Water Molecular Dynamics Research Articles

Local probing of the nanoscale hydration landscape of kaolinite basal facets in the presence of ions

The interface between aqueous solutions and the facets of kaolinite plays an important role in a wide range of technological applications including tribology, paper production, oil recovery, waste water treatment and medical devices. This is made possible by kaolinite's layered structure, with its two basal surfaces -aluminol and siloxane-exhibiting different properties and reactivity. Using a combination of high-resolution atomic force microscopy (AFM) and atomistic molecular dynamics (MD) simulations, we probe in situ the hydration structure over both facets, in water and in the presence of added NaCl. The AFM images reflect the facets' first hydration layer, as confirmed from simulations. Complementary AFM spectroscopy measurements show an excellent agreement between the conservative component and MD's water density profiles, with discrete hydration layers on both facets and little sensitivity to added ions. The dissipative component of the measured tip-sample interactions is more sensitive to the presence of ions, with MD suggesting a link with the local water dynamics and transient instabilities between stable hydration layers. These effects are facet-dependant and more pronounced on the aluminol facet where the first water layer is better defined. Increasing the salt concentration allows hydrated ions to form more stable layers, with hints of organised ionic domains. The results provide unique insights into both the equilibrium molecular structure and dynamics of the kaolinite facets, potentially informing applications involving interfacial processes.

Exploring the Functional Landscape of the p53 Regulatory Domain: The Stabilizing Role of Post-Translational Modifications.

This study focuses on the intrinsically disordered regulatory domain of p53 and the impact of post-translational modifications. Through fully atomistic explicit water molecular dynamics simulations, we show the wealth of information and detailed understanding that can be obtained by varying the number of phosphorylated amino acids and implementing a restriction in the conformational entropy of the N-termini of that intrinsically disordered region. The take-home message for the reader is to achieve a detailed understanding of the impact of phosphorylation with respect to (1) the conformational dynamics and flexibility, (2) structural effects, (3) protein interactivity, and (4) energy landscapes and conformational ensembles. Although our model system is the regulatory domain p53 of the tumor suppressor protein p53, this study contributes to understanding the general effects of intrinsically disordered phosphorylated proteins and the impact of phosphorylated groups, more specifically, how minor changes in the primary sequence can affect the properties mentioned above.

Influence of the Dielectric Constant on the Ionic Current Rectification of Bipolar Nanopores.

In this paper, we investigate how the dielectric constant, ϵ, of an electrolyte solvent influences the current rectification characteristics of bipolar nanopores. It is well recognized that bipolar nanopores with two oppositely charged regions rectify current when exposed to an alternating electric potential difference. Here, we consider dilute electrolytes with NaCl only and with a mixture of NaCl and charged nanoparticles. These systems are studied using two levels of description, all-atom explicit water molecular dynamics (MD) simulations and coarse-grained implicit solvent MD simulations. The charge density and electric potential profiles and current-voltage relationship predicted by the implicit solvent simulations with ϵ = 11.3 show good agreement with the predictions from the explicit water simulations. Under nonequilibrium conditions, the predictions of the implicit solvent simulations with a dielectric constant closer to the one of bulk water are significantly different from the predictions obtained with the explicit water model. These findings are closely aligned with experimental data on the dielectric constant of water when confined to nanometric spaces, which suggests that ϵ decreases significantly compared to its value in the bulk. Moreover, the largest electric current rectification is observed in systems containing nanoparticles when ϵ = 78.8. Using enhanced sampling, we have shown that this larger rectification arises from the presence of a significantly deeper minimum in the free energy of the system with a larger ϵ, and when a negative voltage bias is applied. Since implicit solvent models and mean-field continuum theories are often used to design Janus membranes based on bipolar nanopores, this work highlights the importance of properly accounting for the effects of confinement on the dielectric constant of the electrolyte solvent. The results presented here indicate that the dielectric constant in implicit solvent simulations may be used as an adjustable parameter to approximately account for the effects of nanometric confinement on aqueous electrolyte solvents.

Effect of caffeine on the aggregation of amyloid-β-A 3D RISM study.

