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Submissions from 2023

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Synthesis, crystal and electronic structure of the Zintl phase Ba16Sb11. A case study uncovering greater structural complexity via monoclinic distortion of the tetragonal Ca16Sb11 structure type., Sviatoslav Baranets, Alexander Ovchinnikov, S. M.Gayomi K. Samarakoon, and Svilen Bobev

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Modulating Water Distribution and the Intramicellar Assembly of Sequence-Defined Ionic Peptoid Block Copolymers by the Ionic Monomer Position, Bailee N. Barrett, Chi Huan Tung, Guan Rong Huang, Istiak Hossain, Chang Woo Do, Vijay T. John, Wei Ren Chen, and Donghui Zhang

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New Boron Delivery Agents, Annette G. Beck-Sickinger, Daniel P. Becker, Oksana Chepurna, Bhaskar Das, Sebastian Flieger, Evamarie Hey-Hawkins, Narayan Hosmane, Satish S. Jalisatgi, Hiroyuki Nakamura, Rameshwar Patil, et al.

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Synergistic In Vitro Antiviral Effect of Combinations of Ivermectin, Essential Oils, and 18-(Phthalimid-2-yl)ferruginol against Arboviruses and Herpesvirus, Liliana Betancur-Galvis, Orlando José Jimenez-Jarava, Fatima Rivas, William E. Mendoza-Hernández, and Miguel A. González-Cardenete

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Understanding the Impacts of Molecular and Macromolecular Crowding Agents on Protein-Polymer Complex Coacervates, Shanta Biswas, Alison L. Hecht, Sadie A. Noble, Qingqiu Huang, Richard E. Gillilan, and Amy Y. Xu

Paul A. Castelfranco (1921–2021): a scientist par excellence, a man of lasting faith, and ever a humanist, R. W. Breidenbach, Ann M. Castelfranco, John Castelfranco, Govindjee Govindjee, Kevin M. Smith, and Alan Stemler

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Direct evidence on the crossover from BCC to FCC stability: A lattice-based aggregation-volume-bias Monte Carlo approach to polymorphism, Bin Chen

Ionic conduction mechanism in high concentration lithium ion electrolytes, Xiaobing Chen and Daniel G. Kuroda

Electron paramagnetic resonance spectroscopy: Part II the view forward, Robert L. Cook, Emmanuel Ampiah, Phillip T. Sprunger, and Randall W. Hall

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Leveraging Cultural Wealth, Identities and Motivation: How Diverse Intersectional Groups of Low-Income Undergraduate STEM Students Persist in Collegiate STEM Environments, Raeshan D. Davis and Zakiya Wilson-Kennedy

Light-activation of molecular motors in polymersomes, Soumya Kanti Dawn, Stefanie Klisch, Gerald J. Schneider, and Víctor García-López

Infrared laser ablation dynamics using light scattering, Achala Deenamulla and Kermit K. Murray

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5- and 10-oxocorroles from β-octaalkylcorroles, Lorena Di Zazzo, Sara Nardis, Fabrizio Caroleo, Francesco Pizzoli, Frank R. Fronczek, Kevin M. Smith, Beatrice Berionni Berna, and Roberto Paolesse

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Benzyne-Promoted, 1,2-cis-Selective O-Glycosylation with Benzylchalcogenoglycoside Donors, Tiffany Duong, Erik Alvarez Valenzuela, and Justin R. Ragains

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Attochemistry Regulation of Charge Migration, Aderonke S. Folorunso, François Mauger, Kyle A. Hamer, Denawakage D. Jayasinghe, Imam S. Wahyutama, Justin R. Ragains, Robert R. Jones, Louis F. Dimauro, Mette B. Gaarde, Kenneth J. Schafer, et al.

The Role of Anionic Ligands on Photoreactivity in Mo(VI) Dioxo Complexes of the Form MoO2X2(NN)**, Saeed Fosshat, Frank R. Fronczek, and Matthew B. Chambers

Cure on Demand Ultra-High-Solid Nonskid Coatings, Daniel P. Gary, Douglas Ngq Amber Bui, Jorge A. Belgodere, and John A. Pojman

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Optimization of Host Cell-Compatible, Antimicrobial Peptides Effective against Biofilms and Clinical Isolates of Drug-Resistant Bacteria, Jenisha Ghimire, Robert J. Hart, Anabel Soldano, Charles H. Chen, Shantanu Guha, Joseph P. Hoffmann, Kalen M. Hall, Leisheng Sun, Benjamin J. Nelson, Timothy K. Lu, et al.

