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‘Alexa for chemistry’: National Science Foundation puts VCU and partners on fast track to build open network featured image

‘Alexa for chemistry’: National Science Foundation puts VCU and partners on fast track to build open network

D. Tyler McQuade, Ph.D., professor in the Department of Chemical and Life Science Engineering at Virginia Commonwealth University College of Engineering, is principal investigator of a multi-university project seeking to use artificial intelligence to help scientists come up with the perfect molecule for everything from a better shampoo to coatings on advanced microchips. The project is one of the first in the U.S. to be selected for $994,433 in funding as part of a new pilot project of the National Science Foundation (NSF) called the Convergence Accelerator (C-Accel). McQuade and his collaborators will pitch their prototype in March 2020 in a bid for additional funding of up to $5 million over five years. Adam Luxon, a Ph.D. student in the Department of Chemical and Life Science Engineering who has been involved from the beginning, explained it this way: “We want to essentially make the Alexa of chemistry.” Just as Amazon, Google and Netflix use data algorithms to suggest customized predictions, the team plans to build a platform and open knowledge network that can combine and help users make sense of molecular sciences data pulled from a wide range of sources including academia, industry and government. The idea is right in line with the goal of the NSF program: to speed up the transition of convergence research into practice in nationally critical areas such as “Harnessing the Data Revolution.” The team itself reflects expertise across several specialties. Working with McQuade are James K. Ferri, Ph.D., professor in the Department of Chemical and Life Science Engineering; Carol A. Parish, Ph.D., professor of chemistry and the Floyd D. and Elisabeth S. Gottwald Chair in the Department of Chemistry at the University of Richmond; and Adrian E. Roitberg, Ph.D., professor in the Department of Chemistry at University of Florida. Two companies are also involved with the project: Two Six Labs, based in Arlington, Virginia, and Fathom Information Design, based in Boston, Massachusetts. Currently, there is no shared network or central portal where molecular scientists and engineers can harness artificial intelligence and data science tools to build models to support their needs. What’s more, while scientists have been able to depict what elements make up a molecule, how the atoms are arranged in space and what the properties of that molecule are (such as its melting point), there is no standard way to represent — or predict — molecular performance. The team aims to fill these gaps by advancing the concept of a “molecular imprint.” The collaborators will create a new system that represents molecules by combining line-drawing, geometry and quantum chemical calculations into a single, machine-learnable format. They will develop a central platform for collecting data, creating these molecular imprints and developing algorithms for mining the data, and will develop machine learning tools to create performance prediction models. Parish said, “The ability to compute molecular properties using computational techniques, and to dovetail that data with experimental measurements, will generate databases that will produce the most comprehensive results in the molecular sciences. “There are many laboratories around the world working in this space; however, there are few organizational structures available that encourage open sharing of these data for the benefit of the community and the common good. We seek to collaborate with others to provide this structure; an open knowledge network or repository where scientists can deposit their molecular-level experimental and computational data in exchange for user-friendly tools to help manage and query the data.” The initial response to their idea has been strong from potential partners. Ferri and the others have already collected more than a dozen letters from major corporations such as Dow and Merck expressing interest in participating. Also on board are Idaho National Laboratory and Argonne National Laboratory, as well as national chemical engineering and chemistry organizations. McQuade said that chemical engineers in major industries including consumer products and oil and gas producers expend a lot of effort running experiments to determine the molecule they want to use, such as finding the best shampoo additive that doesn’t make babies cry. “The ability to design the properties you want is still more art than science.” The team also plans to develop a toolkit for processing and visualizing the data. Roitberg, whose research focuses include advanced visualization, said this could take the form of a virtual reality realm in which a user could find materials that are soluble in water but not oil, for instance, and then be able to browse for similar materials nearby. “We envision a very interactive platform where the user can explore relations between data and desired material properties,” he said. 