Alzheimer's disease is a detrimental neurological disorder caused by the formation of amyloid fibrils due to the aggregation of amyloid-β peptide. The primary therapeutic approaches for treating Alzheimer's disease are targeted to prevent this amyloid fibril formation using potential inhibitor molecules. The discovery of such inhibitor molecules poses a formidable challenge to the design of anti-amyloid drugs. This study investigates the effect of caffeine on dimer formation of the full-length amyloid-β using a combined approach of all-atom, explicit water molecular dynamics simulations and the three-dimensional reference interaction site model theory. The change in the hydration free energy of amyloid-β dimer, with and without the inhibitor molecules, is calculated with respect to the monomeric amyloid-β, where the hydration free energy is decomposed into energetic and entropic components, respectively. Dimerization is accompanied by a positive change in the partial molar volume. Dimer formation is spontaneous, which implies a decrease in the hydration free energy. However, a reverse trend is observed for the dimer with inhibitor molecules. It is observed that the negatively charged residues primarily contribute for the formation of the amyloid-β dimer. A residue-wise decomposition reveals that hydration/dehydration of the side-chain atoms of the charged amino acid residues primarily contribute to dimerization.

Retrogradation-induced physicochemical changes in pre-cooked rice noodles stored at different temperatures: a viewpoint from water dynamics and structure.

There has been significant interest in pre-cooked noodles that have a long shelf life and are convenient to cook. However, the thermal processes during preparation, and their high moisture content, can lead to significant quality deterioration during storage. Nevertheless, a comprehensive evaluation of these quality losses has not yet been conducted. The effects of different storage temperatures (25, 4, and -20 °C) on the retrogradation-related physicochemical changes in pre-cooked rice noodles were elucidated mainly from the water dynamics and structural viewpoints. Thermal analysis demonstrated that amylopectin recrystallization took place in the noodles stored at refrigerated temperature, followed by room temperature. The refrigerated storage accelerated the starch retrogradation that caused the water molecules to become entrapped within the crystalline structure by lowering the water hydration properties and weighted T2 relaxation times of the pre-cooked noodles. These water mobility patterns were correlated with the textural changes in the noodles (greater hardness and Rmax /extensibility). Furthermore, the higher structural density and thickness derived from starch retrogradation were observed in the tomographic and microscopic images of the refrigerated noodles. The principal component analysis demonstrated that various physicochemical changes of the pre-cooked noodles during storage showed high correlations with the degree of starch retrogradation (r > 0.83). The physicochemical features of the precooked noodles stored under refrigerated conditions were involved in the molecular dynamics of water, showing a notable water mobility reduction derived from the starch retrogradation, which contributed to their thermal, tomographical, and textural changes. © 2023 Society of Chemical Industry.

MWCNTs Decorated with TiO2 as Highly Performing Filler in the Preparation of Nanocomposite Membranes for Scalable Photocatalytic Degradation of Bisphenol A in Water.

Bisphenol A (BPA), an endocrine-disrupting compound with estrogenic behavior, is of great concern within the scientific community due to its high production levels and increasing concentration in various surface aquifers. While several materials exhibit excellent capacity for the photocatalytic degradation of BPA, their powdered nature and poor chemical stability render them unsuitable for practical application in large-scale water decontamination. In this study, a new class of nanocomposite membranes based on sulfonated polyethersulfone (sPES) and multiwalled carbon nanotubes decorated with TiO2 nanoparticles (MWCNTs-TiO2) were investigated as efficient and scalable photocatalysts for the photodegradation of BPA in aqueous solutions. The MWCNTs-TiO2 hybrid material was prepared through a facile and inexpensive hydrothermal method and extensively characterized by XRD, Raman, FTIR, BET, and TGA. Meanwhile, nanocomposite membranes at different filler loadings were prepared by a simple casting procedure. Swelling tests and PFG NMR analyses provided insights into the impact of filler introduction on membrane hydrophilicity and water molecular dynamics, whereas the effectiveness of the various photocatalysts in BPA removal was monitored using HPLC. Among the different MWCNTs-TiO2 content nanocomposites, the one at 10 wt% loading (sP-MT10) showed the best photoactivity. Under UV irradiation at 254 nm and 365 nm for 240 min, photocatalytic oxidation of 5 mg/L bisphenol A by sP-MT10 resulted in 91% and 82% degradation, respectively. Both the effect of BPA concentration and the membrane regenerability were evaluated, revealing that the sP-MT10 maintained its maximum BPA removal capability over more than 10 cycles. Our findings indicate that sP-MT nanocomposite membranes are versatile, scalable, efficient, and highly reusable photocatalysts for the degradation of BPA, as well as potentially for other endocrine disruptors.

NMR Investigation of Water Molecular Dynamics in Sulfonated Polysulfone/Layered Double Hydroxide Composite Membranes for Proton Exchange Membrane Fuel Cells.