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Discovery of Novel Bioactive Tanshinones and Carnosol Analogues against Breast Cancer, Miguel A. González-Cardenete, Natalia González-Zapata, Lucinda Boyd, and Fatima Rivas

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Thermally initiated cationic frontal polymerization of epoxies and vinyl ethers through a lone onium salt, Brecklyn R. Groce, Madison M. Ferguson, and John A. Pojman

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Kinetic and Chemical Effects of Clays and Other Fillers in the Preparation of Epoxy-Vinyl Ether Composites Using Radical-Induced Cationic Frontal Polymerization, Brecklyn R. Groce, Emma E. Lane, Daniel P. Gary, Douglas T. Ngo, Dylan T. Ngo, Fahima Shaon, Jorge A. Belgodere, and John A. Pojman

A new method based on pseudo-Zernike polynomials to analyze and extract dynamical and spectral information from the 2DIR spectra, Anit Gurung and Daniel G. Kuroda

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Benzylfentanyl as a Surrogate Template for Fentanyl-Selective Imprinted Polymers, Md Ragib Hasan and David A. Spivak

Anion receptors with nitrone C-H hydrogen bond donors, Xuxian He, Richard R. Thompson, Sarah A. Clawson, Frank R. Fronczek, and Semin Lee

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Neutron interferometry using a single modulated phase grating, I. Hidrovo, J. Dey, H. Meyer, D. S. Hussey, N. N. Klimov, L. G. Butler, K. Ham, and W. Newhauser

Solution Characterization of PEGL, a Water-Soluble, Non-Ionic, Helical Polypeptide, Wayne Huberty, Rafael Cueto, Donghui Zhang, and Paul S. Russo

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Integrated Ion-Exchange Membrane Resin Wafer Assemblies for Aromatic Organic Acid Separations Using Electrodeionization, Matthew L. Jordan, Grzegorz Kokoszka, Hishara Keshani Gallage Dona, Dodangodage Ishara Senadheera, Revati Kumar, Yupo J. Lin, and Christopher G. Arges

Critical Role of Semiquinones in Reductive Dehalogenation, Srinidhi Lokesh, Myron L. Lard, Robert L. Cook, and Yu Yang

CYBER-PHYSICAL TRUST ANCHORS IN ADDITIVE MANUFACTURING: SECURE, LOW-COST, AND EDUCATIONAL, Michele Maasberg, Brendan Birch, Daniel Janes, Kirsten Stor, Kyungmin Ham, and Leslie G. Butler

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Key parameters linking cyber-physical trust anchors with embedded internet of things systems, Michele Maasberg, Leslie G. Butler, and Ian Taylor

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Investigation of Iron(III) Tetraphenylporphyrin as a Redox Flow Battery Anolyte: Unexpected Side Reactivity with the Electrolyte, Nathan H. Mitchell and Noémie Elgrishi

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8(meso)-Pyridyl-BODIPYs: Effects of 2,6-Substitution with Electron-Withdrawing Nitro, Chloro, and Methoxycarbonyl Groups, Caroline Ndung’U, Petia Bobadova-Parvanova, Daniel J. LaMaster, Dylan Goliber, Frank R. Fronczek, and Maria da Graça H. Vicente

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Multi-Functional Boron-Delivery Agents for Boron Neutron Capture Therapy of Cancers, Sebastian O. Oloo, Kevin M. Smith, and Maria da Graça H. Vicente

Palladium Complexes of N-Methylcorroles, Francesco Pizzoli, Alessandro Mita, Fabrizio Caroleo, Sara Nardis, Umberto Calice, Marilena Caporale, Sandra Belviso, Stefano Superchi, Alessia Marconi, Matteo Calvaresi, et al.

