Submissions from 2025
Thiol-Acrylate Gel Systems For Frontal Polymerization, Dominic Adrewie, Monica Rocha, Mason Fuller, and John A. Pojman
US must support chemistry research, Karen Allen, Peter B. Armentrout, Clifford Berkman, Steven G. Boxer, Michael Burkart, James W. Canary, Ronald K. Castellano, Linda Columbus, Victoria J. DeRose, Howard Fairbrother, et al.
Bubble-Free Frontal Polymerization of Acrylates Using 1,1,2,2-Tetraphenyl-1,2-Ethanediol as a Free-Radical Initiator, Md Abdullah Al Mahmud, Alexandra V. Aucoin, and John A. Pojman
Cascade Grignard Addition: Propargyl Claisen Rearrangement for the Stereoselective Synthesis of α-Allene Quaternary Centers in Cyclohexanones, Estefania Armendariz-Gonzalez, Adi Saputra, Edward W. Mureka, Cale M. Locicero, Gabrielle L. Womble, Gloria Tan, Abigail A. Watson, Frank R. Fronczek, and Rendy Kartika
Modulating the Aqueous Micellar Reorganization of Sequence-Defined Ionic Peptoid Block Copolymers by Ionizable Monomer Position and Solution pH, Bailee N. Barrett, Pedram AziziHariri, Vijay T. John, and Donghui Zhang
Inhibitors of the Bacterioferritin Ferredoxin Complex Dysregulate Iron Homeostasis and Kill Acinetobacter baumannii and Biofilm-Embedded Pseudomonas aeruginosa Cells, Alexanndra M. Behm, Huili Yao, Emmanuel C. Eze, Suliat A. Alli, Simon D.P. Baugh, Ebenezer Ametsetor, Kendall M. Powell, Kevin P. Battaile, Steve Seibold, Scott Lovell, et al.
Polymer dynamics at low molecular weight of poly(butylene oxide) star polymers, Karin J. Bichler, Bruno Jakobi, and Gerald J. Schneider
Ergosterol Peroxide Disrupts Triple-Negative Breast Cancer Mitochondrial Function and Inhibits Tumor Growth and Metastasis, Aliyah L. Bocachica-Adorno, Adriana Y. Aponte-Ramos, Paola S. Rivera-Fuentes, Natalia P. Espinosa-Ponce, Luz V. Arroyo-Cruz, Taotao Ling, Naydi Pérez-Ríos, Sona Rivas-Tumanyan, Israel A. Almodóvar-Rivera, Carlos Barreto-Gamarra, et al.
NASC 2024: continuing progress in North American Supramolecular Chemistry, Nathalie Busschaert, Clifton J. Stephenson, Valérie C. Pierre, Darren W. Johnson, Noémie Elgrishi, Karl J. Wallace, Xuesong Li, Parbhat Kumar, and Cole D. Stearns
In Vitro Effect of Ferruginol, Tanshinone, and Carnosol Analogues on the Proliferation of Three Breast Cancer Cell Lines, Miguel A. González-Cardenete, William E. Mendoza-Hernández, Sydney L. Lawson, and Fatima Rivas
Quantum Mechanical Behavior of Hydrogen Bonds Enables Supramolecular Structure in a Weak Acid-Base Monoprotic Complex, Anit Gurung, Rui Zhang, Lu Wang, and Daniel G. Kuroda
Effects of Nitro-Substitution on the Spectroscopic and Self-Assembly Properties of BODIPY Dyes, Caroline Gwaro, Caroline Ndung’U, Petia Bobadova-Parvanova, Dylan Goliber, Quynh Do, Ashley R. Walker, Evan Murders, Daniel LaMaster, Frank R. Fronczek, Jayne Garno, et al.