The development of nanocomposite membranes based on hydrocarbon polymers is emerging as one of the most promising strategies for overcoming the performance, cost, and safety limitations of Nafion, which is the current benchmark in proton exchange membranes for fuel cell applications. Among the various nanocomposite membranes, those based on sulfonated polysulfone (sPSU) and Layered Double Hydroxides (LDHs) hold promise regarding their successful utilization in practical applications due to their interesting electrochemical performance. This study aims to elucidate the effect of LDH introduction on the internal arrangement of water molecules in the hydrophilic clusters of sPSU and on its proton transport properties. Swelling tests, NMR characterization, and Electrochemical Impedance Spectroscopy (EIS) investigation allowed us to demonstrate that LDH platelets act as physical crosslinkers between -SO3H groups of adjacent polymer chains. This increases dimensional stability while simultaneously creating continuous paths for proton conduction. This feature, combined with its impressive water retention capability, allows sPSU to yield a proton conductivity of ca. 4 mS cm-1 at 90 °C and 20% RH.

Strange layer structure of dipolar spins formed on the spin-ice lattice

Monte Carlo simulations of dipolar spins on a spin-ice lattice were carried to explore the effect of the long-range interaction. The simulation with finite-range cutoff found formation of a layer-like structure, whereas that with Ewald found no layer. This feature characterized with the dipolar orientation and the distance-dependent Kirkwood factor GK(R) is consistent with that known for water molecular dynamics simulation. This correspondence found between the different systems of water and lattice spin will be important knowledge for understanding the relationship between the long-range interaction and the structure formation.

Analyzing the binding affinity of potential homodimers produced by the C55 portion of the amyloid precursor protein, a molecular dynamics study.

Alzheimer's disease is a neurodegenerative disease that affects millions of people in the United States alone. Agglomeration of amyloid beta (Aβ) peptides is a potential cause of the disease and the loss of mental acuity it induces. Aβ is created via the cleavage of the amyloid precursor protein (APP). When APP is cleaved, part of it—approximately the C99 fragment—remains in the lipid membrane, with its N-terminus being the Aβ peptide. The dimerization of C99 is theorized to limit its further cleavage and thereby limit the production of Aβ. However, this has yet to be proven experimentally. The first 55 residues of the C99 fragment (called C55) contains both the transmembrane domain and Aβ. In this work, we explored multiple potential conformations of C55 dimers (starting from the PDB ID 2LP1) and calculated their binding affinity to better understand the viability of homodimerization. The homodimer conformations were explored using both implicit and explicit water Molecular Dynamics simulations. We used an Extended Adaptive Biasing Force method to calculate the binding affinity of these dimers in a POPC lipid membrane. This methodology is characterized by the use of a continuously updated biasing force that cancels all force along a specified reaction coordinate and, in this way, enables uniform sampling on a flat free-energy surface. Applying this methodology using collective variables for root-mean-square deviation, spin, tilt, and Euclidean distance for both the bulk (monomer) and bound (dimer) states, we compute a binding affinity of roughly −4 kcal/mol for one of our dimer conformations. This lends in silica credence to the hypothesis that the dimerization of C55 limits the formation of Aβ, as the dimer appears energetically viable.

Aggregation propensities of proteins with varying degrees of disorder.

The hydration thermodynamics of a globular protein (AcP), three intrinsically disordered protein regions (1CD3, 1MVF, 1F0R) and a fully disordered protein (α-synuclein) is studied by an approach that combines an all-atom explicit water molecular dynamics simulations and three-dimensional reference interaction site model (3D-RISM) theory. The variation in hydration free energy with percentage disorder of the selected proteins is investigated through its nonelectrostatic and electrostatic components. A decrease in hydration free energy is observed with an increase in percentage disorder, indicating favorable interactions of the disordered proteins with the solvent. This confirms the role of percentage disorder in determining the aggregation propensity of proteins which is measured in terms of the hydration free energy in addition to their respective mean net charge and mean hydrophobicity. The hydration free energy is decoupled into energetic and entropic terms. A residue-wise decomposition analysis of the hydration free energy for the selected proteins is evaluated. The decomposition shows that the disordered regions contribute more than the ordered ones for the intrinsically disordered protein regions. The dominant role of electrostatic interactions is confirmed from the residue-wise decomposition of the hydration free energy. The results depict that the negatively charged residues contribute more to the total hydration free energy for the proteins with negative mean net charge, while the positively charged residues contribute more for proteins with positive mean net charge.