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Pseudomonas aeruginosa Dps (PA0962) Functions in H2O2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity, Nimesha Rajapaksha, Anabel Soldano, Huili Yao, Fabrizio Donnarumma, Maithri M. Kashipathy, Steve Seibold, Kevin P. Battaile, Scott Lovell, and Mario Rivera

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Ion transport on self-assembled block copolymer electrolytes with different side chain chemistries, Mario V. Ramos-Garcés, Dodangodage Ishara Senadheera, Karthik Arunagiri, Polyxeni P. Angelopoulou, Georgios Sakellariou, Ke Li, Bryan D. Vogt, Revati Kumar, and Christopher G. Arges

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Autonomous Single-Molecule Manipulation Based on Reinforcement Learning, Bernhard Ramsauer, Grant J. Simpson, Johannes J. Cartus, Andreas Jeindl, Victor García-López, James M. Tour, Leonhard Grill, and Oliver T. Hofmann

Mobilization of iron stored in bacterioferritin, a new target for perturbing iron homeostasis and developing antibacterial and antibiofilm molecules, Mario Rivera

Relation between microscopic structure and macroscopic properties in polyacrylonitrile-based lithium-ion polymer gel electrolytes, Jeramie C. Rushing, Anit Gurung, and Daniel G. Kuroda

Infrared Spectroscopy of Liquid Solutions as a Benchmarking Tool of Semiempirical QM Methods: The Case of GFN2-xTB, Laura X. Sepulveda-Montaño, Johan Fabian Galindo, and Daniel G. Kuroda

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Adsorption Studies at the Graphene Oxide-Liquid Interface: A Molecular Dynamics Study, Visal Subasinghege Don, Lukas Kim, Rolf David, Julia A. Nauman, and Revati Kumar

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Frontal Polymerizations: From Chemical Perspectives to Macroscopic Properties and Applications, Benjamin A. Suslick, Julie Hemmer, Brecklyn R. Groce, Katherine J. Stawiasz, Philippe H. Geubelle, Giulio Malucelli, Alberto Mariani, Jeffrey S. Moore, John A. Pojman, and Nancy R. Sottos

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Amino Acid Derivatives of Chlorin-e6—A Review, Maria da Graça H. Vicente and Kevin M. Smith

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End block dynamics in unentangled polymers by dielectric spectroscopy, Mengchun Wu, Karin J. Bichler, Bruno Jakobi, Alyssa Grzesiowski, and Gerald J. Schneider

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Uniqueness of relaxation times determined by dielectric spectroscopy, Mengchun Wu, Karin J. Bichler, Bruno Jakobi, and Gerald J. Schneider

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Role of Domain-Domain Interactions on the Self-Association and Physical Stability of Monoclonal Antibodies: Effect of pH and Salt, Amy Y. Xu, Marco A. Blanco, Maria Monica Castellanos, Curtis W. Meuse, Kevin Mattison, Ioannis Karageorgos, Harold W. Hatch, Vincent K. Shen, and Joseph E. Curtis

Environmentally persistent free radicals enhance SARS-CoV-2 replication in respiratory epithelium, Ayaho Yamamoto, Peter D. Sly, Keng Yih Chew, Lavrent Khachatryan, Nelufa Begum, Abrey J. Yeo, Luan D. Vu, Kirsty R. Short, Stephania A. Cormier, and Emmanuelle Fantino

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Uncovering the Optimal Molecular Characteristics of Hydrophobe-Containing Polypeptoids to Induce Liposome or Cell Membrane Fragmentation, Tianyi Yu, Marzhana Omarova, Meng Zhang, Istiak Hossain, Jianqiang Chen, Omead Darvish, Vijay T. John, and Donghui Zhang

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pH-Dependent Solution Micellar Structure of Amphoteric Polypeptoid Block Copolymers with Positionally Controlled Ionizable Sites, Meng Zhang, Yun Liu, Xiaobing Zuo, Shuo Qian, Sai Venkatesh Pingali, Richard E. Gillilan, Qingqiu Huang, and Donghui Zhang

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Computational Investigations of the Water Structure at the α-Al2O3(0001)-Water Interface, Xiaoliu Zhang, Christopher G. Arges, and Revati Kumar

Submissions from 2022

A Thermoset Shape Memory Polymer-Based Syntactic Foam with Flame Retardancy and 3D Printability, Rubaiyet Abedin, Xiaming Feng, John Pojman, Samuel Ibekwe, Patrick Mensah, Isiah Warner, and Guoqiang Li