Monitoring Molecular Interactions with Cell Membranes Using Time-Dependent Second Harmonic Generation Microscopy, Prakash Hamal, Sushant P. Sahu, Peter P. Piers, Huy Nguyen, Shashank S. Kamble, Robin L. McCarley, Manas R. Gartia, and Louis H. Haber
Quantitative comparison of high-order harmonic yields in ring-shaped organic molecules calculated using time-dependent density-functional theory, Kyle A. Hamer, Stephanie N. Armond, Ravi Bhardwaj, Francois Mauger, Kenneth Lopata, Kenneth J. Schafer, and Mette B. Gaarde
Complex Structural Disorder in Thermoelectric Zintl Phases Eu21M4As18 (M = Mn, Zn), Mohd Ishtiyak, Spencer R. Watts, Olha Pokhvata, Thimira Kandabadage, and Sviatoslav Baranets
Simulations of Attosecond Metallization in Quartz and Diamond Probed with Inner-Shell Transient Absorption Spectroscopy, Lucas Kurkowski, Adonay Sissay, Mengqi Yang, Alexander Meyer, and Kenneth Lopata
Recent synthetic methodology advancements towards all-carbon quaternary center formation and applications, Taotao Ling, Jose M. Garfias, Sydney L. Lawson, and Fatima Rivas
A Novel Approach to Cure-on-Demand Coatings Using Ammonia to Catalyze Thiol-Acrylate and Thiol-Epoxy Reactions, Md Abdullah Al Mahmud and John A. Pojman
Frontal Polymerization of Phytic Acid Containing Hexaacrylate, Triacrylate, and Fillers, Maria Martinez, Karan Bansal, John A. Pojman, and Mohiuddin Quadir
Attosecond charge migration in organic molecules: Initiating and probing localized electron holes, François Mauger, Sucharita Giri, Aderonke S. Folorunso, Kyle A. Hamer, Denawakage D. Jayasinghe, Kenneth Lopata, Kenneth J. Schafer, and Mette B. Gaarde
Post-Wildfire Mobilization of Organic Carbon, Travis Numan, Srinidhi Lokesh, Abrar Shahriar, Anil Timilsina, Myron L. Lard, Justin Clark, Yasaman Raeofy, Qian Zhao, Simon R. Poulson, Paul S. Verburg, et al.
The Zintl pnictides Yb10CdSb9 and Yb14CdSb11: New candidate thermoelectric materials, Michael O. Ogunbunmi, Kowsik Ghosh, Connor Donnelly, Sviatoslav Baranets, and Svilen Bobev
In Situ Second Harmonic Generation and Extinction Spectroscopy for Studying Colloidal Gold-Silver-Gold Core-Shell-Shell Nanoparticle Growth Dynamics, Stena C. Peterson, Daniel A. Babayode, Christopher P. Reso, and Louis H. Haber
Synthesis of bis-quaternary centers at the α-positions of cyclohexanones via Copper(I)-Catalyzed Claisen rearrangement: The substituent effect from the opposing α-quaternary center on diastereoselectivity, Satish Chandra Philkhana, Joshua A. Malone, Estefania Armendariz-Gonzalez, Adi Saputra, Jacob R. Stepherson, Frank R. Fronczek, and Rendy Kartika
Revealing the Water Structure at Neutral and Charged Graphene/Water Interfaces through Quantum Simulations of Sum Frequency Generation Spectra, Richa Rashmi, Toheeb O. Balogun, Golam Azom, Henry Agnew, Revati Kumar, and Francesco Paesani
Elucidating the porous structure of aluminum adjuvants via in-situ small-angle scattering technique, Khaleda C. Rinee, Zoe E. Patton, Richard E. Gillilan, Qingqiu Huang, Sai Venkatesh Pingali, Luke Heroux, and Amy Y. Xu
[Palladium-decabismuth(4+)]-tetrakis(tetrachloridoaluminate) Cluster Compound, [Pd@Bi10][AlCl4]4: Synthesis, Crystal Structure, and Electronic Structure, S. M.Gayomi K. Samarakoon and Sviatoslav Baranets
Long timescale solvation dynamics and confinement: The case of non-ionic deep eutectic solvents of lauric acid and N-methylacetamide, Laura X. Sepulveda-Montaño, Johan F. Galindo, and Daniel G. Kuroda
Unraveling the Heterogeneous but Ordered Microstructure of the Nonionic Deep Eutectic Solvent Formed by Lauric Acid and N-Methylacetamide, Laura X. Sepulveda-Montaño, Johan F. Galindo, and Daniel G. Kuroda
