Scholarly Works, Chemistry

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How yoga interventions are operationalized and reported in the context of mental health and wellbeing RCTs: a systematic review and qualitative synthesis
Frazier, Mary C.; Remskar, Masha; Harden, Samantha M.; Barley, Karsen S.; David, Danielle E.; Guillen, Marina Z.; Olsen, Daryn E.; Markley, Kayla M.; Pullin, Megan J.; Brinsley, Jacinta (2025-12-22)
Background: Yoga is a popular intervention demonstrating promising impacts for mental health and wellbeing. Despite growing research interest, yoga remains poorly operationalized and inconsistently described in scientific literature, hindering dissemination, rigorous evaluation, and replication. This systematic review aims to address this critical knowledge gap by examining how yoga is operationalized in recent mental health and wellbeing research. Methods: We conducted a systematic review of literature from January 2013 to August 2024. Terms relating to yoga, mental health, wellbeing, and interventions were used to search MEDLINE, CINAHL, Embase, Emcare, PsycINFO, and Scopus. Randomized controlled trials that included yoga as the primary intervention and reported a validated measure of mental ill-health, mental wellbeing, or quality of life, were included. Inductive qualitative analyses of yoga definitions and descriptions were conducted. Results: Of 5206 studies identified, 129 were included with exclusion primarily due to study design. Qualitative analysis resulted in a total of 1291 meaning units (MU). Yoga definitions suggest that yoga is operationalized as a practice, complementary and alternative medicine, or system (e.g., encompassing philosophy and practices) with mind-body or mind-body-spirit aspects. Components of yoga included physical such as postures, mental such as meditation, and breath. Conclusions: This is the first systematic review to comprehensively analyze how yoga is operationalised and reported in recent experimental mental health and wellbeing research. Generally, yoga is operationalized as a mind-body or mind-body-spirit practice comprising mental, physical, and breathing components. We provide recommendations to improve the translation and implementation of yoga interventions. Trial registration This study was prospectively registered with PROSPERO (CRD42023455373). Clinical trial number: not applicable.
Harnessing CO₂ Radical Anion-Mediated Electron Transfer for Scalable Copper-Catalyzed Cross-Coupling
Wu, Shuo; Yang, Chia-Jung; Cheng, Mu-Jeng; Liu, Wei (American Chemical Society, 2026-01-14)
The inherently sluggish single-electron transfer from copper(I) complexes to alkyl halides remains a central bottleneck in copper-catalyzed cross-coupling chemistry. Here, we introduce a conceptually distinct strategy that overcomes this limitation by harnessing the unique reactivity of the carbon dioxide radical anion (CO2^·–) to undergo efficient single-electron transfer to alkyl bromides. The strategy relies on the generation of CO2^·– via Cu-catalyzed C–H bond activation of the formate anion. CO2^·– then undergoes an efficient single-electron transfer to alkyl bromides to generate alkyl radicals for subsequent Cu-catalyzed transformations. A broad range of unactivated alkyl bromides and structurally diverse nucleophiles─including heteroaryl amines, sulfonamides, anilines, sulfinates, and nitriles─are efficiently coupled to afford C(sp³)–N, C(sp³)–S, and C(sp³)–C bonds in good to excellent yields. The cost-effectiveness and simplicity of this protocol enable decagram-scale synthesis while facilitating rapid reaction optimization and library synthesis for late-stage diversification of drug molecules through high-throughput experimentation.
Structure-activity relationship study of benserazide derivatives as PilB inhibitors
Quinlan, Joseph E.; Soleymani, Ghazal; Shimozono, Tori M.; Yang, Zhaomin; Santos, Webster L. (Royal Society of Chemistry, 2025-06-04)
Antimicrobial resistance is an imminent health threat worldwide. Development of alternative treatments for drug-resistant microbes is of paramount importance. Targeting virulence factors, such as the type IV pilus construction enzyme PilB, is a strategy of treatment. Recently, we reported the discovery of a potent inhibitor of PilB, the FDA approved drug benserazide (IC50 = 3.68 μM). Herein, we report the structure-activity relationship profiling of benserazide analogues and identify key moieties that enable PilB inhibition. We found that bis-hydroxyl groups on the ortho position of the aryl ring, a rigid imine, and exchange of the serine for a thiol have resulted in marked improvement in potency. Our studies identified 11c as a PilB inhibitor with an IC50 of 580 nM and selectivity for PilB over an unrelated ATPase, apyrase. These compounds provide the chemical tools to validate virulence factors as antibacterial mechanisms of action.