4 min. read
At VCU, engineering and pharmacy join forces to make inhaled medications more effective for infants and children featured image

At VCU, engineering and pharmacy join forces to make inhaled medications more effective for infants and children

Pharmaceutical aerosols are painless, fast-acting and less likely to cause side effects than medicines delivered via pills or injections. Yet inhaled therapies are often avoided because of the challenges associated with targeting how aerosol particles are deposited within the lung. “Current inhalers produce fairly large particles, so approximately 90 percent of the medication gets lost in the mouth and throat. It’s swallowed and wasted. This prevents many medications from being delivered through the inhalation route, even though there are a number of advantages to be gained, such as improved efficacy and reduced side effects,” said Worth Longest, Ph.D., the Louis S. and Ruth S. Harris Exceptional Scholar Professor in the Department of Mechanical and Nuclear Engineering in the VCU College of Engineering. Simply making the particles smaller isn’t a solution. “The problem with making the particles smaller is that they go in really well — but they also come straight back out during exhalation,” said Michael Hindle, Ph.D., the Peter R. Byron Distinguished Professor in the VCU School of Pharmacy. With three National Institutes of Health R01 grants totaling more than $7 million, Longest and Hindle are applying a combined engineering and pharmaceutical approach to make inhaled medications more effective and available. In “High-Efficiency Aerosol Delivery Using the Excipient Enhanced Growth Concept: A Human Proof of Concept Study,” Longest and Hindle have created a novel platform that produces particles that are tiny when they enter the lungs — but grow in size as they travel down the warm, humid airways. This platform comprises a device that uses a mixer-heater to produce tiny particles, about one-fifth the size of those from conventional inhalers. With this delivery concept, a pharmaceutical powder or liquid is enhanced with a hygroscopic excipient, essentially a substance that attracts water. “Your lungs are full of water,” Hindle said. “So if you put something inside your lungs that likes water, it’s going to swell and grow in size and not be expelled.” Using sodium chloride — salt — as the hygroscopic excipient, they have tested their system in vitro. The results have been promising. “We’ve flipped the needle,” Longest said. “Previously, only 10 percent of the initial dose would reach the lung, and that 10 percent was poorly targeted within different lung regions. With our approach, you can get 90 percent in and distribute that 90 percent evenly, or target a specific lung region.” The researchers will begin testing their method on adults in two human proof-of-concept trials beginning in late 2019 and early 2020. In two separate, but related, NIH studies, Longest and Hindle are adapting this concept for patients ranging in age from newborn to six. Each project proposes a device approximately the size of a lipstick tube that contains a pediatric formulation (liquid or powder) enhanced with a hygroscopic excipient. There are currently no inhalers on the market specifically designed for children or infants, even though their inhaling patterns and volumes differ from those of adults. Pediatric patients therefore must use adult-sized devices. One study focuses on targeted lung delivery of the antibiotic tobramycin to children with cystic fibrosis, a population prone to respiratory infection because of overproduction of mucus in the lungs. Pediatric cystic fibrosis patients with lung infections usually receive the medication via, 20-minute nebulizer treatments daily, sometimes up to four per day. Longest and Hindle’s proposed alternative is a pediatric dry powder inhaler that is fast and easy to use. Because its particles are engineered to reach the deep lung, it is expected to eradicate infection more efficiently because there is less risk of resistant strains of bacteria forming in undertreated regions of the lung. The other study focuses on delivery of surfactant aerosols to premature infants. Surfactant is a substance found in healthy lungs that keeps the tissue supple enough to expand and contract properly. The respiratory system is among the last to develop in utero, so in newborns and preemies, this substance is sometimes not fully developed — or not present at all. When these infants experience severe respiratory distress, the current protocol is to intubate and administer large doses of liquid surfactant to the lung by way of the throat. This highly invasive and potentially dangerous procedure causes distress and blood pressure fluctuations. In this third NIH-funded study, the researchers are also developing a tiny, small volume nebulizer and a dry powder inhaler for efficient, noninvasive respiratory support for infants.

3 min. read
Meet Supathorn Phongikaroon, Ph.D., director of Virginia's only comprehensive nuclear engineering degree program featured image

Meet Supathorn Phongikaroon, Ph.D., director of Virginia's only comprehensive nuclear engineering degree program

As director of engineering at the Virginia Commonwealth University College of Engineering, Supathorn Phongikaroon, Ph.D., leads Virginia's only nuclear engineering education program offering bachelor's, master's and doctoral degrees. VCU Engineering is also home to the nation's only hybrid doctorate in mechanical and nuclear engineering.  Phongikaroon is a nationally recognized expert on nuclear waste minimization. He has developed novel ways to process and store used nuclear fuel. He has also developed new techniques to ensure safeguard special nuclear materials. Prior joining the Virginia Commonwealth University (VCU) in January 2014, he held academic and research positions at University of Idaho in Idaho Falls, Idaho; the Idaho National Laboratory in Idaho Falls, Idaho; and the U.S. Naval Research Laboratory in Washington, D.C. Phongikaroon grew up in a restaurant family. While working at the Idaho National Laboratory, he authored "Thaidaho," a cookbook for creating Thai cuisine in American kitchens.