Synthesis, Structures, and Properties of Dehydrobiphenyleno[12]Annulenes: Carbon-Rich Compounds Comprising Two Different Antiaromatic Units, Komari Suzuki, Daisuke Asai, Robert J. Herman, Sheila W. Njoroge, Satoshi Yoshida, Sota Sato, Semin Lee, and Kazukuni Tahara
Frontal polymerization in thin layers: Hydrodynamic effects and asymptotic dynamics, R. Tiani, John A. Pojman, and L. Rongy
A Visible-Light-Driven O-Glycosylation with Selenoglycosides Mediated by Chalcogen Bonding to Umemoto's Reagent, Erik Alvarez Valenzuela, Tiffany Duong, Vinayak Pradeep, Xuxian He, Jacob M. Dobson, Semin Lee, Kenneth Lopata, and Justin R. Ragains
Spectroscopic Data for Lithium Beta Diketiminate Complexes, Clifton Wagner and Fahmida Islam
All-electron molecular tunnel ionization based on the weak-field asymptotic theory in the integral representation, Imam S. Wahyutama, Denawakage D. Jayasinghe, François Mauger, Kenneth Lopata, and Kenneth J. Schafer
pKa Matching Enables Quantum Proton Delocalization in Acid-1-Methylimidazole Binary Mixtures, Rui Zhang, Dylan Ye, Anit Gurung, Ralf Warmuth, Daniel G. Kuroda, and Lu Wang
Submissions from 2024
On the relevance of glycosyl oxonium ions to 1,2-cis-selective O-glycosylation in ether solvents, Varad Agarkar, Ava E. Hart, and Justin R. Ragains
Role of Electronegativity in Environmentally Persistent Free Radicals (EPFRs) Formation on ZnO, Syed Monjur Ahmed, Reuben A. Oumnov, Orhan Kizilkaya, Randall W. Hall, Phillip T. Sprunger, and Robert L. Cook
Thiourea-based rotaxanes: anion transport across synthetic lipid bilayers and antibacterial activity against Staphylococcus aureus, Nasim Akhtar, Udyogi N.K. Conthagamage, Sara P. Bucher, Zuliah A. Abdulsalam, Macallister L. Davis, William N. Beavers, and Victor Garcia-Lopez
Selective Antineoplastic Potential of Fractionated Caribbean Native Ganoderma Species Extracts on Triple-Negative Breast Cancer Cells, Luz V. Arroyo-Cruz, Sebastián Sagardía-González, Kurt Miller, Taotao Ling, Fatima Rivas, and Michelle M. Martínez-Montemayor
From Graphene Oxide to Graphene: Changes in Interfacial Water Structure and Reactivity Using Deep Neural Network Force Fields, Golam Azom, Anne Milet, Rolf David, and Revati Kumar
Size-dependent growth dynamics of silver-gold core-shell nanoparticles monitored by in situ second harmonic generation and extinction spectroscopy, Daniel A. Babayode, Stena C. Peterson, and Louis H. Haber
Recent Advances in Chemistry and Antioxidant/Anticancer Biology of Monoterpene and Meroterpenoid Natural Product, Benedict J. Barras, Taotao Ling, and Fatima Rivas
Boron neutron capture therapy of cancer: where do we stand now?, Rolf F. Barth, Gong Wu, Maria da Graca H. Vicente, John C. Grecula, and Nilendu Gupta
On the use of modelling antagonistic enzymes to aid in temporal programming of pH and PVA-borate gelation, Nadeem Bashir, Anna S. Leathard, Madeline McHugh, Imogen Hoffman, Fahima Shaon, Jorge A. Belgodere, Annette F. Taylor, and John A. Pojman
Direct photocatalytic C-H functionalization mediated by a molybdenum dioxo complex, Courtney L. Baumberger, Victoria Z. Valley, and Matthew B. Chambers
Distinguishing Molecular Mechanical Action from Photothermal and Photodynamic Behavior, Jacob L. Beckham, Thomas S. Bradford, Ciceron Ayala-Orozco, Ana L. Santos, Dallin Arnold, Alexis R. van Venrooy, Víctor García-López, Robert Pal, and James M. Tour
Position-Dependent Segmental Relaxation in Bottlebrush Polymers, Karin J. Bichler, Bruno Jakobi, Alice Klapproth, Richard A. Mole, and Gerald J. Schneider