Experimental and Theoretical Investigations of Copper-Catalyzed Chemo-, Regio-, and Stereoselective cis-Hydroboration of 1,3-Enynes
Shiri, Farshad; Buchbinder, Nicklas W.; Bage, Andrew D.; Gwinn, Reilly; Slebodnick, Carla; Santos, Webster L.; Lin, Zhenyang (Wiley-VCH, 2025-12-15)
The mechanistic details of the chemo-, regio-, and stereoselective cis-hydroboration of 1,3-enynes were investigated using X-ray crystallography, kinetic analysis, and density functional theory (DFT) calculations. The kinetic analysis revealed that the reaction is first order in enyne, zeroth order in HBpin, and fractional order in the catalyst. Our studies suggest that a cyclic CuHBpinOAc complex is an off-cycle species (via DFT analysis) that contributes to the experimentally observed fractional rate order regarding the catalyst. Experimental and computational data suggest that hydrocupration is rate-limiting and essential for achieving selectivity.
Phosphine-Catalyzed Regio- and Stereoselective Umpolung Addition of Amides to Alkynoates: Access to Complex α,β-Dehydroamino Acid Derivatives
Buchbinder, Nicklas W.; Dunnavant, Kyle L.; Bage, Andrew D.; Beck, Owen N.; Harris, Kaamia R.; Gwinn, Reilly K.; Santos, Webster L. (American Chemical Society, 2026-01)
Accessing complex α,β-dehydroamino acids remains challenging due to the instability of the enamine product during N-terminal deprotection. We report a mild, organocatalytic method for the installation of primary amides on the α-carbon of alkynoates that avoids N-terminal deprotection. The PBu₃ catalyst is key to umpolung reactivity and affords α,β-dehydroamino acids in good yield with excellent (Z)-selectivity. The utility of this reaction was demonstrated in the synthesis of two natural products: a 2,5-diketopiperazine and scutianene M.
Functional Group Transposition Enabled by Palladium and Photo Dual Catalysis
Xu, Menghua; Wu, Chengjun; Chen, Ming (American Chemical Society, 2025-11-05)
The ability to precisely modify the structure of molecules is a captivating process that has fascinated the synthetic organic and medicinal chemistry communities. To this end, functional group transposition has recently emerged as a powerful strategy to edit molecules and allow for access to novel chemical entities without significantly altering the synthesis routes. Here we disclose an unusual functional group transposition reaction. By using palladium and photo dual catalysis, this radical-induced process enables the transposition between an iodo group and a boryl group to convert iodoarenes appended with an alkylboronate group to arylboronates appended with an alkyl iodide.
Enantioselective Syntheses of Secondary Alkylboronates via Asymmetric Regioselective Reduction of 1,3-Dienylboronates
Cao, Wen-Bin; Hu, Lingfei; Liu, Jiaming; Chen, George; Lu, Gang; Chen, Ming (Wiley-VCH, 2026-01-16)
We report herein the development of catalytic asymmetric synthesis of secondary alkylboronates. Under the optimal conditions, Cu-catalyzed semi-reduction of 1-alkyl- or 1,3-dialkyl-substituted 1-boryl-1,3-butadienes forms secondary alkylboronates with excellent regioselectivities and enantioselectivities. With H₂O as the source of hydrogen, the reaction proceeds through a protoboration and protodeboration cascade reaction sequence to generate the desired boronates. By using a slightly modified protocol, the process allows for access to enantioenriched deuterium-labeled secondary alkylboronates. Density functional theory (DFT) studies were conducted to probe the origins of selectivities.
Asymmetric Ketone Diene Coupling via Stereodivergent Copper Catalysis
Liu, Jiaming; Zhang, Zheye; Troya, Diego; Chen, Ming (American Chemical Society, 2026-02)
We report herein the stereodivergent and enantioselective coupling of ketones with dienes. Under the developed conditions, the reactions of 1,3-butadienyltriisopropylsilane with ketones provide syn-(E)-adducts with excellent enantioselectivities via an α-silyl-(Z)-allylcopper intermediate. By contrast, the reactions between 1,3-dienylboronate and ketones involve an α-boryl-(E)-allylcopper intermediate to give anti-(Z)-adducts with excellent optical purity. The stereodivergence and enantioselectivity of the reactions originate from the distinct allylcopper species involved in the ketone addition step. DFT computational studies provide further evidence to support the analyses.
