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Sunday
De-Carbonization Coffee
10:00am - 10:30am USA / Canada - Eastern - August 22, 2021 | Room: Virtual Room
Division: [SCHB] Division of Small Chemical Businesses
Session Type: Networking Events - Virtual
Division/Committee: [SCHB] Division of Small Chemical Businesses

Join Joe Sabol for de-carbonization coffee: An opportunity to have an interesting chat and connect with SCHB members and friends of the Division over coffee.

Sunday
CINF Program Preview
10:00am - 10:30am USA / Canada - Eastern - August 22, 2021 | Room: Virtual Room
Division: [CINF] Division of Chemical Information
Session Type: Networking Events - Virtual
Division/Committee: [CINF] Division of Chemical Information

Organizers: Ye Li and Michelle Nolan Join CINF colleagues to review the CINF program and set up your calendar.

Remote & Virtual Learning for the Analytical Laboratory & Classroom:
10:30am - 12:30pm USA / Canada - Eastern - August 22, 2021 | Room: B308 - B309
Thomas Spudich, Organizer, Maryville University; Mark Vitha, Organizer, Drake Univ; Thomas Spudich, Presider, Maryville University
Division: [ANYL] Division of Analytical Chemistry
Session Type: Oral - Hybrid
Co-sponsor/Theme: Theme: Resilience of Chemistry
Division/Committee: [ANYL] Division of Analytical Chemistry

This symposium will bring to light the variety of resources available for teaching analytical chemistry concepts and skills remotely, including experiments that students can do at home using specific chemicals found in everyday beverages and consumable food items and low-cost instrumentation and detection equipment. Other topics include using simulations to learn about analytical techniques such as HPLC, fluorescence, and chemical applications of microscopy. Presenters who have used these experiments and simulations will discuss their experiences, including what worked well and what educational opportunities remain in terms of teaching analytical chemistry concepts remotely.

Sunday
Development, implementation, and assessment of remote-flexible analytical laboratory experiments & projects: Pros, cons, and role in future instruction
10:30am - 11:00am USA / Canada - Eastern - August 22, 2021 | Room: B308 - B309
Dr. Joel F Destino, Presenter, Creighton University; Erin Gross; David Dobberpuhl
Division: [ANYL] Division of Analytical Chemistry
Session Type: Oral - Hybrid
In the 2020-2021 academic year, instruction at Creighton University was mainly in-person. To accommodate students that were unable to attend analytical chemistry laboratories in-person due to self-isolation, or quarantine restrictions, we developed and implemented several remote-flexible experiments and group projects. For instrumental analysis laboratory in Fall 2020, fluorometric and amperometric analyses were conducted as conventional one-week experiments. We also implemented remote-flexible, multi-week, inquiry-based group projects using portable spectrophotometers, amperometric glucometers, and gas chromatographs. For the quantitative analysis laboratory in Spring 2021, colorimetric/spectrophotometric and potentiometric analysis experiments were conducted as conventional one-week experiments. Multi-week, group mini-projects using portable ion-selective electrodes, spectrophotometers, and paper-based analytical devices were implemented, as well. Overall, student data and assessment results demonstrate that the experiments were achievable, well-received, and yielded good analytical results. In addition to those findings, we will present practical considerations regarding each activity, including costs, limitations, ideas for improving experiment implementation, and thoughts on these experiments' role in the analytical chemistry laboratory curriculum moving forward.
Sunday
Pandemic response: A fully remote instrumental analysis course at Grinnell College
11:00am - 11:30am USA / Canada - Eastern - August 22, 2021 | Room: B308 - B309
Dr. Leslie J. Lyons, Presenter, Grinnell College; Lee Sharpe, Presenter
Division: [ANYL] Division of Analytical Chemistry
Session Type: Oral - Hybrid
We will report on a fully remote Instrumental Analysis course taught at Grinnell College during the 2020-2021 academic year of COVID upheaval. In response to the pandemic, Grinnell shifted to fully remote learning and a 4 term (7.5 weeks each) academic calendar for the year. Lyons and Sharpe revamped their semester long Instrumental Analysis course to the remote, shortened format. Retained between the two formats was the content coverage (based on the 7th edition of the Skoog, Holler and Crouch Principles of Instrumental Analysis text), an inclusion of research literature, and a laboratory program that included most of the usual laboratory activities. Students worked in pairs on the video-based laboratory activities and did the same lab each session instead of rotating through 6 different lab stations based on limited instrumentation in the typical course. Lost in the remote course was any in-person work, hands-on instrument use, solution preparation by students, laboratory notebook work, and student developed laboratory projects. Formal reports and data analysis worksheets based on the labs replaced the prior laboratory notebook work. Enrollment was about one-third of typical with more seniors than juniors which may over-enroll the course the next time it is offered in a regular format in Fall, 2021. Classes and lab sessions were delivered M-F each week over the Webex platform and all course materials were provided to students via Blackboard which was also the electronic submission conduit for all student work. Students earned high scores on their assignments as these were all open-book; lab data analyses were highly coached and based on previously acquired ‘good’ data. Retention was excellent as all the students who were enrolled in the course at the end of the first week completed the course with grades which fulfilled their major elective course requirements.
Sunday
Withdrawn
11:30am - 12:00pm USA / Canada - Eastern - August 22, 2021 | Room: B308 - B309
Division: [ANYL] Division of Analytical Chemistry
Session Type: Oral - Hybrid

