Reversible Structural Changes Research Articles

A benzothiazole-salt-based fluorescent probe for precise monitoring the changes of pH and viscosity

This work presented a novel ratiometric fluorescent probe (NBO) based on benzothiazole dye, which could monitor the pH fluctuations with high sensitivity via the intramolecular charge transfer (ICT) process. NBO was developed with a good linear response in the pH range of 5.75–7.00 (pKa = 6.5) and a reversible structural change in acidic and alkaline environments. Besides, NBO also has the potential to detect the viscosity changes. Meanwhile, NBO has been successfully applied to the pH monitoring of a variety of water samples in natural environment and human serum. With the treatment of different solutions at pH 2.0 - pH 9.0, the test strips showed significant color changes under both 365 nm UV lamp and room light. When the test strips were applied to white wine, pH could be detected quickly and easily by the naked eyes. Therefore, a novel probe that can be used to detect pH in environment, human serum and food has been successfully developed.

Post-high-pressure temperature and time — Overlooked parameters in high pressure treatment of bacterial spores

High pressure (HP) processing has high potential for bacterial spore inactivation with minimal thermal input. To advance HP germination and subsequent inactivation of spores, this study explored the physiological state of HP-treated spores using flow cytometry (FCM). Bacillus subtilis spores were treated at 550 MPa and 60 °C (very HP (vHP)) in buffer, incubated after the HP treatment, and stained for FCM analysis with SYTO16 indicating germination and propidium iodide (PI) indicating membrane damage. FCM subpopulations were analyzed depending on the HP dwell time (≤20 min), post-HP temperature (ice, 37 °C, 60 °C) and time (≤4 h), germination-relevant cortex-lytic enzymes (CLEs) and small-acid-soluble-proteins-(SASP)-degrading enzymes by using deletion strains. The effect of post-HP temperatures (ice, 37 °C) was additionally studied for moderate HP (150 MPa, 38 °C, 10 min).Post-HP incubation conditions strongly influenced the prevalence of five observed FCM subpopulations. Post-HP incubation on ice did not or only slowly shifted SYTO16-positive spores to higher SYTO16 levels. At 37 °C post-HP, this shift accelerated, and a shift to high PI intensities occurred depending on the HP dwell time. At 60 °C post-HP, the main shift was from SYTO16-positive to PI-positive subpopulations. The enzymes CwlJ and SleB, which are CLEs, seemed both necessary for PI or SYTO16 uptake, and to have different sensitivities to 550 MPa and 60 °C. Different extents of SASP degradation might explain the existence of two SYTO16-positive subpopulations. Shifts to higher SYTO16 intensities during post-HP incubation on ice or at 37 °C might rely on the activity and recovery of CLEs, SASP-degrading enzymes or their associated proteins from reversible HP-induced structural changes. These enzymes seemingly become active only during decompression or after vHP treatments (550 MPa, 60 °C). Based on our results, we provide a refined model of HP germination-inactivation of B. subtilis spores and an optimized FCM method for quantification of the safety-relevant subpopulation, i.e., vHP (550 MPa, 60 °C) superdormant spores.This study contributes to the development of mild spore inactivation processes by shedding light on overlooked parameters: post-HP incubation conditions. Post-HP conditions significantly influenced the physiological state of spores, likely due to varying enzymatic activity. This finding may explain inconsistencies in previous research and shows the importance of reporting post-HP conditions in future research. Furthermore, the addition of post-HP conditions as HP process parameter may open up new possibilities to optimize HP-based inactivation of spores for potential industrial applications in the food industry.

Occurrence of anionic redox with absence of full oxidation to Ru5+ in high-energy P2-type layered oxide cathode