The need to implement FAIR principles in biomolecular simulations
Amaro, Rommie E.; Aqvist, Johan; Bahar, Ivet; Battistini, Federica; Bellaiche, Adam; Beltran, Daniel; Biggin, Philip C.; Bonomi, Massimiliano; Bowman, Gregory R.; Bryce, Richard A.; Bussi, Giovanni; Carloni, Paolo; Case, David A.; Cavalli, Andrea; Chang, Chia-En A.; Cheatham, Thomas E.; Cheung, Margaret S.; Chipot, Christophe; Chong, Lillian T.; Choudhary, Preeti; Cisneros, G. Andres; Clementi, Cecilia; Collepardo-Guevara, Rosana; Coveney, Peter; Covino, Roberto; Crawford, T. Daniel; Dal Peraro, Matteo; de Groot, Bert L.; Delemotte, Lucie; De Vivo, Marco; Essex, Jonathan W.; Fraternali, Franca; Gao, Jiali; Gelpi, Josep Ll; Gervasio, Francesco L.; Gonzalez-Nilo, Fernando D.; Grubmuller, Helmut; Guenza, Marina G.; Guzman, Horacio V.; Harris, Sarah; Head-Gordon, Teresa; Hernandez, Rigoberto; Hospital, Adam; Huang, Niu; Huang, Xuhui; Hummer, Gerhard; Iglesias-Fernandez, Javier; Jensen, Jan H.; Jha, Shantenu; Jiao, Wanting; Jorgensen, William L.; Kamerlin, Shina CL L.; Khalid, Syma; Laughton, Charles; Levitt, Michael; Limongelli, Vittorio; Lindahl, Erik; Lindorff-Larsen, Kresten; Loverde, Sharon; Lundborg, Magnus; Luo, Yun L.; Luque, F. Javier; Lynch, Charlotte I.; MacKerell, Alexander D.; Magistrato, Alessandra; Marrink, Siewert J.; Martin, Hugh; McCammon, J. Andrew; Merz, Kenneth; Moliner, Vicent; Mulholland, Adrian J.; Murad, Sohail; Naganathan, Athi N.; Nangia, Shikha; Noe, Frank; Noy, Agnes; Olah, Julianna; O'Mara, Megan L.; Ondrechen, Mary Jo; Onuchic, Jose N.; Onufriev, Alexey V.; Osuna, Silvia; Palermo, Giulia; Panchenko, Anna R.; Pantano, Sergio; Parish, Carol; Parrinello, Michele; Perez, Alberto; Perez-Acle, Tomas; Perilla, Juan R.; Pettitt, B. Montgomery; Pietropaolo, Adriana; Piquemal, Jean-Philip; Poma, Adolfo B.; Praprotnik, Matej; Ramos, Maria J.; Ren, Pengyu; Reuter, Nathalie; Roitberg, Adrian; Rosta, Edina; Rovira, Carme; Roux, Benoit; Rothlisberger, Ursula; Sanbonmatsu, Karissa Y.; Schlick, Tamar; Shaytan, Alexey K.; Simmerling, Carlos; Smith, Jeremy C.; Sugita, Yuji; Swiderek, Katarzyna; Taiji, Makoto; Tao, Peng; Tieleman, D. Peter; Tikhonova, Irina G.; Tirado-Rives, Julian; Tunon, Inaki; van der Kamp, Marc W.; van der Spoel, David; Velankar, Sameer; Voth, Gregory A.; Wade, Rebecca; Warshel, Ariel; Welborn, Valerie Vaissier; Wetmore, Stacey D.; Wheeler, Travis J.; Wong, Chung F.; Yang, Lee-Wei; Zacharias, Martin; Orozco, Modesto (Nature Portfolio, 2025-04)
In the Big Data era, a change of paradigm in the use of molecular dynamics is required. Trajectories should be stored under FAIR (findable, accessible, interoperable and reusable) requirements to favor its reuse by the community under an open science paradigm.
Is AMOEBA a Good Force Field for Molecular Dynamics Simulations of Carbohydrates?