Sunday
Incorporating UN Sustainable Development Goals into Analytical Chemistry
12:00pm - 12:30pm USA / Canada - Eastern - August 22, 2021 | Room: B308 - B309
Ginevra Clark, Presenter
Division: [ANYL] Division of Analytical Chemistry
Session Type: Oral - Hybrid
A goal of chemistry education is to prepare students to address the multiple global crises we are facing, while attending to social injustice. Indeed, issues such as global warming and covid-19 disproportionally impact developing nations and POC in the United States. We will describe the incorporation of several environmental justice elements into an analytical chemistry course which includes in-class discussion, coursework that reflects social and cultural issues, and video assignments related to United Nation Sustainable Development Goals (SDGS). The UN SDGS provide a roadmap for sustainable development that can lead to peace and prosperity.

To this end, we partnered with the Latino Cultural Center at UIC to provide an environmental justice dialogue with the students. This dialogue highlighted the “just transition” principles, which we paired with assignments related to environmental justice issues in Chicago and beyond. For example, the students interpreted data from the Chicago city’s website related to the implosion of smokestacks on Easter Sunday 2020. The course took advantage of materials available related to the Flint water crisis, ocean acidification, and other issues to continue the dialogue.

The final project was to create a video based on one of several publications selected by the instructor. The topics included plastics in the ocean, air pollution, etc. The papers further described various analytical methods related to these issues. In their videos, the students had to describe the analytical processes described, in the paper, relate the work to at least two UN SDGs, and propose solutions. The students were introduced to the idea of “systems thinking” to highlight the interconnectedness of the UNN SDGs. They were further reminded of the “just transition” dialogue in their proposed solutions. Students uploaded their videos to the course management system, where other students could view and comment on the videos.

US-Israeli Symposium on C1 Chemistry :
10:30am - 12:00pm USA / Canada - Eastern - August 22, 2021 | Room: B216 - B217
Aditya Bhan, Organizer, Univ of Minnesota; Oz M Gazit, Organizer, Technion; Prof. Dmitri Gelman, Organizer, The Hebrew University of Jerusalem; Daniel Resasco, Organizer, University of Oklahoma; Aditya Bhan, Presider, Univ of Minnesota
Division: [CATL] Division of Catalysis Science & Technology
Session Type: Oral - Hybrid
Division/Committee: [CATL] Division of Catalysis Science & Technology

This symposium explores the topic of C1 conversion in context of the broader chemical enterprise. Presentations will feature research at the state-of-the-art in electrochemical and thermochemical upgrading of C1 species to fuels and chemicals.