The anionic redox has been widely studied in layered-oxide-cathodes in attempts to achieve high-energy-density for Na-ion batteries (NIBs). It is known that an oxidation state of Mn4+ or Ru5+ is essential for the anionic reaction of O2−/O− to occur during Na+ de/intercalation. However, here, we report that the anionic redox can occur in Ru-based layered-oxide-cathodes before full oxidation of Ru4+/Ru5+. Combining studies using first-principles calculation and experimental techniques reveals that further Na+ deintercalation from P2-Na0.33[Mg0.33Ru0.67]O2 is based on anionic oxidation after 0.33 mol Na+ deintercalation from P2-Na0.67[Mg0.33Ru0.67]O2 with cationic oxidation of Ru4+/Ru4.5+. Especially, it is revealed that the only oxygen neighboring 2Mg/1Ru can participate in the anionic redox during Na+ de/intercalation, which implies that the Na–O–Mg arrangement in the P2-Na0.33[Mg0.33Ru0.67]O2 structure can dramatically lower the thermodynamic stability of the anionic redox than that of cationic redox. Through the O anionic and Ru cationic reaction, P2-Na0.67[Mg0.33Ru0.67]O2 exhibits not only a large specific capacity of ∼172 mA h g−1 but also excellent power-capability via facile Na+ diffusion and reversible structural change during charge/discharge. These findings suggest a novel strategy that can increase the activity of anionic redox by modulating the local environment around oxygen to develop high-energy-density cathode materials for NIBs.

Ultrahigh‐Capacity Rocksalt Cathodes Enabled by Cycling‐Activated Structural Changes

AbstractMn‐redox‐based oxides and oxyfluorides are considered the most promising earth‐abundant high‐energy cathode materials for next‐generation lithium‐ion batteries. While high capacities are obtained in high‐Mn content cathodes such as Li‐ and Mn‐rich layered and spinel‐type materials, local structure changes and structural distortions ( often lead to voltage fade, capacity decay, and impedance rise, resulting in unacceptable electrochemical performance upon cycling. In the present study, structural transformations that exploit the high capacity of Mn‐rich oxyfluorides while enabling stable cycling, in stark contrast to commonly observed structural changes that result in rapid performance degradation, are reported. It is shown that upon cycling of a cation‐disordered rocksalt (DRX) cathode (Li1.1Mn0.8Ti0.1O1.9F0.1, an ultrahigh capacity of ≈320 mAh g−1 (energy density of ≈900 Wh kg−1) can be obtained through dynamic structural rearrangements upon cycling , along with a unique voltage profile evolution and capacity rise. At high voltage, the presence of Mn4+ and Li+ vacancies promotes local cation ordering, leading to the formation of domains of a “δ phase” within the disordered framework. On deep discharge, Mn4+ reduction, along with Li+ insertion transform the structure to a partially ordered DRX phase with a β′‐LiFeO2‐type arrangement. At the nanoscale, domains of the in situ formed phases are randomly oriented, allowing highly reversible structural changes and stable electrochemical cycling. These new insights not only help explain the superior electrochemical performance of high‐Mn DRXbut also provide guidance for the future development of Mn‐based, high‐energy density oxide, and oxyfluoride cathode materials.

Uncovering allostery and regulation in SORCIN through molecular dynamics simulations

Soluble resistance-related calcium-binding protein or Sorcin is an allosteric, calcium-binding Penta-EF hand (PEF) family protein implicated in multi-drug resistant cancers. Sorcin is known to bind chemotherapeutic molecules such as Doxorubicin. This study uses in-silico molecular dynamics simulations to explore the dynamics and allosteric behavior of Sorcin in the context of Ca2+ uptake and Doxorubicin binding. The results show that Ca2+ binding induces large, but reversible conformational changes in the Sorcin structure which manifest as rigid body reorientations that preserve the local secondary structure. A reciprocal allosteric handshake centered around the EF5 hand is found to be key in Sorcin dimer formation and stabilization. Binding of Doxorubicin results in rearrangement of allosteric communities which disrupts long-range allosteric information transfer from the N-terminal domain to the middle lobe. However, this binding does not result in secondary structure destabilization. Sorcin does not appear to have a distinct Ca2+ activated mode of Doxorubicin binding. Communicated by Ramaswamy H. Sarma

Tailoring high-energy storage NaNbO3-based materials from antiferroelectric to relaxor states

Reversible field-induced phase transitions define antiferroelectric perovskite oxides and lay the foundation for high-energy storage density materials, required for future green technologies. However, promising new antiferroelectrics are hampered by transition´s irreversibility and low electrical resistivity. Here, we demonstrate an approach to overcome these problems by adjusting the local structure and defect chemistry, delivering NaNbO3-based antiferroelectrics with well-defined double polarization loops. The attending reversible phase transition and structural changes at different length scales are probed by in situ high-energy X-ray diffraction, total scattering, transmission electron microcopy, and nuclear magnetic resonance spectroscopy. We show that the energy-storage density of the antiferroelectric compositions can be increased by an order of magnitude, while increasing the chemical disorder transforms the material to a relaxor state with a high energy efficiency of 90%. The results provide guidelines for efficient design of (anti-)ferroelectrics and open the way for the development of new material systems for a sustainable future.