Deegbey, Mawuli; Sumner, Ethan W.; Welborn, Valerie Vaissier (2025-05-20)
Over the years, molecular dynamics (MD) simulations have been employed in the study of carbohydrates, with force fields such as CHARMM, AMBER/GLYCAM, and GROMOS. Although these force fields have achieved considerable success and played a pivotal role in our understanding of carbohydrate chemistry, growing interest has emerged in incorporating polarization effects to enhance the accuracy of simulations. In this perspective, we contemplate the advances that have been made in nonpolarizable and polarizable force fields to extract the key factors controlling accuracy in MD of carbohydrates. We find that the extreme hydrophilicity and conformational flexibility of carbohydrates pose challenges for most force fields. Overall, a force field suited for carbohydrates needs to include a water model developed consistently with the solute parameter sets, a soft van der Waals repulsion term at short distances, and polarization (whether implicit or explicit). We find that AMOEBA improves the prediction of hydration shell structure and dynamics, hydrogen bonding, and kinetics of diffusion, although it remains largely untested for conformational flexibility and glycosidic linkages. Nevertheless, AMOEBA’s recent success in modeling monosaccharides without revisions of the potential energy functions or water model presents a promising avenue for future research. Such advances will provide deeper insights into the structure, dynamics, and interactions of these biologically and industrially relevant macromolecules.
Preorganized Electric Fields in Voltage‐Gated Sodium Channels
Zheng, Yi; Chen, Taoyi; Welborn, Valerie Vaissier (Wiley-VCH, 2025-05-27)
Enzymes are reported to catalyze reactions by generating electric fields that promote the evolution of the reaction in the active site. Although seldom used outside enzymatic catalysis, electrostatic preorganization theory and language of electric fields can be generalized to other biological macromolecules. Herein, we performed molecular dynamics simulations of human Nav1.5, Nav1.6, and Nav1.7 with the atomic multipole optmimized energetics for biomolecular applications polarizable force field. We show that in the absence of an external potential, charged and uncharged residues generate strong electric fields that assist in Naþ motion in the pore. This work emphasizes the importance of charge–dipole interactions in modulating Naþ dynamics, in addition to charge–charge interactions, the focus of a majority of previous studies. Finally, we find that residues share a high level of mutual information through electric fields that can enable the optimization of allosteric pathways.
Water Accelerates in the Hydration Shell of the N- and C-Terminal Domains of α-Synuclein in the Presence of NaCl
Koehler, Stephen J.; Welborn, Valerie Vaissier (American Chemical Society, 2026-01)
α-Synuclein (α-Syn) is an intrinsically disordered protein (IDP) whose aggregation into fibrils is implicated in Parkinson's disease (PD). While benign α-Syn aggregation frequently occurs, off-target aggregates are implicated in disease progression. Although most mechanisms of toxic α-Syn aggregate formation are unknown, high concentrations of salt ions have been shown to systematically result in faster aggregation. Previous work suggests that salt slows water in the hydration shell of α-Syn, promoting intermolecular interactions. Here, we use polarizable molecular dynamics (MD) to investigate the interactions between α-Syn and water in response to an increased NaCl concentration. While we also find that the water in the hydration shell of the nonamyloid-β component (NAC) domain slows down with increasing salt concentration, the water in the hydration shell of the N- and C-terminal domains accelerates. The segments of the N- and C-terminal domains that show faster water diffusion kinetics corroborate with truncation experiment results. Overall, our work suggests that α-Syn aggregation is related to partial salt-induced dehydration of the N- and C-terminal domains.
Tuning Polyacrylate Composition to Recognize and Modulate Fluorescent Proteins
Gomez, Darwin C.; Seth, Swarnadeep; Mondal, Ronnie; Koehler, Stephen J.; Baker, Jared G.; Plate, Charles; Anderson, Ian C.; Smith, Mikayla R.; Gloriod, Joey; Gunter, Morgan; Welborn, Valerie Vaissier; Deshmukh, Sanket A.; Figg, C. Adrian (Wiley-VCH, 2026-01-09)
Molecular definition is usually regarded as a prerequisite to achieve protein recognition and functional modulation, particularly for macromolecular interactions. Herein, we report that polymers with specific combinations of monomers arranged into random sequences [random hetero oligomers (RHOs)] can selectively bind to a model protein. Using green fluorescent protein (GFP) as a target, polyacrylates were developed that bound with nanomolar affinity and enhanced fluorescence by >100%. Purification of the polymerization product revealed subpopulations of compositions with distinct affinities and selectivity for GFP over a competing protein. Experimental and computational binding analyses confirmed that there are distinct RHO–GFP interactions, which are influenced by RHO chemical composition. These findings show that sequence-defined structures are not a prerequisite for selective protein recognition. Synthetic polymers can instead serve as scalable, tunable platforms for molecular recognition—representing a significant leap towards next-generation sensing, therapeutic, responsive, and catalytic materials in domains previously dominated by biologics or complex peptide scaffolds.