Sunday
Effect of surface phase oxides on Ni catalyzed methane dry reforming
10:30am - 11:00am USA / Canada - Eastern - August 22, 2021 | Room: B216 - B217
Anup Tathod; Jin Wang; Oz M Gazit, Presenter, Technion
Division: [CATL] Division of Catalysis Science & Technology
Session Type: Oral - Hybrid
Under reducing conditions, a strongly interacting reducible support can hinder the sintering of a nickel (Ni) nano-particle but, may also lead to severely reduced catalyst activity due to overcoating of the Ni by the support (i.e. SMSI). In contrast, Ni supported on a weakly interacting non-reducible support will have lower thermal stability but, can show higher activity. We find that the level of these metal support interactions (MSI) can be balanced using a mediating layer of surface phase thin oxides (SPO) in the form of MgAl mixed oxide nano-platelets (MO). We show that this approach can be practically implemented to balance between the benefits of the strong MSI of the SPO and the weak MSI of the underlying support (SiO2, ZrO2). Testing this approach for methane dry reforming (MDR) we found that the presence of 0.5-2.5 %wt Ni on the SPO, which is dispersed on an underlying ZrO2 surface, enhances the catalytic activity by ~15 fold, as compared to Ni supported on bulk MO. To better understand and control the nature of these interaction we performed extensive HAADF-STEM-EDS and XPS analyses. Planer model catalysts are analyzed using atomic force microscopy (AFM) to study the effect of the underlying support on the Ni and on the exposed surface of the SPO. Obtained information related to surface adhesion, surface potential and surface friction forces of the MO-NSs are correlated to catalyst performance and the mechanism by which the Ni is promoted by the presence of the SPO.
Sunday
Mechanism and surface species for formic acid decomposition on dispersed copper nanoparticles
11:00am - 11:30am USA / Canada - Eastern - August 22, 2021 | Room: B216 - B217
Division: [CATL] Division of Catalysis Science & Technology
Session Type: Oral - Hybrid
Mechanistic details of HCOOH dehydrogenation routes on Cu nanoparticles are relevant to C1 chemistries that involve formate-type species as intermediates or spectators, such as water-gas shift and methanol synthesis. It has been widely accepted that HCOOH decomposes unimolecularly on transition metal surfaces via bidentate formate (*HCOO*) intermediate, with its C-H activation kinetically limiting the overall rates. Although such route is relevant during temperature-programmed surface reactions (TPSR) of pre-adsorbed *HCOO* species, bimolecular routes may be prevalent at catalytic conditions when HCOOH(g) coexists with *HCOO*. This study seeks to clarify and update our understanding of HCOOH dehydrogenation routes on Cu nanoparticles by combining kinetic, isotopic, and spectroscopic experiments with density functional theory (DFT) calculations.

At practical conditions (0.1-3.5 kPa HCOOH; 473-503 K), Cu surfaces are covered with *HCOO* species, which reach their saturation at 0.25 monolayer (ML) (*HCOO*/Cusurface=0.25) because of strong repulsion among bound *HCOO* species. HCOOH(g) binds molecularly at the interstices (denoted as ' sites; HCOOH') within such saturated *HCOO* adlayers; such interstices become saturated with HCOOH' upon formation of another 0.25 ML adlayer, with HCOOH' species forming strong H-bonds with vicinal *HCOO*. Measured rates reflect the bimolecular decomposition of the HCOOH'-*HCOO* complex, in which either HCOOH' or *HCOO* can lead to the formation of the CO2 product, while the other one re-forms the *HCOO* adlayer. These two bimolecular routes cannot be distinguished from kinetic data, isotopic effects, or infrared spectra or accessible to TPSR studies. DFT-derived barriers are slightly larger for the route that forms CO2 from HCOOH' than for the one forming CO2 from *HCOO* (ΔHact = 83 vs. 68 kJ mol-1).

These bimolecular routes are consistent with all experimental and theoretical data. This work, in turn, provides a compelling example of how repulsive interactions among bound species restricts their coverages to < 1 ML, thus allowing residual interstices in such “passivated” surfaces to bind intermediates less strongly, thus allowing them to react or to increase the reactivity of the bound species in the more refractory template.