Multifunctional soft stretchable strain sensor for complementary optical and electrical sensing of fatigue cracks

Fatigue-induced cracking in steel components and other brittle materials of civil structures is one of the primary mechanisms of degrading structural integrity and can lead to sudden failures. However, these cracks are often difficult to detect during visual inspections, and off-the-shelf sensing technologies can generally only be used to monitor already identified cracks because of their spatial localization. A solution is to leverage advances in large area electronics to cover large surfaces with skin-type sensors. Here, the authors propose an elastic and stretchable multifunctional skin sensor that combines optical and capacitive sensing properties. The multifunctional sensor consists of a soft stretchable structural color film sandwiched between transparent carbon nanotube electrodes to form a parallel plate capacitor. The resulting device exhibits a reversible and repeatable structural color change from light blue to deep blue with an angle-independent property, as well as a measurable change in capacitance, under external mechanical strain. The optical function is passive and engineered to visually assist in localizing fatigue cracks, and the electrical function is added to send timely warnings to infrastructure operators. The performance of the device is characterized in a free-standing configuration and further extended to a fatigue crack monitoring application. A correlation coefficient-based image processing method is developed to quantify the strain measured by the optical color response. Results show that the sensor performs well in detecting and quantifying fatigue cracks using both the color and capacitive signals. In particular, the color signal can be measured with inexpensive cameras, and the electrical signal yields good linearity, resolution, and accuracy. Tests conducted on two steel specimens demonstrate a minimum detectable crack length of 0.84 mm.

Reversible Single Electron Redox Steps Convert Polycycles with a C3 P3 Core to a Planar Triphosphinine.

Reaction of the imidazolium-stabilized diphosphete-diide IDP with trityl phosphaalkyne affords a mixture which contains the molecules 1 a and 1 b with a central C3 P3 core, which formally carries a two-fold negative charge. In order to avoid the formation of an antiaromatic 8π electron system within a conjugated dianionic six-membered [C3 P3 ]2- ring, 1 a adopts a bicyclic [3.1.0] and 1 b a tricyclic [2.2.0.0] structure which are in a dynamic equilibrium. 1 a, b can be reversibly oxidized to a triphosphinine dication [5]2+ with a central flat aromatic six-membered C3 P3 ring. This two-electron redox reaction occurs in two single-electron transfer steps via the 7π-radical cation [4]⋅+ , which could also be isolated and fully characterized. The profound reversible structural change observed for the two-electron redox couple [5]2+ /1 a, b is in sharp contrast to the C6 H6 /[C6 H6 ]2- couple, which undergoes only a modest structural deformation.

Reversible Single Electron Redox Steps Convert Polycycles with a C3P3 Core to a Planar Triphosphinine

AbstractReaction of the imidazolium‐stabilized diphosphete‐diide IDP with trityl phosphaalkyne affords a mixture which contains the molecules 1 a and 1 b with a central C3P3 core, which formally carries a two‐fold negative charge. In order to avoid the formation of an antiaromatic 8π electron system within a conjugated dianionic six‐membered [C3P3]2− ring, 1 a adopts a bicyclic [3.1.0] and 1 b a tricyclic [2.2.0.0] structure which are in a dynamic equilibrium. 1 a, b can be reversibly oxidized to a triphosphinine dication [5]2+ with a central flat aromatic six‐membered C3P3 ring. This two‐electron redox reaction occurs in two single‐electron transfer steps via the 7π‐radical cation [4]⋅+, which could also be isolated and fully characterized. The profound reversible structural change observed for the two‐electron redox couple [5]2+/1 a, b is in sharp contrast to the C6H6/[C6H6]2− couple, which undergoes only a modest structural deformation.

Linking structural changes with desiccation protection of intrinsically disordered proteins.