Silica-Biomacromolecule Interactions: Toward a Mechanistic Understanding of Silicification
McCutchin, Christina A.; Edgar, Kevin J.; Chen, Chun-Long; Dove, Patricia M. (American Chemical Association, 2024-10-09)
Silica-organic composites are receiving renewed attention for their versatility and environmentally benign compositions. Of particular interest is how macromolecules interact with aqueous silica to produce functional materials that confer remarkable physical properties to living organisms. This Review first examines silicification in organisms and the biomacromolecule properties proposed to modulate these reactions. We then highlight findings from silicification studies organized by major classes of biomacromolecules. Most investigations are qualitative, using disparate experimental and analytical methods and minimally characterized materials. Many findings are contradictory and, altogether, demonstrate that a consistent picture of biomacromolecule-Si interactions has not emerged. However, the collective evidence shows that functional groups, rather than molecular classes, are key to understanding macromolecule controls on mineralization. With recent advances in biopolymer chemistry, there are new opportunities for hypothesis-based studies that use quantitative experimental methods to decipher how macromolecule functional group chemistry and configuration influence thermodynamic and kinetic barriers to silicification. Harnessing the principles of silica-macromolecule interactions holds promise for biocomposites with specialized applications from biomedical and clean energy industries to other material-dependent industries.
Ecological Prevalence and Non-Enzymatic Formation of Imidazolium Alkaloids on Moon Snail Egg Collars
Piedl, Karla; Agee, Caitlyn O.; Tarulli, Anthony G.; Campbell, Rose; Banks, Paige; Buchbinder, Nicklas W.; Williamson, R. Thomas; Mevers, Emily (MDPI, 2026-01-01)
Microorganisms wage constant chemical battles against one another as they compete for space and scarce nutrients, particularly within animal-associated habitats. Here, binary assays were used to investigate chemical interactions among Flavobacteriaceae within Neverita delessertiana egg collars, a moon snail common to the Gulf Coast. Analysis of 140 distinct pairings revealed eight that exhibited growth-inhibitory activity. Chemical evaluation of the crude extract from Cellulophaga omnivescoria EM610, which inhibited the growth of three other Flavobacteriaceae, resulted in the isolation of bacillimidazoles A (1) and E (2), two previously characterized metabolites, isolated from a marine Bacillus species. Further work demonstrated that these compounds are readily formed spontaneously by condensation of 2,3-butanedione with phenethylamine and/or tryptamine. Tandem mass spectrometry analysis of the chemical extracts of individual moon snail egg collars revealed the presence of bacillimidazole A in 62% of the egg collars.
Trifluoromethylation of alkyl electrophiles with ¹¹C- or ¹⁸F-labeled fluoroform for PET applications
Wang, Chao; DeMent, Paul; Jana, Susovan; Hong, Jinsoo; Pike, Victor W.; Liu, Wei (American Association for the Advancement of Science, 2025-12-18)
Continued development of positron emission tomography (PET) tracers is essential for advancing molecular imaging in biomedical research and clinical diagnostics. A long-standing limitation in radiochemistry for PET imaging has been the lack of general methods for radiolabeling trifluoromethyl (CF3) groups at C(sp3) sites, despite their growing prevalence in bioactive molecules and radiopharmaceuticals. Here, we present a general approach for late-stage installation of either a [18F]CF3 or [11C]CF3 group at a C(sp3) site. This method leverages unusual copper-mediated radiotrifluoromethylation of alkyl halides and alkyl carboxylic acids by halogen atom transfer and photoredox catalysis, respectively. More than 50 complex molecules and pharmaceutical agents were efficiently labeled with fluorine-18 (18F) or carbon-11 (11C). Two long-sought-after radioligands, [18F]SL25.1188 and [18F]PS13, were synthesized, providing longer-lived 18F analogs of their 11C counterparts with great promise for human PET imaging.