1 min. read
5G Wireless Coming in 2020 featured image

5G Wireless Coming in 2020

2020 is the goal for launching 5G, a collection of technologies that is expected to increase cellular technology worldwide by 1,000 times the capacity, 100 times more devices and 10 times less delay. “5G is about connecting everything everywhere, anything you can imagine,” says Mojtaba Vaezi, PhD, assistant professor of electrical and computer engineering at Villanova’s College of Engineering, whose area of expertise is wireless communication, signal processing and information and communication technology. Partly because of our changing habits there are applications that will need higher speed, and 5G will increase their capacity. “We’re consuming more and more data these days, so we need higher volume of data. The new generation watches TV online and plays games online. They want to select whatever they like and download it when they want it,” says Dr. Vaezi. “The speed of communication is going to increase about 10 to 20 times, so if it takes one minute to download a movie in your cell phone today, in a few years we’ll be able to download a movie in three to six seconds.” 4G technology has mostly been about connecting cell phones, but 5G will be about connecting all kinds of devices: Cars will be able to connect to other cars, traffic lights and cell phones; customers ordering online will be able to track their package as it travels across the ocean; trucks will connect to each other, sharing information such as if a route needs to be changed. There are many applications, from driverless cars to surgeries on a patient in one country done remotely by a doctor in another country, connecting thousands of miles away in just a fraction of seconds. There are always challenges associated with new technology, however. In particular, 5G researchers worldwide have been working for a decade to increase the capacity and number of connections foreseen for 5G networks. In 4G and previous generations, each cell phone would transmit in distance frequencies, otherwise they’d interfere with each other. In 5G and beyond, cell phones may share their frequencies with other cell phones or devices, or we wouldn’t be able to accommodate the exploding number of new devices. This will introduce inter-device interference which is a challenge. Now, we have two or four antennas packed inside the phone. Soon, mobile towers and cell phones will have tens of antennas, further increasing capacity.

2 min. read
Gene therapy and the next frontier of medicine featured image

Gene therapy and the next frontier of medicine

Genetic testing today is mainstream, marketing to consumers who want to know where in Europe they came from or what types of hereditary diseases they could develop. For around $200 you can trace your family tree to learn your origins or identify genetic abnormalities that could signal disease. James Dahlman, assistant professor in the College of Engineering’s biomedical engineering department, specializes in genetics and believes these genotyping services can be helpful, as long as they are used responsibly. “If you’re going to start making medical predictions, you have to be careful,” said Dahlman. “Most people are not equipped to interpret statistics correctly, which can lead to negative predicting and ethical dilemmas. In a few years, genetic counselors will be in high demand so folks can make better decisions about their health.” Dahlman is fascinated by genetics, citing gene therapy as the most interesting field in the world. And it’s a field that he is revolutionizing through his research. Gene therapy is an experimental technique that uses genes to treat or prevent diseases, including hemophilia, Parkinson’s, cancer and HIV. It can help manage a number of diseases by leveraging genes instead of drugs or surgery. Although gene therapy shows promise, there are still risks involved, including unwanted immune system reactions or the risk of the wrong cells being targeted. That’s where Dahlman’s research comes in. Dahlman’s lab focuses on drug delivery vehicles, which are nanoparticles. The nanoparticle delivers gene therapies to the right place in the body to fight disease. It’s critical that the gene therapies only target the unhealthy cells to avoid damaging healthy ones. Dahlman is laser focused on ensuring the nanoparticles know what paths to take to reach the correct organ to start the healing process. “The issue with genetically-engineered drugs is that they don’t work unless they get to the right cell in the body,” said Dahlman. “You can have the world’s best genetic drug that's going to fix a tumor or eradicate plaque, but it’s not going to be effective unless it travels to the right organ. In my lab, we design different nanoparticles to deliver the genetically-engineered drugs to the correct location.” The field of genetic therapy is fascinating – and if you are a journalist looking to cover this topic or have questions for upcoming stories – let our experts help. James Dahlman is an Assistant Professor in the Georgia Tech BME Department. He is an expert in the area of biomedical engineering and uses molecular biology to rationally design the genetic drugs he delivers. This research is redefining the field of genetic therapy. Dr. Dahlman is available to speak with media – simply click on his icon to arrange an interview.