Sunday
Multifunctional pincer complexes possessing a secondary coordination sphere as catalysts for CO2 hydrogenation
11:30am - 12:00pm USA / Canada - Eastern - August 22, 2021 | Room: B216 - B217
Prof. Dmitri Gelman, Presenter, The Hebrew University of Jerusalem
Division: [CATL] Division of Catalysis Science & Technology
Session Type: Oral - Hybrid
Burning fossil fuels worldwide has led to an increasing CO2 concentration in the atmosphere to such a large extent that global climate change caused by greenhouse gases has become a major ecological challenge. At present, its amount can be reduced by either capture and storage or by chemical conversion and utilization. There is no doubt that carbon dioxide storage is a cheaper solution and that it is useful for reducing CO2 emissions quickly. Unfortunately, it does not solve the accumulation problem in the long term, whereas converting CO2 into carbon-containing value-added products and feedstock does.
The catalytic conversion of CO2/H2/CO to methanol is already being performed on an industrial scale. Other products, such as formic acid and its derivatives, can be synthesized by carbon dioxide hydrogenation. However, despite this progress, we are still far from the point where carbon dioxide becomes a concrete player in the sustainable chemistry/energy market. Significant steps should be taken toward developing more efficient catalysts for CO2 conversion processes, as well as developing new reaction schemes that allow for more efficient utilization of carbon dioxide in fine and bulk synthesis.
The talk is devoted to designing ligand-metal cooperative catalytic systems for the dehydrogenation of formic acid and hydrogenation of CO2. Our studies revolve around a family of 3-dimensional PC(sp3)P pincer complexes developed by our group. The synthetic approach leading to all these examples is straightforward and represents a modular and divergent approach to a variety of 3-dimensional platforms equipped with custom-tailored primary and secondary coordination spheres. In particular, we address the cooperative activation and functionalization of carbon dioxide by bifunctional catalysts possessing transition metals in the primary coordination sphere and a pendant Lewis acidic functionality in the secondary sphere.

Advances in Renewable Materials:
10:30am - 12:30pm USA / Canada - Eastern - August 22, 2021 | Room: B406b - B407
Glenn Larkin, Organizer, Michigan Technological University; Falk Wolfgang Liebner, Organizer, Boku University Vienna; Amir Sheikhi, Organizer, Penn State University; Glenn Larkin, Presider, Michigan Technological University; Amir Sheikhi, Presider, Penn State University
Division: [CELL] Division of Cellulose and Renewable Materials
Session Type: Oral - Hybrid
Division/Committee: [CELL] Division of Cellulose and Renewable Materials

General Oral Session for the Division of Cellulose and Renewable Materials

Sunday
Introductory Remarks
10:30am - 10:35am USA / Canada - Eastern - August 22, 2021 | Room: B406b - B407
Division: [CELL] Division of Cellulose and Renewable Materials
Session Type: Oral - Hybrid