Biogenic Amine-Containing 1,4-Naphthoquinones Mediate Extracellular Electron Transfer in Lactiplantibacillus plantarum
Blackburn, Benjamin T.; Barton, Joseph; Hoernig, Micah; Brown, Anne M.; Mevers, Emily (American Chemical Society, 2025-09-19)
Lactiplantibacillus plantarum, a lactic acid gut bacterium, uses exogenous quinones to facilitate extracellular electron transfer (EET) via type II NADH dehydrogenase (Ndh2). To probe Ndh2 specificity, we designed and evaluated a library of biogenic amine-substituted 1,4-naphthoquinones in an Ndh2-dependent EET assay. Analysis of mediator Ndh2 binding interactions revealed that activity correlates with key binding interactions. Specifically, mediators containing aromatic substitutions elicit favorable Ndh2 interactions, promoting EET.
The Nobilamides: Potent Biofilm Inhibitors Produced by the Microbiota of Moon Snail Egg Masses
Kyei, Lois; Campbell, Rose; Menegatti, Carla; Mevers, Emily (American Chemical Society, 2025-06-20)
Bacterial biofilm infections have become increasingly challenging to treat as bacteria living in a biofilm state are more resistant to antibiotics and protected from the host immune response. Eradicating biofilm infections generally requires treatment with high doses of antibiotics for prolonged periods; however, the rise in antibiotic resistance further challenges these treatments. Unfortunately, there are no approved drugs that inhibit or disrupt biofilm formation. Here, we leveraged our library of bacteria associated with moon snail egg masses found in Puerto Rico, using mass spectrometry-based metabolomics, to discover biofilm inhibitors. Analysis of a chemical fraction library revealed a set of peptides in fractions exhibiting potent inhibition of Staphylococcus aureus biofilms. Bioassay-guided isolation led to the isolation of lipopeptides, the nobilamides, which were previously shown to possess antibacterial activity and TRPV1 antagonist properties but were never evaluated in a biofilm inhibition assay. A thorough evaluation of the biofilm inhibition activity of A-3302-B and A-3302-A revealed they potently inhibit biofilm formation with IC50 of 161 ± 85 and 598 ± 66 nM, respectively. Interestingly, nobilamide A and B, linear analogs, are 500-fold less active than their cyclic analogs.
Accurate and interpretable representation of correlated electronic structure via Tensor Product Selected CI
Braunscheidel, Nicole M.; Bachhar, Arnab; Mayhall, Nicholas J. (Royal Society Chemistry, 2024-11-06)
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning, has long been a challenge in quantum chemistry. The difficulty in drawing physical conclusions from a wavefunction is often related to the generally large number of configurations with similar weights. In Tensor Product Selected Configuration Interaction (TPSCI), we use a locally correlated tensor product state basis, which has the effect of concentrating the weight of a state onto a smaller number of physically interpretable degrees of freedom. In this paper, we apply TPSCI to a series of three molecular systems ranging in separability, one of which is the first application of TPSCI to an open-shell bimetallic system. For each of these systems, we obtain accurate solutions to large active spaces, and analyze the resulting wavefunctions through a series of different approaches including (i) direct inspection of the TPS basis coefficients, (ii) construction of Bloch effective Hamiltonians, and (iii) computation of cluster correlation functions.
Rechargeable Manganese Dioxide Hard Carbon Lithium Batteries in an Ether Electrolyte
Xia, Dawei; Rosenberg, Keith; Li, Yilin; Hu, Anyang; Sun, Chengjun; Li, Luxi; Nordlund, Dennis; Sainio, Sami; Huang, Haibo; Lin, Feng (Electrochemical Society, 2024-03-31)
Earth-abundant, cost-effective electrode materials are essential for sustainable rechargeable batteries and global decarbonization. Manganese dioxide (MnO2) and hard carbon both exhibit high structural and chemical tunability, making them excellent electrode candidates for batteries. Herein, we elucidate the impact of electrolytes on the cycling performance of commercial electrolytic manganese dioxide in Li chemistry. We leverage synchrotron X-ray analysis to discern the chemical state and local structural characteristics of Mn during cycling, as well as to quantify the Mn deposition on the counter electrode. By using an ether-based electrolyte instead of conventional carbonate electrolytes, we circumvent the formation of a surface Mn(II)-layer and Mn dissolution from LixMnO2. Consequently, we achieved an impressive similar to 100% capacity retention for MnO2 after 300 cycles at C/3. To create a lithium metal-lean full cell, we introduce hard carbon as the anode which is compatible with ether-based electrolytes. Commercial hard carbon delivers a specific capacity of similar to 230 mAh g-1 at 0.1 A g-1 without plateau, indicating a surface-adsorption mechanism. The resulting manganese dioxide

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