Women are underrepresented in cardiac resynchronization therapy trials, Javaria Ahmad, Hassaan A. Ahmad, Phani Surapaneni, Ashritha Penagaluri, Sapna Desai, and Paari Dominic

Anti-cancer Drugs Associated Atrial Fibrillation-An Analysis of Real-World Pharmacovigilance Data, Javaria Ahmad, Aswani Thurlapati, Sahith Thotamgari, Udhayvir Singh Grewal, Aakash Rajendra Sheth, Dipti Gupta, Kavitha Beedupalli, and Paari Dominic

Heterolytic Dissociation of H2 in Heterogeneous Catalysis, Divakar R. Aireddy and Kunlun Ding

Elucidating the Roles of Amorphous Alumina Overcoat in Palladium-Catalyzed Selective Hydrogenation, Divakar R. Aireddy, Haoran Yu, David A. Cullen, and Kunlun Ding

Effects of Weathering on Microplastic Dispersibility and Pollutant Uptake Capacity, Ahmed Al Harraq, Philip J. Brahana, Olivia Arcemont, Donghui Zhang, Kalliat T. Valsaraj, and Bhuvnesh Bharti

Fluorescent Ionic Probe for Determination of Mechanical Properties of Healed Poly(ethylene--methacrylic acid) Ionomer Films, Caitlan E. Ayala, Rocío L. Pérez, John K. Mathaga, Aanesa Watson, Tristan Evans, and Isiah M. Warner

Protein Discrimination Using Erythrosin B-Based Gumbos In Combination With Uv-Vis Spectroscopy And Chemometrics, A M. Azevedo, C Sousa, M Chen, C E. Ayala, A M. Azevedo, J L. Santos, I M. Warner, and M L. Saraiva

Early onset cardiovascular disease related to methamphetamine use is most striking in individuals under 30: A retrospective chart review, Vinita Batra, Kevin S. Murnane, Brianne Knox, Amber N. Edinoff, Yahya Ghaffar, Laura Nussdorf, Murray Petersen, Sarah E. Kaufman, Sania Jiwani, Christopher A. Casey, et al.

Revealing the Mechanism of Dioxin Formation from Municipal Solid Waste Gasification in a Reducing Atmosphere, Jianye Bei, Xu Xu, Mingxiu Zhan, Xiaodong Li, Wentao Jiao, Lavrent Khachatryan, and Angjian Wu

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Dynamics of Bottlebrush Polymers in Solution by Neutron Spin Echo Spectroscopy, Karin J. Bichler, Bruno Jakobi, Dirk Honecker, Laura R. Stingaciu, Thomas K. Weldeghiorghis, James H.P. Collins, and Gerald J. Schneider

Side Chain Dynamics of poly(norbornene)-g-Poly(propylene oxide) Bottlebrush Polymers, Karin J. Bichler, Bruno Jakobi, Alice Klapproth, Taiki Tominaga, Richard A. Mole, and Gerald J. Schneider

The Assembly Mechanism and Mesoscale Architecture of Protein-Polysaccharide Complexes Formed at the Solid-liquid Interface, Shanta Biswas, Laurence D. Melton, Andrew R. Nelson, Anton P. Le Brun, Frank Heinrich, Duncan J. McGillivray, and Amy Y. Xu

Effect of ultrasound on the physical properties and processing of major biopolymers-a review, Shanta Biswas and Taslim Ur Rashid

Allosteric Activation of 15-Lipoxygenase-1 by Boswellic Acid Induces the Lipid Mediator Class Switch to Promote Resolution of Inflammation, Friedemann Börner, Simona Pace, Paul M. Jordan, Jana Gerstmeier, Mario Gomez, Antonietta Rossi, Nathaniel C. Gilbert, Marcia E. Newcomer, and Oliver Werz

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Intact, Commercial Lithium-Polymer Batteries: Spatially Resolved Grating-Based Interferometry Imaging, Bragg Edge Imaging, And Neutron Diffraction, A J. Brooks, D S. Hussey, K Ham, D L. Jacobson, A J. Brooks, N Kardjilov, and L G. Butler

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On the synthesis and characterization of two different titanium-based supramolecular structures of identical stoichiometry, Ryan J. Bujol, Frank R. Fronczek, and Noémie Elgrishi