Chain dynamics of alternating polymers P(Cn EG4), Karin J. Bichler, Bruno Jakobi, and Gerald J. Schneider
Segmental relaxation of sequence defined polymers, Karin J. Bichler, Bruno Jakobi, and Gerald J. Schneider
Substituent Effects on the Photophysical Properties of a Series of 8(meso)-Pyridyl-BODIPYs: A Computational Analysis of the Experimental Data †, Petia Bobadova-Parvanova, Dylan Goliber, Elijuah Hernandez, Daniel LaMaster, and Maria da Graça H. Vicente
The Challenge of Characterizing High-Concentration Electrolytes at the Molecular Level: A Perspective, Orlando Carrillo-Bohórquez, Revati Kumar, and Daniel G. Kuroda
A transferable classical force field to describe glyme based lithium solvate ionic liquids, Orlando Carrillo-Bohórquez, Daniel G. Kuroda, and Revati Kumar
Structural Information on Supramolecular Copper(II) β-Diketonate Complexes from Atomic Force Microscopy and Analytical Ultracentrifugation, Jonathan S. Casey, Ashley R. Walker, Xianglin Zhai, Jayne C. Garno, Paul S. Russo, and Andrew W. Maverick
Rotaxanes with a photoresponsive macrocycle modulate the lipid bilayers of large and giant unilamellar vesicles, Udyogi N.K. Conthagamage, Rajitha Rajeshwar T, Stijn van der Ham, Nasim Akhtar, Macallister L. Davis, Senuri G. Jayawardana, Lilia Lopez, Hanumantha Rao Vutukuri, Jeremy C. Smith, Micholas Dean Smith, et al.
A molecular metal-organic cage as a recyclable sponge for PFOS removal from water, Monojit Das Bairagya, P. Sophie Ntipouna, Natalie K. Stewart, and Noémie Elgrishi
The role of holistic mentoring ecosystems in mitigating COVID-19 pandemic impacts on the persistence of low-income STEM students, Raeshan D. Davis and Zakiya S. Wilson-Kennedy
Ion-Mediated Structural Discontinuities in Phospholipid Vesicles, Judith U. De Mel, Stefanie Klisch, Sudipta Gupta, and Gerald J. Schneider
Uncovering the binding nature of thiocyanate in contact ion pairs with lithium ions, Samadhan H. Deshmukh, Ernest O. Nachaki, and Daniel G. Kuroda
Infrared Laser Ablation and Capture of Biological Tissue, Blessing C. Egbejiogu, Fabrizio Donnarumma, Chao Dong, and Kermit K. Murray
Infrared Laser Ablation and Capture of Formalin-Fixed Paraffin-Embedded Tissue, Blessing C. Egbejiogu, Fabrizio Donnarumma, and Kermit K. Murray
Methods and Instruments | Linear Sweep and Cyclic Voltammetry, N. Elgrishi, G. Bontempelli, and R. Toniolo
Outstanding Reviewers for Molecular Systems Design & Engineering in 2023, Angelo Gallo, Víctor García-López, Sukhendu Mandal, Rachael Mansbach, Hideki Okamoto, Andrea Rossin, Henrique Silva, Yilei Wu, Jian Zhou, Claire A. Adjiman, et al.
Special Issue on Synthetic Host Molecules, Víctor García-López and Ofer Reany
Promoting equity and addressing concerns in teaching and learning with artificial intelligence, Jennifer Garcia Ramos and Zakiya Wilson-Kennedy
Gas-free initiation for free-radical frontal polymerization through charge transfer complexes, Daniel P. Gary, Md Abdullah Al Mahmud, Madison G. Dawson, and John A. Pojman
Tracking Charge Migration with Frequency-Matched Strobo-Spectroscopy, Kyle A. Hamer, Aderonke S. Folorunso, Kenneth Lopata, Kenneth J. Schafer, Mette B. Gaarde, and François Mauger
Erratum: "Neutron interferometry using a single modulated phase grating" [Rev. Sci. Instrum. 94, 045110 (2023), I. Hidrovo, J. Dey, H. Meyer, D. S. Hussey, N. N. Klimov, L. G. Butler, K. Ham, and W. Newhauser
The Ring-Closing Reaction of Cyclopentadiene Probed with Ultrafast X-ray Scattering, Lisa Huang, Lauren Bertram, Lingyu Ma, Nathan Goff, Stuart W. Crane, Asami Odate, Thomas Northey, Andrés Moreno Carrascosa, Mats Simmermacher, Sri Bhavya Muvva, et al.