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2 min. read
Experts available to discuss vaping and new tobacco products featured image

Experts available to discuss vaping and new tobacco products

A host of new tobacco products, including e-cigarettes like JUULs, have entered the market in recent years, bringing new public health concerns with them. Researchers at the University of North Carolina at Chapel Hill are studying the health and societal impacts of emerging tobacco products. UNC-Chapel Hill experts are available to discuss topics including e-cigarettes’ health impacts, their failure as smoking cessation tools, the differences in how smoking and vaping affect the body, and e-cigarette explosions and the resulting chemical burn injuries. If you’d like to speak with an expert, call (919) 445-8555 or email mediarelations@unc.edu. Dr. M. Bradley Drummond is an associate professor of medicine at UNC School of Medicine and the director of the Obstructive Lung Diseases Clinical and Translational Research Center. He can discuss the health consequences of these new tobacco products and how they vary from traditional cigarettes. He can also discuss how these products exacerbate other conditions like chronic obstructive pulmonary disease, asthma and other chronic lung diseases. Dr. Adam Goldstein is a professor in the UNC department of family medicine, the director of tobacco intervention programs at UNC School of Medicine, and a member of UNC Lineberger Comprehensive Cancer Center. He can discuss the potential drawbacks versus any potential benefit of using these products as smoking cessation tools and can share evidence-based strategies to stop smoking. He can also speak to trends in teen tobacco use.   Dr. Ilona Jaspers is a professor of pediatrics and microbiology & immunology, director of the Curriculum in Toxicology, and deputy director of the Center for Environmental Medicine, Asthma and Lung Biology all at the UNC School of Medicine, and professor of Environmental Sciences and Engineering at the UNC Gillings School of Global Public Health. She can discuss the current scientific understanding of the health effects of vaping or juuling, a subject on which she has published widely. Kurt Ribisl is a professor and chair of the department of health behavior at UNC Gillings School of Global Public Health and the program leader for Cancer Prevention and Control at UNC Lineberger Comprehensive Cancer Center. Ribisl specializes in tobacco policy and regulation and can speak to taxation, advertising and marketing of new tobacco products and recommendations for preventing youth access.  Robert Tarran is a professor of cell biology and physiology at UNC School of Medicine, a member of UNC Marsico Lung Institute, and a member of UNC Lineberger Comprehensive Cancer Center. He can discuss the science of vaping, including how e-cigarettes impact a person’s lungs, including their genes and what happens to the lung’s immune system. He can also speak to the varying toxic effects of different e-cigarette flavors. Rebecca Williams is a research associate at UNC Lineberger Comprehensive Cancer Center. She is a leading expert on internet tobacco sales, age verification, technology and emerging tobacco products, including the wide variety of vaping devices available today. Her research has shown that online e-cigarette vendors routinely sold to minors, a finding that underscores the need for regulations requiring and enforcing age verification for the online sale of e-cigarettes. She can discuss the sales and marketing practices of websites that sell emerging tobacco products, and underage access to these online products. 

3 min. read
A new HIV treatment aimed at women could be on the horizon – let our experts explain for your stories. featured image

A new HIV treatment aimed at women could be on the horizon – let our experts explain for your stories.