NASC: bringing together supramolecular chemists from across North America, Nathalie Busschaert, Víctor García-López, Chenfeng Ke, C. Michael McGuirk, Linda S. Shimizu, Margaret C. Gerthoffer, and Nabarupa Bhattacharjee

Extension of the Aggregation-Volume-Bias Monte Carlo Method to the Calculation of Phase Properties of Solid Systems: A Lattice-Based Cluster Approach, Bin Chen

Mechanism of biotin carboxylase inhibition by ethyl 4-[[2-chloro-5-(phenylcarbamoyl)phenyl]sulphonylamino]benzoate, Matthew K. Craft and Grover L. Waldrop

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Role Of International Research Experiences In The Development Of Women Of Color In Chemistry, R D. Davis, L Winfield, D Spivak, Z S. Wilson-Kennedy, and R D. Davis

Enhanced Surface Contributions to Second Harmonic Generation in non-Centrosymmetric Crystals, Moigan Dehghani, Louis H. Haber, and Jiandi Zhang

Influence of Acetaminophen on Molecular Adsorption and Transport Properties at Colloidal Liposome Surfaces Studied by Second Harmonic Generation Spectroscopy, Asela S. Dikkumbura, Alexandra V. Aucoin, Rasidah O. Ali, Aliyah Dalier, Dylan W. Gilbert, Gerald J. Schneider, and Louis H. Haber

Stimulant Drugs of Abuse and Cardiac Arrhythmias, Paari Dominic, Javaria Ahmad, Hajra Awwab, Md Shenuarin Bhuiyan, Christopher G. Kevil, Nicholas E. Goeders, Kevin S. Murnane, James C. Patterson, Kristin E. Sandau, Rakesh Gopinathannair, et al.

Infrared Laser Ablation Microsampling for Small Volume Proteomics, Chao Dong, Fabrizio Donnarumma, and Kermit K. Murray

Infrared Laser Ablation Microsampling with a Reflective Objective, Chao Dong, Luke T. Richardson, Touradj Solouki, and Kermit K. Murray

Light-Initiated C-H Activation via Net Hydrogen Atom Transfer to a Molybdenum(VI) Dioxo, Saeed Fosshat, Siddhiaratchige D. Siddhiaratchi, Courtney L. Baumberger, Victor R. Ortiz, Frank R. Fronczek, and Matthew B. Chambers

[1,4]Ditellurino[2,3-:5,6-']di-pyrazine, Donna Franklin, Aundrea Lee, Frank R. Fronczek, and Thomas Junk

Helical remodeling augments 5-lipoxygenase activity in the synthesis of proinflammatory mediators, Eden M. Gallegos, Tanner D. Reed, Forge A. Mathes, Nelson V. Guevara, David B. Neau, Wei Huang, Marcia E. Newcomer, and Nathaniel C. Gilbert

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Anisotropic frontal polymerization in a model resin-copper composite, Yuan Gao, Sarah Li, Jin-Young Kim, Imogen Hoffman, Sagar K. Vyas, John A. Pojman, and Philippe H. Geubelle

Charge transfer complexes as dual thermal/photo initiators for free-radical frontal polymerization, Daniel P. Gary, Douglas Ngo, Amber Bui, and John A. Pojman

Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light reveals the functions of chlorophylls d and f, Christopher J. Gisriel, Gaozhong Shen, Ming-Yang Ho, Vasily Kurashov, David A. Flesher, Jimin Wang, William H. Armstrong, John H. Golbeck, Marilyn R. Gunner, David J. Vinyard, et al.

Analytical Perspectives in the Study of Polyvalent Interactions of Free and Surface-Bound Oligonucleotides and Their Implications in Affinity Biosensing, Laura-Elena Gliga, Bogdan-Cezar Iacob, Sanda-Nastasia Moldovean, David A. Spivak, Andreea Elena Bodoki, Ede Bodoki, and Radu Oprean

H, N, C backbone and sidechain resonance assignments and secondary structure of mouse NOTCH1 EGF27, Justin A. Grennell, Kendra D. Jenkins, Kelvin B. Luther, John Glushka, Robert S. Haltiwanger, and Megan A. Macnaughtan

Impact of radiation on inpatient outcomes in patients with breast cancer and atrial fibrillation: A nationwide analysis, Udhayvir Singh Grewal, Harsh P. Patel, Aakash R. Sheth, Kavitha Beedupalli, and Paari Dominic

Genomic and transcriptomic analysis unveils population evolution and development of pesticide resistance in fall armyworm Spodoptera frugiperda, Furong Gui, Tianming Lan, Yue Zhao, Wei Guo, Yang Dong, Dongming Fang, Huan Liu, Haimeng Li, Hongli Wang, Ruoshi Hao, et al.