Novel ternary Zintl phosphide halides Ba3P5X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure, Mohd Ishtiyak, S. M.Gayomi K. Samarakoon, Thimira Kandabadage Don, Spencer R. Watts, and Sviatoslav Baranets
Advancing Heteroanionicity in Zintl Phases: Crystal Structures, Thermoelectric and Magnetic Properties of Two Quaternary Semiconducting Arsenide Oxides, Eu8Zn2As6O and Eu14Zn5As12O, Mohd Ishtiyak, Spencer R. Watts, Bhushan Thipe, Frank Womack, Philip Adams, Xiaojian Bai, David P. Young, Svilen Bobev, and Sviatoslav Baranets
Reversed dynamics of bottlebrush polymers with stiff backbone and flexible side chains, Bruno Jakobi, Karin J. Bichler, Fanni Juranyi, and Gerald J. Schneider
Effect of Micellar Morphology on the Temperature-Induced Structural Evolution of ABC Polypeptoid Triblock Terpolymers into Two-Compartment Hydrogel Network, Naisheng Jiang, Tianyi Yu, Meng Zhang, Bailee N. Barrett, Haofeng Sun, Jun Wang, Ying Luo, Garrett L. Sternhagen, Sunting Xuan, Guangcui Yuan, et al.
A Tribute to Gregory A. Voth, Jaehyeok Jin, William G. Noid, Jianing Li, Revati Kumar, Jianshu Cao, Seogjoo Jang, Francesco Paesani, and David Reichman
Comprehensive structural study of lanthanide(III) chloride hydrates: [RECl3·xH2O (RE = La–Nd, Sm–Lu; x = 6, 7)], Thimira Kandabadage, Beau Legnon, and Sviatoslav Baranets
Building a Simplistic Automatic Extruder: Instrument Development Opportunities for the Laboratory, Stefanie Klisch, Dylan Gilbert, Emma Breaux, Aliyah Dalier, Sudipta Gupta, Bruno Jakobi, and Gerald J. Schneider
Bipolar Membrane Capacitive Deionization for the Selective Capture of Lithium Ions from Brines and Conversion to Lithium Hydroxide, Tanmay Kulkarni, Aliya Muhammad I. Al Dhamen, Xiaoliu Zhang, Chan Wen Chiu, Hanrui Zhang, Feifei Shi, Revati Kumar, and Christopher G. Arges
ACS Spotlight: Bipolar Membranes for Electrochemical Energy Conversion, Chemical Manufacturing, and Separations, Tanmay Kulkarni, Bin Yang, Xiaoliu Zhang, Revati Kumar, and Christopher G. Arges
Early Preclinical Studies of Ergosterol Peroxide and Biological Evaluation of Its Derivatives, Taotao Ling, Luz V. Arroyo-Cruz, William R. Smither, Emily K. Seighman, Michelle M. Martínez-Montemayor, and Fatima Rivas
Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules, François Mauger, Cristel Chandre, Mette B. Gaarde, Kenneth Lopata, and Kenneth J. Schafer
Lithium ion Speciation in Cyclic Solvents: Impact of Anion Charge Delocalization and Solvent Polarizability, Ernest O. Nachaki and Daniel G. Kuroda
Transitioning from Regular Electrolytes to Solvate Ionic Liquids to High-Concentration Electrolytes: Changes in Transport Properties and Ionic Speciation, Ernest O. Nachaki and Daniel G. Kuroda
Synthesis and Regioselective Functionalization of Tetrafluorobenzo-[α]-Fused BOPYPY Dyes, Sebastian O. Oloo, Guanyu Zhang, Petia Bobadova-Parvanova, Seleen Al Horani, Masa Al Horani, Frank R. Fronczek, Kevin M. Smith, and Maria da Graça H. Vicente
Multifunctional Nanoparticles of Porphyrins and Phthalocyanines: Review of Synthetic Strategies and Emerging Applications, Olajumoke Helen Olubowale, Quynh Do, Neepa Kuruppu Arachchige, Deja Gabrielle Hebert, and Jayne C. Garno