All life depends on water, yet numerous organisms ranging from bacteria to plants must contend with extreme dehydration in order to survive. Remarkably, many of these organisms independently evolved intrinsically disordered proteins (IDPs) that help them survive in a dry state. The molecular mechanism by which these protective disordered proteins work remains unknown. It has been hypothesized that the protective effect of such IDPs stems from a structural change that occurs as their surroundings dehydrate. To test this hypothesis we use circular dichroism (CD) spectroscopy to observe the helicity of protective IDPs from four different organisms before, during, and after desiccation, and in the presence and absence of cosolutes such as trehalose and sucrose that are abundant in these desiccated organisms. We then compare our structural data with enzymatic assays that gauge the ability of the same IDPs to protect proteins from desiccation in the same conditions. Our results link structural changes with the protective ability of IDPs. They also highlight the importance of the full-length sequence in ensuring reversible structural changes and increased protective ability of this important class of disordered proteins.

Reversible changes in structure and function of photosynthetic apparatus of pea (Pisum sativum) leaves under drought stress.

The effects of drought on photosynthesis have been extensively studied, whereas those on thylakoid organization are limited. We observed a significant decline in gas exchange parameters of pea (Pisum sativum) leaves under progressive drought stress. Chl a fluorescence kinetics revealed the reduction of photochemical efficiency of photosystem (PS)II and PSI. The non-photochemical quenching (NPQ) and the levels of PSII subunit PSBS increased. Furthermore, the light-harvesting complexes (LHCs) and some of the PSI and PSII core proteins were disassembled in drought conditions, whereas these complexes were reassociated during recovery. By contrast, the abundance of supercomplexes of PSII-LHCII and PSII dimer were reduced, whereas LHCII monomers increased following the change in the macro-organization of thylakoids. The stacks of thylakoids were loosely arranged in drought-affected plants, which could be attributed to changes in the supercomplexes of thylakoids. Severe drought stress caused a reduction of both LHCI and LHCII and a few reaction center proteins of PSI and PSII, indicating significant disorganization of the photosynthetic machinery. After 7 days of rewatering, plants recovered well, with restored chloroplast thylakoid structure and photosynthetic efficiency. The correlation of structural changes with leaf reactive oxygen species levels indicated that these changes were associated with the production of reactive oxygen species.

Elastomeric Core/Conductive Sheath Fibers for Tensile and Torsional Strain Sensors.

Motion sensing, aimed at detecting and monitoring mechanical deformation, has received significant attention in various industrial and research fields. In particular, fiber-structured mechanical strain sensors with carbon-based materials have emerged as promising alternatives for wearable applications owing to their wearability and adaptability to the human body. Various materials, structures, sensing mechanisms, and fabrication methods have been used to fabricate high-performance fiber strain sensors. Nevertheless, developing multi-modal strain sensors that can monitor multiple deformations remains to be accomplished. This study established core/sheath fiber multi-modal strain sensors using polymer and carbon nanotubes (CNTs). Specifically, a flexible and conductive CNT sheet was wrapped onto the elastomeric core fiber at a certain angle. This wrapping angle allowed the CNTs to mechanically deform under tensile and torsional deformations without fatal structural damage. The CNTs could sense both tensile and torsional strains through reversible structural changes during deformations. The fiber strain sensor exhibited an increase of 124.9% and 9.6% in the resistance during tensile and torsional deformations of 100% and 1250 rad/m, respectively.

A tri-response colorimetric-fluorescent probe for pH and lysosomal imaging

Intracellular pH has been associated with multiple biological processes. However, fluorescent probes for pH are limited. Herein, a new pH fluorescent probe was developed based on reversible structural changes. This probe provided three reversible pH response modes within 2.00–12.00. Under the acidic conditions, there is no-fluorescence, under the neutral conditions, the emission is at 650 nm, under the alkaline conditions, the emissions at 650 nm decreases and at 460 nm appears and increases simultaneously. The probe solution presented distinct colors response to the pH values from 2.00 to 12.00. The fluorescent response from pH 2.00–12.00 makes the probe suitable for the monitoring pH in living cells. Moreover, the imaging results confirm that probe S can be applied in fluorescence imaging in living cells.

Hemipiperazines as peptide-derived molecular photoswitches with low-nanomolar cytotoxicity

Molecular photoswitches transform light energy into reversible structural changes. Their combination with known pharmacophores often allows for photomodulation of the biological activity. The effort to apply such compounds in photopharmacology as light-activated pro-drugs is, however, hampered by serious activity reduction upon pharmacophore modifications, or limited biostability. Here we report that a potent antimitotic agent plinabulin and its derivatives demonstrate up to 56-fold reversible activity photomodulation. Alternatively, irreversible photoactivation with cyan light can enhance the cytotoxicity up to three orders of magnitude—all without compromising the original activity level, as the original pharmacophore structure is unchanged. This occurs due to the presence of a peptide-derived photoswitchable motif hemipiperazine inside the plinabulin scaffold. Furthermore, we systematically describe photochromism of these thermally stable and biocompatible hemipiperazines, as well as a photoswitchable fluorophore derived from plinabulin. The latter may further expand the applicability of hemipiperazine photochromism towards super-resolution microscopy.