Structures of Leukotriene Biosynthetic Enzymes and Development of New Therapeutics, Jesper Z. Haeggström and Marcia E. Newcomer

Observation of fringe patterns from a modulated phase grating x-ray interferometry system, Ivan Hidrovo, Sydney Carr, Kyungmin Ham, Les Butler, Amitava Roy, and Joyoni Dey

-(4-Hy-droxy-2-nitro-phen-yl)acetamide, James E. Hines Iii, Curtistine J. Deere, Frank R. Fronczek, and Rao M. Uppu

-(4-Meth-oxy-2-nitro-phen-yl)acetamide, James E. Hines Iii, Curtistine J. Deere, Poornasai Vaddi, Ranjeeth R. Kondati, Frank R. Fronczek, and Rao M. Uppu

The effect of outer-sphere anions on the spectroscopic response of metal-binding chemosensors, Michael H. Ihde, Gabrielle Covey, Ashley D. Johnson, Frank R. Fronczek, Karl J. Wallace, and Marco Bonizzoni

Design, synthesis, structural optimization, SAR, in silico prediction of physicochemical properties and pharmacological evaluation of novel & potent thiazolo[4,5-d]pyrimidine corticotropin releasing factor (CRF) receptor antagonists, Md Rabiul Islam, Mohamed Teleb, Vlasios Karageorgos, Stelios Sakellaris, Minas Papadopoulos, Ioannis Pirmettis, Frank R. Fronczek, George Liapakis, and Hesham Fahmy

Synthesis and structural characterization of the new Zintl phases EuMnBi and YbZnSb, Ryan Janzen, Sviatoslav Baranets, and Svilen Bobev

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Photocatalytic molecular containers enable unique reactivity modes in confinement, Senuri G. Jayawardana, Ella C. Madura, and Víctor García-López

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Imidazolium-Type Anion Exchange Membranes for Improved Organic Acid Transport and Permselectivity in Electrodialysis, Matthew L. Jordan, Tanmay Kulkarni, Dodangodage Ishara Senadheera, Revati Kumar, Yupo J. Lin, and Christopher G. Arges

Neurogranin regulates calcium-dependent cardiac hypertrophy, Ashton N. Jorgensen, Chowdhury S. Abdullah, Md Shenuarin Bhuiyan, Megan Watt, Paari Dominic, Gopi K. Kolluru, Christopher G. Kevil, and Hyung W. Nam

Performance of African-ancestry-specific polygenic hazard score varies according to local ancestry in 8q24, Roshan A. Karunamuni, Minh-Phuong Huynh-Le, Chun C. Fan, Wesley Thompson, Asona Lui, Maria Elena Martinez, Brent S. Rose, Brandon Mahal, Rosalind A. Eeles, Zsofia Kote-Jarai, et al.

Metal-Free Biomass-Derived Environmentally Persistent Free Radicals (Bio-EPFRs) from Lignin Pyrolysis, Lavrent Khachatryan, Mohamad Barekati-Goudarzi, Rubik Asatryan, Andrew Ozarowski, Dorin Boldor, Slawomir M. Lomnicki, and Stephania A. Cormier

Generation of 3D Spheroids Using a Thiol-Acrylate Hydrogel Scaffold to Study Endocrine Response in ER Breast Cancer, Anowar H. Khan, Sophia P. Zhou, Margaret Moe, Braulio A. Ortega Quesada, Khashayar R. Bajgiran, Haley R. Lassiter, James A. Dorman, Elizabeth C. Martin, John A. Pojman, and Adam T. Melvin

Sulfide regulation of cardiovascular function in health and disease, Gopi K. Kolluru, Rodney E. Shackelford, Xinggui Shen, Paari Dominic, and Christopher G. Kevil