it was awesome to meet you and share a…
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I’m thrilled to share that our demo proposal, "A Hands-on Demonstration of an Open Foundation Model for Materials and Chemistry," has been accepted…
I’m thrilled to share that our demo proposal, "A Hands-on Demonstration of an Open Foundation Model for Materials and Chemistry," has been accepted…
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I'm delighted to share that Impossible Fibers and Speculative Technologies was 1 of the 42 awardees from Defense Advanced Research Projects Agency…
I'm delighted to share that Impossible Fibers and Speculative Technologies was 1 of the 42 awardees from Defense Advanced Research Projects Agency…
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Big news for Illinois, Chicago and the South Side as IBM joins University of Chicago President Paul Alivisatos and Governor JB Pritzker to announce…
Big news for Illinois, Chicago and the South Side as IBM joins University of Chicago President Paul Alivisatos and Governor JB Pritzker to announce…
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Introducing Onyx™: our newest silicon anode battery material. It's our highest-performance product yet. Onyx™ is 30% denser than synthetic…
Introducing Onyx™: our newest silicon anode battery material. It's our highest-performance product yet. Onyx™ is 30% denser than synthetic…
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