Electrochemical Analyses of Redox-Active Minerals: Insights and Persisting Challenges

Redox-active minerals often have complex electrochemical properties that are difficult to quantify and explain. Quantification is difficult because many redox-active minerals are poorly conductive, prone to dissolution, and capable of undergoing reversible and irreversible structural changes during redox cycling. Explaining a mineral's electrochemical properties is frequently challenging because minerals can undergo complex ion transport processes in their structures and undergo charge redistribution processes that occur within the crystal lattice on long time scales. In this talk, I will present the insights I have gained from studying environmentally relevant iron- and manganese-bearing minerals over the past 15 years. The presentation will include how electrochemical analyses can be used to quantify the thermodynamic properties of minerals and how these properties relate to their redox reactivities with environmentally relevant phases. The talk will also cover persisting challenges that exist in this field.

Effect of ATR sample holder on the FT-IR spectrum of polypropylene foil

Pressing by ATR (Attenuate Total Reflection) accessory on the sample can cause reversible or irreversible material structure changes in the plastics. In the successive ATR- FT-IR spectra of the PP (polypropylene) film under constant compression, the shift of the baseline and the changes in the peak intensities can be observed, respectively. To interpret the changes in IR absorbances of the PP foil sample, a semi-empirical model is proposed by us. To separate the wavenumber-dependent and independent factors influencing the spectra, a spectrum pre-processing method consisting of baseline correction (rubber band correction) and SNV1-Anti-SNV2 transformation (SAS; SNV = standard normal variate) has been developed. With this spectrum pretreatment, the wavenumber-independent effect of the ATR sample holder on the IR spectrum can be compensated. As a result, the wavenumber-dependent effect can be uncovered. The feature of our spectrum pretreatment strategy to eliminate the wavenumber-independent effect is also supported by a mathematical deduction. The significant absorbance change induced by continuous clamping to PP foil has been confirmed by regression analysis. Correlation analysis among the spectral peaks shows strong correlations separately for both the primary and for the transformed spectra. Any peak combination of the primary spectra results in positive correlations. For the transformed spectra reflecting back only the wavenumber-dependent factor effect, the correlations between the peak intensities of the stretching and the bending vibrations are all negative. These negative correlations suggest that the compression applied in the ATR sample holder is give a rise to steric hindrance in deformation vibrations and affects the polarities of C-H valence bonds.

Water Dynamics in Aqueous Poly-N-Isopropylacrylamide Below and Through the Lower Critical Solution Temperature.

Poly-N-isopropylacrylamide (PNIPAM) is a thermo-responsive polymer that exhibits a reversible structural change from extended chains to aggregates in aqueous solution above its lower critical solution temperature (LCST). Using polarization-selective IR pump-probe spectroscopy, the water orientational dynamics in PNIPAM from below to above the LCST were examined and compared to those of its monomer solution, N-isopropylacrylamide (NIPAM), polyacrylamide, and an acrylamide monomer solution, which are not thermo-responsive. The OD stretch of dilute HOD in H2O is used as a vibrational probe of water orientational dynamics. Below the LCST of the polymer, NIPAM and PNIPAM solutions exhibited identical water dynamics that were significantly different from those of bulk water, containing both faster and slower components due to solute-water interactions. Therefore, there is no difference in the nature of water interactions with a single NIPAM moiety and a long polymer chain. For all systems, including PNIPAM below and above the LCST, the orientational dynamics were modeled with a bulk water component and a polymer/monomer-associated component based on previous experimental and computational findings. Above the LCST, PNIPAM showed fast water orientational relaxation but much slower long-time dynamics compared to those of NIPAM. The slow component in PNIPAM, which was too slow to be accurately measured due to the limited OD vibrational lifetime, is ascribed to water confined in small voids (<2 nm in diameter) of PNIPAM globules. These results highlight important details about thermo-responsive polymers and the dynamics of their solvation water as they undergo a significant structural change.