Did you know? 18.8 million women and girls are living with HIV AIDS-related illnesses are the leading cause of death among females between the age of 15 and 49 1.8 million children are born with HIV, contracted from their mothers In sub-Saharan Africa, 3 in 4 new HIV infections in teenagers are among girls There are 5,000 new HIV infections per day Women continue to be disproportionally affected by HIV around the world, but particularly in sub-Saharan Africa, where three in four new HIV infections are among young girls. For women seeking care in developing countries, preventing and managing HIV is an expensive proposition. Truvada, the pre-exposure HIV treatment drug commonly known as PrEP, costs about $1,500 a month and must be taken daily for continual HIV protection. Likewise, the antiretroviral therapies that attempt to control HIV infection are costly at nearly $20,000 a year. These oral medications as therapy are a non-starter in developing nations like Africa, where nearly 30 million people are infected with HIV. But Phil Santangelo, biomedical engineering professor at Georgia Tech, has another approach in mind. He’s working on an aerosolized RNA-based HIV preventative that eventually could protect women against the disease. It’s applied vaginally and, currently, the aerosol has been tested in pre-clinical trials. The early results are promising; it’s been shown to create HIV antibodies that ward off the infection. It also has the potential to protect against genital herpes and other pathogens, depending on what protein the RNA encodes for. “A single administration of this aerosol is showing expression of antibodies against HIV for up to three months in pre-clinical trials,” said Santangelo. “Our hope is that this will be more affordable, granting easier access to women in developing countries, especially. With women’s health at the forefront of many conversations today, this has the potential to revolutionize disease prevention.” Eventually, Santangelo says RNA could be used for contraception as well – the RNA would express antibodies that inhibit sperm. Again, if birth control can’t be accessed in developing countries, a self-administered, inexpensive aerosol could change the lives of many women. Are you a journalist covering this very important topic? If you have questions or would like to know more about the research being conducted at the Georgia Tech College of Engineering – then let our experts help. Dr. Philip J. Santangelo is an Assistant Professor in the Wallace H. Coulter Department of Biomedical Engineering. Dr. Santangelo is an expert in the areas of therapeutics and vaccines and HIV/SIV and hRSV. He is available to speak with media regarding this emerging discovery - simply click on his icon to arrange an interview.

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2 min. read
Meet Your Newest Job Recruiter, the Algorithm – let our experts explain featured image

Meet Your Newest Job Recruiter, the Algorithm – let our experts explain

Equal employment opportunities may not be part of a computer’s calculations, but one engineer from is trying to change that. When you apply for a job, chances are your resume has been through numerous automated screening processes powered by hiring algorithms before it lands in a recruiter’s hands. These algorithms look at things like work history, job title progression and education to weed out resumes. There are pros and cons to this – employers are eager to harness the artificial intelligence (AI) and big data captured by the algorithms to speed up the hiring process. But depending on the data used, automated hiring decisions can be very biased. “Algorithms learn based on data sets, but the data is generated by humans who often exhibit implicit bias,” explains Swati Gupta, an industrial engineering researcher at Georgia Tech who’s work focuses on algorithmic fairness. “Our hope is that we can use machine learning with rigorous mathematical analysis to fix the bias in areas like hiring, lending and school admissions.” But as algorithms harness speed and efficiency – how can they be adjusted to include and consider race, gender and other human factors?  It’s an area Dr. Gupta has been researching and refining. If you are a reporter or journalist looking to cover this topic – that’s where our experts can help. Dr. Swati Gupta is an Assistant Professor in the H. Milton Stewart School of Industrial and Systems Engineering at Georgia Tech. Dr. Gupta is an expert in the areas of optimization, machine learning, and bias and fairness within the AI sphere. She is available to speak with media regarding this topic - simply click on her icon to arrange an interview.

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2 min. read
Key Environmental Quality Research Questions Identified for North America by Multidisciplinary Team featured image

Key Environmental Quality Research Questions Identified for North America by Multidisciplinary Team