Water Molecular Dynamics in the Porous Structures of Ultrafiltration/Nanofiltration Asymmetric Cellulose Acetate–Silica Membranes

This study presents the characterization of water dynamics in cellulose acetate-silica asymmetric membranes with very different pore structures that are associated with a wide range of selective transport properties of ultrafiltration (UF) and nanofiltration (NF). By combining 1H NMR spectroscopy, diffusometry and relaxometry and considering that the spin-lattice relaxation rate of the studied systems is mainly determined by translational diffusion, individual rotations and rotations mediated by translational displacements, it was possible to assess the influence of the porous matrix's confinement on the degree of water ordering and dynamics and to correlate this with UF/NF permeation characteristics. In fact, the less permeable membranes, CA/SiO2-22, characterized by smaller pores induce significant orientational order to the water molecules close to/interacting with the membrane matrix's interface. Conversely, the model fitting analysis of the relaxometry results obtained for the more permeable sets of membranes, CA/SiO2-30 and CA/SiO2-34, did not evidence surface-induced orientational order, which might be explained by the reduced surface-to-volume ratio of the pores and consequent loss of sensitivity to the signal of surface-bound water. Comparing the findings with those of previous studies, it is clear that the fraction of more confined water molecules in the CA/SiO2-22-G20, CA/SiO2-30-G20 and CA/SiO2-34-G20 membranes of 0.83, 0.24 and 0.35, respectively, is in agreement with the obtained diffusion coefficients as well as with the pore sizes and hydraulic permeabilities of 3.5, 38 and 81 kg h-1 m-2 bar-1, respectively, reported in the literature. It was also possible to conclude that the post-treatment of the membranes with Triton X-100 surfactants produced no significant structural changes but increased the hydrophobic character of the surface, leading to higher diffusion coefficients, especially for systems associated with average smaller pore dimensions. Altogether, these findings evidence the potential of combining complementary NMR techniques to indirectly study hydrated asymmetric porous media, assess the influence of drying post-treatments on hybrid CA/SiO2 membrane' surface characteristics and discriminate between ultra- and nano-filtration membrane systems.

Capturing the Recognition Dynamics of para-Sulfonato-calix[4]arenes by Cytochrome c: Toward a Quantitative Free Energy Assessment.

Calix[n]arenes' selective recognition of protein surfaces covers a broad range of timely applications, from controlling protein assembly and crystallization to trapping partially disordered proteins. Here, the interaction of para-sulfonated calix-[4]-arenes with cytochrome c is investigated through all-atom, explicit water molecular dynamics simulations which allow characterization of two binding sites in quantitative agreement with experimental evidence. Free energy calculations based on the MM-PBSA and the attach-pull-release (APR) methods highlight key residues implicated in the recognition process and provide binding free energy results in quantitative agreement with isothermal titration calorimetry. Our study emphasizes the role of MD simulations to capture and describe the "walk" of sulfonated calix-[4]-arenes on the cytochrome c surface, with the arginine R13 as a pivotal interacting residue. Our MD investigation allows, through the quasi-harmonic multibasin (QHMB) method, probing an allosteric reinforcement of several per-residue interactions upon calixarene binding, which suggests a more complex mode of action of these supramolecular auxiliaries.

Pasta with Kiwiberry (Actinidia arguta): Effect on Structure, Quality, Consumer Acceptance, and Changes in Bioactivity during Thermal Treatment.

In this study, kiwiberry lyophilizate (KBL) was incorporated into pasta at different levels (5%, 10%, and 15% w/w). Kiwiberry fruits’ characteristics (ascorbic acid, carotenoids, phenolic compounds, and antioxidant activity determination) as well as physical (cooking properties, color, microscopic structure determination, texture, and water molecular dynamics analysis by low-field NMR) and chemical analyses (proximate composition phenolic compounds composition and antioxidant activity) of KBL-enriched pasta were investigated. The replacement of semolina with KBL in the production of pasta significantly changed its culinary properties. Results showed that the addition of KBL leads to a reduction in optimal cooking time and cooking weight (47.6% and 37.3%, respectively). Additionally, a significant effect of the KBL incorporation on the color of both fresh and cooked pasta was observed. A significant reduction in the L* value for fresh (27.8%) and cooked (20.2%) pasta was found. The KBL-enriched pasta had a different surface microstructure than the control pasta and reduced firmness (on average 44.7%). Low-field NMR results have confirmed that the ingredients in kiwiberry fruit can bind the water available in fresh pasta. The heat treatment resulted in increasing the availability of phenolic compounds and the antioxidant activity (64.7%) of cooked pasta. Sensory evaluation scores showed that the use of 5–10% of the KBL additive could be successfully accepted by consumers.