Structural Color Controllable Humidity Response Chiral Nematic Cellulose Nanocrystalline Film.

Through self-assembly, environmentally friendly cellulose nanocrystals (CNCs) can form films with a photonic crystal structure whose pitch size can be adjusted in a variety of ways at the fabrication stage. Moreover, the films exhibit response performance to multiple stimuli, which offers extensive applications. Poly(ethylene glycol) (PEG) and CNCs combine to form a smaller chiral nematic domain that develops a solid film with a uniform spiral structure when slowly dried. By changing the composition of CNCs and PEG, flexible and flat photonic composite films with uniform structural colors from blue to red are prepared. Benefiting from the change in pitch size by insertion and detachment of water molecules into the chiral nematic structure, CNCs films and CNC-PEG composite films exhibit a reversible structural color change in response to different humidity. In addition, the chiral nematic films formed by the combination of glycerol and CNCs have a reversible stimulation response to hydrochloric acid gas. Similarly, adjusting the ratio of glycerol can control the pitch size of the films and, thus, the reflective color. In summary, the pitch size of the photonic crystal structure of the films can be precisely tuned by regulating the additive ratio, and the two prepared films have reversible responses to humidity and hydrochloric acid gas, respectively. The CNC-based films show promise in the application of colorimetric biosensors.

Genome-wide identification of CrRLK1L gene family and desiccation-induced expression profiles in Boea hygrometrica

Catharanthus roseus receptor-like kinase 1-like (CrRLK1L) proteins constitute a subfamily of receptor-like kinases (RLKs) that play diverse roles during fertilization, vegetative development and plant pathogen interactions. CrRLK1Ls possess a unique malectin-like domain at N-terminal that bind to oligo- or polysaccharides from cell wall polymers, byproducts of cell wall degradation, or membrane-associated or secreted glycosylated proteins. CrRLK1L members have been identified in many organisms, however, the study of this gene family in resurrection plant species has not been reported to date. Resurrection plants are a kind of extremophiles that can survive extreme drought stress (desiccation) and recover rapidly after rehydration, and display specific and reversible cell wall structure and component changes during dehydration and rehydration. Here, we identified 18 CrRLK1L protein members in the resurrection plant Boea hygrometrica genome and classified them into 9 clades based on the conserved amino acid sequences. Phylogenetic analysis reveals the expansion of FER clade, the absence of MEDOS and CVY clades and the emergence of a new Bh-specific clade in BhCrRLK1L protein family. Analysis of cis-regulatory elements has predicted several types of drought induced elements and/or drought related hormone responsiveness elements in the promoter regions of all BhCrRLK1Ls. In agreement, we found 15 members of BhCrRLK1Ls change their expression pattern in response to drought stress, based on a previous transcriptome survey. Subsequent qRT-PCR validation of selected 7 BhCrRLK1L genes confirmed that BhFER1, BhCrRLK1L14 and BhCrRLK1L15 are induced by desiccation, and BhFER3, BhCrRLK1L17 and BhCrRLK1L18 are repressed by desiccation. Our study systematically identified the CrRLK1L members in B. hygrometrica, and analyzed the gene expression profiles in response to desiccation stresses, which lays a foundation for exploring the function of BhCrRLK1Ls in desiccation signal transduction in B. hygrometrica.

(Digital Presentation) Elucidating the Charge Storage Mechanism on Ti3C2 MXene through in-Situ/Operando Raman Spectroelectrochemistry

Current climate issues we face can be partially remedied through the inclusion of renewable energy sources. However, these energy sources suffer from the need for highly efficient energy storage systems. To this end, studies have been conducted on developing energy storage materials that can provide high energy and power densities. Two-dimensional (2D) carbide and nitride MXenes have the potential to provide both if their mechanism of charge storage is known. Here, we use in-situ/operando Raman spectroelectrochemistry to investigate the charge storage mechanism of the benchmark Ti3C2 MXene in acidic and neutral media (0.1M HCl and 0.5M NaSO4, respectively). We found that overcharging of the MXene electrode occurs during electrochemical charging, which draws positively charged ions towards the MXene’s surface to enable a pseudocapacitive process or Faradaic redox process. The material then undergoes reversible redox processes accompanied by reversible structural changes within its stable voltage window during electrochemical charge storage. I will show density functional theory (DFT) calculation results that corroborate these findings. Ultimately, these fundamental insights can be used to design electrode materials with both high energy and power densities.