As density in cities increase along with other global megatrends, researchers are working to address environment and health challenges in collaborative ways. Using a recently pioneered process, a multidisciplinary team of North American researchers, government agencies and businesses leaders identified priority research questions for the United States, Canada and Mexico in an effort to tackle pressing environmental quality issues. In an article published in the journal of Environmental Toxicology and Chemistry, Bryan W. Brooks, Ph.D., Distinguished Professor of Environmental Science and Biomedical Studies and director of the environmental health science program at Baylor University, led the Global Horizon Scanning Project (GHSP), which focuses on identifying environmental and health issues internationally. Brooks also facilitated GHSP workshops in Africa, Australia, Central and Southeastern Asia, Europe and Latin America. “We face palpable global environment and health challenges, which require innovative understanding, tools, products and systems to prevent, diagnose and manage adverse outcomes to public health and the environment,” Brooks said. “The GHSP was initiated as part of a larger effort to identify important international research needs. It is essentially a research roadmap towards achieving more sustainable environmental quality, which is necessary to protect human health, biodiversity and ecosystem services.” As part of the study, members of the Society of Environmental Toxicology and Chemistry’s (SETAC) and the American Chemical Society’s (ACS) Environmental Chemistry and Agrochemcials Divisions submitted questions that were then synthesized during a workshop by scientists and engineers from the academic, government and business sectors. “This project is intentionally inclusive, bottom-up, multidisciplinary, multisector and transparent,” Brooks said. “Answering these priority research questions will not be easy, but strategically doing so promises to accelerate progress to address grand challenges that matter to everyone.” “This report provides a comprehensive global perspective covering some of the world’s most critical environmental challenges that will impact society for decades to come,” said Sherine Obare, Ph.D., dean and professor of the Joint School of Nanoscience and Nanoengineering at UNC Greensboro and chair elect of the American Chemical Society’s Environmental Chemistry Division. “SETAC’s ability to engage scientists from around the globe has led to forums that identify urgent challenges including, next generation 21st century analytical chemistry methods, strategies to predict chemical exposure, understanding multiple stressors and new approaches in chemical risk assessment. This project will define the scientific directions needed to transform environmental science and engineering, globally.” “The GHSP reflected in this paper has harnessed the insights of scientists not only across North America but around the world,” said Charles Menzie, Ph.D., Global Executive Director of SETAC. “Each brings tremendous experience and a strong sense of what is needed for future research. However, the distillation of these many into a set of consensus questions provides a much needed foundation for charting our direction for research to inform environmental policy. SETAC is proud to have supported this through our global meetings and now through our journal.” A related GHSP manuscript identifying priority environmental quality questions for the Australasiaregion of Oceania was also recently published in Integrated Environmental Assessment and Management. GHSP efforts from Africa and Asia are ongoing with plans to report priority research questions from these global regions in the next year. ABOUT BAYLOR UNIVERSITY Baylor University is a private Christian University and a nationally ranked research institution. The University provides a vibrant campus community for more than 17,000 students by blending interdisciplinary research with an international reputation for educational excellence and a faculty commitment to teaching and scholarship. Chartered in 1845 by the Republic of Texas through the efforts of Baptist pioneers, Baylor is the oldest continually operating University in Texas. Located in Waco, Baylor welcomes students from all 50 states and more than 80 countries to study a broad range of degrees among its 12 nationally recognized academic divisions. ABOUT BAYLOR COLLEGE OF ARTS & SCIENCES The College of Arts & Sciences is Baylor University’s oldest and largest academic division, consisting of 25 academic departments and seven academic centers and institutes. The more than 5,000 courses taught in the College span topics from art and theatre to religion, philosophy, sociology and the natural sciences. Faculty conduct research around the world, and research on the undergraduate and graduate level is prevalent throughout all disciplines.

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3 min. read
Hurricane season is here – are we ready for another Category 3 like Sandy? featured image

Hurricane season is here – are we ready for another Category 3 like Sandy?

In 2012, America’s East Coast was rocked by Hurricane Sandy. The Category 3 storm left 30 billion dollars in damage in her wake. “Over two million households in the state lost power in the storm, 346,000 homes were damaged or destroyed,[2] and 37 people were killed. Storm surge and flooding affected a large swath of the state. Governor Chris Christie said the losses caused by Sandy were "going to be almost incalculable...The devastation on the Jersey Shore is probably going to be the worst we've ever seen.” Wikipedia Fast forward to today, every season seems to now bring unpredictable weather. Is the Mid-Atlantic region prepared for the worst? What measures have been taken to mitigate mass flooding? Are buildings now better prepared? Have new building codes been implemented and are they effective? And what areas, places or structures are still vulnerable to the fierce winds and massive amounts of water a Category 2 or 3 storm can bring. There are a lot of questions to be answered and if you are a journalist covering this topic – that’s where our experts can help. Rima Taher is an expert in structural technology, stability of structures, architectural cognizance and engineering standards. To get her insights into hurricane preparedness, simply click on the button below to arrange an interview.

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1 min. read