Exploration of Somatostatin Binding Mechanism to Somatostatin Receptor Subtype 4.

Somatostatin (also named as growth hormone-inhibiting hormone or somatotropin release-inhibiting factor) is a regulatory peptide important for the proper functioning of the endocrine system, local inflammatory reactions, mood and motor coordination, and behavioral responses to stress. Somatostatin exerts its effects via binding to G-protein-coupled somatostatin receptors of which the fourth subtype (SSTR4) is a particularly important receptor mediating analgesic, anti-inflammatory, and anti-depressant effects without endocrine actions. Thus, SSTR4 agonists are promising drug candidates. Although the knowledge of the atomic resolution-binding modes of SST would be essential for drug development, experimental elucidation of the structures of SSTR4 and its complexes is still awaiting. In the present study, structures of the somatostatin–SSTR4 complex were produced using an unbiased, blind docking approach. Beyond the static structures, the binding mechanism of SST was also elucidated in the explicit water molecular dynamics (MD) calculations, and key binding modes (external, intermediate, and internal) were distinguished. The most important residues on both receptor and SST sides were identified. An energetic comparison of SST binding to SSTR4 and 2 offered a residue-level explanation of receptor subtype selectivity. The calculated structures show good agreement with available experimental results and indicate that somatostatin binding is realized via prerequisite binding modes and an induced fit mechanism. The identified binding modes and the corresponding key residues provide useful information for future drug design targeting SSTR4.

Porous aromatic framework coated stir bar sorptive extraction coupled with gas chromatography for the analysis of 16 polycyclic aromatic hydrocarbons in atmospheric particles and environmental water samples

In this work, porous aromatic frameworks (PAFs) with different pore size were evaluated for simultaneous adsorption of 16 polycyclic aromatic hydrocarbons (PAHs) with large difference in polarity and molecular size. Two other porous organic polymers containing electron pushing/withdrawing group were investigated along for a comparison, and PAF-120 with the pore size of appr. 2.1 nm exhibited the highest extraction efficiency. Based on water contact angle and molecular dynamics simulation, the adsorption of 16 PAHs on PAF-120 was attributed to hydrophobic interaction, π-π interaction and molecular sieving effect. PAF-120/PDMS coated stir bar was then prepared by physical adhesion, and a method of stir bar sorptive extraction-gas chromatography-flame ionization detector was established for trace PAHs analysis in environmental samples. Under the optimal experimental conditions, the limits of detection (S/N = 3) for 16 PAHs were found to be in the range of 42-375 ng/L, with the relative standard deviations of 4.1-14.6% (n = 7). The enrichment factors varied from 31 (Indeno[1,2,3-cd]pyrene) to 80-fold (anthracene), with the maximal enrichment factor of 100-fold. The proposed method was applied to the analysis of PAHs in local environmental water and atmospheric particle samples. None of the 16 PAHs were detected in the collected water samples. While for the collected atmospheric particles, 12 PAHs were detected in fine particulate matter (PM2.5) within the range of 0.6-2.8 ng/m3. For inhalable particulate matter (PM10) and total suspended particulate matter (TSP), 16 PAHs were all detected in the range of 0.6-3.8 ng/m3 and 0.6-5.9 ng/m3, respectively. Quantitative recoveries were obtained in recovery test, demonstrating the accuracy and application potential of the proposed method.

Effect of Osmolytes on Water Mobility Correlates with Their Stabilizing Effect on Proteins.

There is a long, ongoing debate on how small molecules (osmolytes) affect the stability of proteins. The present study found that change in collective rotational dynamics of water in osmolyte solutions likely has a dominant effect on protein denaturation. According to THz spectroscopy analysis, osmolytes that stabilize proteins are accompanied by bound hydration water with slow dynamics, while the collective rotational dynamics of water is accelerated in the case of denaturant osmolytes. Among 15 osmolytes studied here, there is a good correlation between the change in mobility in terms of water rotational dynamics and the denaturation temperature of ribonuclease A. The changes in water dynamics due to osmolytes can be regarded as a pseudo-temperature-change, which agrees well with the change in protein denaturation temperature. These results indicate that the molecular dynamics of water around the protein is a key factor for protein denaturation.

Low-Field NMR Study of Shortcake Biscuits with Cricket Powder, and Their Nutritional and Physical Characteristics.