Sunday
Towards a new understanding of the retro-aldol reaction for oxidative conversion of lignin to aromatic aldehydes and acids
10:35am - 11:00am USA / Canada - Eastern - August 22, 2021 | Room: B406b - B407
Division: [CELL] Division of Cellulose and Renewable Materials
Session Type: Oral - Hybrid
Lignin is the most abundant natural bio-polymer after cellulose and accounts for 30% of non-fossil carbon on earth. The retro-aldol reaction is one of the key steps involved in the oxidative conversion of lignin to aromatic aldehydes and acids. In principle, the retro-aldol reaction can proceed in the absence of oxygen. In this work, a new approach based on the influence of oxygen on the oxidation of lignin was investigated. The effect of reaction chemistry, time, temperature, and lignin feedstock play a key role on the yield of aromatic aldehydes and acids. At 140°C, oxidation of softwood Lignoboost kraft lignin for 40 minutes results in combined maximum yield of 5.17% w/w of vanillin and vanillic acid. In comparison, using the new approach in which oxygen was charged for only 20 minutes during the 40 minute reaction improved this yield considerably to 6.95%. Further, yield improvement was obtained when applying this approach to different lignin feedstocks. Oxidation also increased the carboxyl content of lignin from 0.49 mmol/g to 1.41 mmol/g which represents consequential improvement. The current study provides further evidence showing that the oxidation reaction is a crucial pathway for lignin valorization.
Sunday
Photocatalytic rejuvenation enabled self-sanitizing, reusable, and biodegradable masks against COVID-19
11:00am - 11:25am USA / Canada - Eastern - August 22, 2021 | Room: B406b - B407
Hongli Zhu, Presenter
Division: [CELL] Division of Cellulose and Renewable Materials
Session Type: Oral - Hybrid
Personal protective equipment (PPE) has been highly recommended by the U.S. Centers for Disease Control and Prevention (CDC) for self-protection under the disastrous SARS-CoV-2 (COVID-19) pandemic. Nevertheless, the massive utilization of PPE, especially the N95 respirators and sing-use masks, encounters significant challenges in recycling and sterilizing the used masks. To tackle the environmental pollution of currently used masks made of synthetic plastic, in this work, we designed a reusable, biodegradable, and antibacterial mask. The mask was prepared by electrospinning of polyvinyl alcohol (PVA), poly(ethylene oxide) (PEO), and cellulose nanofiber (CNF), and with subsequent esterification and then deposition of nitrogen-doped TiO2 (N-TiO2) and TiO2 mixture. The fabricated mask containing photocatalytic N-TiO2/ TiO2 can reach 100% bacteria disinfection under either light source (200-2500 nm, 106 Wm-2) as 0.1 sun simulation or natural sunlight for only 10 min. Thus, the used mask can be rejuvenated through light irradiation and reused, which represents one of the handiest technologies for handling used masks. Furthermore, the intermolecular interactions between PVA, PEO and CNF enhanced electrospinnability and the mechanical performance of the resultant mask. The obtained masks possess superior mechanical strength (10-fold elastic modulus and 2-fold tensile strength higher than a commercial single use mask). The comprised electrospun nanofibers with porous structures in between as well as strong electrostatic attraction enabled breathability (83.4 L min-1 of air flow rate) and superior particle filterability (98.7 %). The prepared mask also had excellent cycling performance, wearability, and stable filtration efficiency even after 120 min wearing. Therefore, this novel mask could be a great alternative to current masks to addressing the urgent need for sustainable, reusable, environmentally friendly, and efficient personal protection designs under the ongoing COVID-19 contagion.
Sunday
Withdrawn
11:25am - 11:50am USA / Canada - Eastern - August 22, 2021 | Room: B406b - B407
Division: [CELL] Division of Cellulose and Renewable Materials
Session Type: Oral - Hybrid

Sunday
Free-radical polymerization of bio-based monomers
11:50am - 12:15pm USA / Canada - Eastern - August 22, 2021 | Room: B406b - B407
Maryam Mousa, Presenter; Eva Malmstrom, KTH Royal Institute of Technology; Anna Larsson Kron; Helena Bergenudd
Division: [CELL] Division of Cellulose and Renewable Materials
Session Type: Oral - Hybrid
The demand to produce materials from non-fossil based sources, i.e. bio-based raw materials, is increasing due to environmental concerns and limited resources. Bio-based building blocks result in new materials with sometimes unprecedented properties rendering them an interesting subject to study.
Two of these building blocks are the itaconic acid-derived α-methylene-γ-butyrolactone and the structurally similar α-methylene-γ-valerolactone which can be synthesized from the bio-based levulinic acid. Itaconic acid is a promising platform chemical that is produced by the fermentation of carbohydrates and it was listed by the U.S. Department of Energy as one of the top-value added chemicals from biomass. In this study, we report the free-radical polymerization of these two lactones into homopolymers or together with fossil-based (meth)acrylate monomers, methyl acrylate and methyl methacrylate in different ratios. 2,2′-Azobisisobutyronitrile or lauroyl peroxide were used as initiators to investigate their effect on the polymerization behaviors. Polymerizations were monitored by monomer conversion, and the final polymers were characterized with respect to molecular weight, composition, glass transition temperature and thermal degradation. The incorporation of the monomers in the copolymers was significantly affected by the differences in reactivity ratios, sometimes to such an extent that the polymers exhibited a substantial compositional drift as corroborated by assessed thermal properties.
Increased thermal stability and tailored Tg’s were achieved by copolymerizing the lactones and the (meth)acrylates in different ratios, making the lactones interesting building blocks for synthesis of bio-based or partially bio-based materials.

Sunday
Panel Discussion
12:15pm - 12:30pm USA / Canada - Eastern - August 22, 2021 | Room: B406b - B407
Division: [CELL] Division of Cellulose and Renewable Materials
Session Type: Oral - Hybrid