N-Alkylcorroles, Francesco Pizzoli, Sara Nardis, Alessia Fata, Martina Marsotto, Greta Petrella, Frank R. Fronczek, Kevin M. Smith, and Roberto Paolesse
Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity, Nimesha Rajapaksha, Huili Yao, Aisha Cook, Steve Seibold, Lijun Liu, Kevin P. Battaile, Leo Fontenot, Fabrizio Donnarumma, Scott Lovell, and Mario Rivera
Ba5Sb8: The Highest Homologue of the Family of Binary Semiconducting Barium Antimonides BanSb2n−2 (n ≥ 2), S. M.Gayomi K. Samarakoon, Alexander Ovchinnikov, Sviatoslav Baranets, and Svilen Bobev
Probing the Electrode-Electrolyte Interface of Sodium/Glyme-Based Battery Electrolytes, Dodangodage Ishara Senadheera, Orlando Carrillo-Bohorquez, Ernest O. Nachaki, Ryan Jorn, Daniel G. Kuroda, and Revati Kumar
A new computational methodology for the characterization of complex molecular environments using IR spectroscopy: bridging the gap between experiments and computations, Laura X. Sepulveda-Montaño, Johan F. Galindo, and Daniel G. Kuroda
Advancing Cr(VI) Electroreduction: A Redox Mediator to Catalyze the Electrochemical Reduction of Cr(VI) in Water While Preventing Fouling of Carbon Electrodes, Callie M. Stern, Malithi M. Abeythunga, and Noémie Elgrishi
Molecular-level studies of extracellular matrix proteins conducted using atomic force microscopy, Ashley R. Walker, Jonathan R. Sloneker, and Jayne C. Garno
Tribute to Frances Ann Walker, Janet M. Walker, Ursula Simonis, and Mario Rivera
β-Yb2CdSb2—A Complex Non-Centrosymmetric Zintl Polymorph, Spencer R. Watts, Larissa Najera, Michael O. Ogunbunmi, Svilen Bobev, and Sviatoslav Baranets
Completing the Ba–As Compositional Space: Synthesis and Characterization of Three New Binary Zintl Arsenides, Ba3As4, Ba5As4, and Ba16As11, Spencer R. Watts, Lindsey M. Wingate, Svilen Bobev, and Sviatoslav Baranets
Selective phosphate removal with manganese oxide composite anion exchange membranes in membrane capacitive deionization, Bin Yang, Xiaoliu Zhang, Bharat Shrimant, Tanmay Kulkarni, Revati Kumar, and Christopher G. Arges
The crystal structure of Acinetobacter baumannii bacterioferritin reveals a heteropolymer of bacterioferritin and ferritin subunits, Huili Yao, Suliat Alli, Lijun Liu, Anabel Soldano, Anne Cooper, Leo Fontenot, Dristen Verdin, Kevin P. Battaile, Scott Lovell, and Mario Rivera
Precision Synthesis of Conjugated Polymer Films by Surface-Confined Stepwise Sonogashira Cross-Coupling, Sang Gil Youm, Mitchell T. Howell, Chien Hung Chiang, Lu Lu, Neepa M.K. Kuruppu Arachchige, John F. Ankner, Joseph Strzalka, Yaroslav Losovyj, Jayne C. Garno, and Evgueni E. Nesterov
Enriched Molecular-Level View of Saline Wetland Soil Carbon by Sensitivity-Enhanced Solid-State NMR, Wancheng Zhao, Elizabeth C. Thomas, Debkumar Debnath, Faith J. Scott, Frederic Mentink-Vigier, John R. White, Robert L. Cook, and Tuo Wang
Submissions from 2023
Directing the Stereoselectivity of the Claisen Rearrangement to Form Cyclic Ketones with Full Substitution at the α-Positions, Fatimat O. Badmus, Raju S. Thombal, Satish Chandra Philkhana, Joshua A. Malone, Christian E. Bailey, Estefania Armendariz-Gonzalez, Edward W. Mureka, Cale M. Locicero, Frank R. Fronczek, and Rendy Kartika