The growing human population renders challenges for the future supply of food products with high nutritional value. Here, we enhanced the functional and nutritional value of biscuits, a popular sweet snack, by replacing the wheat flour with 2%, 6%, or 10% (w/w) cricket powder. Consumer acceptance ratings for reference and 2% augmented cookies were comparable, whereas the higher levels of enhancement received inferior consumer scores. This relatively small change in biscuit recipe provided significant and nutritionally desirable enhancements in the biscuits, observed in a series of analyses. An increase in the protein content was observed, including essential amino acids, as well as minerals and fat. This conversion also affected the physical properties of the biscuits, including hardness, and water molecular dynamics measured by 1H NMR. Cricket powder-augmented biscuits join the line of enhanced, functionally superior food products. This and similar food augmentation provide a viable scenario to meet the human food demands in the future.

Synergism of dynamics of tetrahedral hydrogen bonds of liquid water

We used modified Arrhenius approximations to analyze known temperature dependences (TDs) of water microstructure parameters and its dielectric and dynamic characteristics. Analysis of activation energies showed a significant difference in the molecular dynamics of water in ranges 273–298 and 300–373 K. Features of TDs in the first range were associated with the dynamics of a metastable ice-like phase of water, in which hexagonal clusters with tetrahedral hydrogen bonds (HBs) predominate. Based on ratios of signs and values of activation energies of HBs' fluctuations and parameters of a microstructure, it was assumed that fluctuations of HBs' dipoles play a key role in the mechanism of resonant activation by a thermal energy of concertedly reactions of deformation, rupture, and formation of tetrahedral HBs in water clusters. Synergism of these reactions and interaction of charges of the vacant acceptor and donor tetrahedral orbitals of an oxygen atom trigger at 298 K an explosive transition of a metastable ice-like phase of water into an argon-like phase. Synergy of water dynamics above 298 K is adequately characterized by the product Dη, from which TDs follow the activation energies of reactions that determine the form of Stokes–Einstein relation in temperature ranges below and above 298 K point.

Versatility of Reverse Micelles: From Biomimetic Models to Nano (Bio)Sensor Design

This paper presents an overview of the principal structural and dynamics characteristics of reverse micelles (RMs) in order to highlight their structural flexibility and versatility, along with the possibility to modulate their parameters in a controlled manner. The multifunctionality in a large range of different scientific fields is exemplified in two distinct directions: a theoretical model for mimicry of the biological microenvironment and practical application in the field of nanotechnology and nano-based sensors. RMs represent a convenient experimental approach that limits the drawbacks of the conventionally biological studies in vitro, while the particular structure confers them the status of simplified mimics of cells by reproducing a complex supramolecular organization in an artificial system. The biological relevance of RMs is discussed in some particular cases referring to confinement and a crowded environment, as well as the molecular dynamics of water and a cell membrane structure. The use of RMs in a range of applications seems to be more promising due to their structural and compositional flexibility, high efficiency, and selectivity. Advances in nanotechnology are based on developing new methods of nanomaterial synthesis and deposition. This review highlights the advantages of using RMs in the synthesis of nanoparticles with specific properties and in nano (bio)sensor design.

LF NMR spectroscopy analysis of water dynamics and texture of Gluten-Free bread with cricket powder during storage.

The paper presents the effect of replacing starch (at 2%, 6% and 10%) with cricket powder (CP) on the water behavior studied by the 1H NMR method, as well as the texture of gluten-free bread during 6-day storage. It was noticed that the bread crumb containing CP has lower water transport rate than the control bread crumb, while concluding that 2% CP stabilizes water transport throughout the entire staling time range. The NMR analyzes showed that the initial T21 values are the higher, the more starch has been replaced with the CP, however, after 6 days of storage, all tested samples are characterized by similar values of the T21 parameter. A decrease in long component of spin-spin relaxation time T22 during storage was also observed. It has been noted that the replacement of starch to 2% and 6% CP causes an increase in the molecular dynamics of water. The less starch present, the greater the potential for bulk molecules to move. The observed changes at the molecular level resulted in macroscopic changes in the texture of the bread. After analyzing the hardness parameter of the tested breads, it was found that on the day of baking, bread without the addition of CP had significantly higher values of this parameter than breads with CP. For the sample without CP, the highest increase in total hardness change (123.93%) was noted during storage, which indicates the fastest texture change process. Based on the results obtained, it can be concluded that the use of cricket powder to enrich gluten-free bread can not only improve the nutritional value, but also effectively delay the process of bread staling.