Enhancing antibacterial properties by regulating valence configurations of copper: a focus on Cu-carboxyl chelates.

Optimizing the antibacterial effectiveness of copper ions while reducing environmental and cellular toxicity is essential for public health. A copper chelate, named PAI-Cu, is skillfully created using a specially designed carboxyl copolymer (a combination of acrylic and itaconic acids) with copper ions. PAI-Cu demonstrates a broad-spectrum antibacterial capability both in vitro and in vivo, without causing obvious cytotoxic effects. When compared to free copper ions, PAI-Cu displays markedly enhanced antibacterial potency, being about 35 times more effective against Escherichia coli and 16 times more effective against Staphylococcus aureus. Moreover, Gaussian and ab initio molecular dynamics (AIMD) analyses reveal that Cu+ ions can remain stable in the carboxyl compound's aqueous environment. Thus, the superior antibacterial performance of PAI-Cu largely stems from its modulation of copper ions between mono- and divalent states within the Cu-carboxyl chelates, especially via the carboxyl ligand. This modulation leads to the generation of reactive oxygen species (˙OH), which is pivotal in bacterial eradication. This research offers a cost-effective strategy for amplifying the antibacterial properties of Cu ions, paving new paths for utilizing copper ions in advanced antibacterial applications.

Zn2+ Binding Increases Parallel Structure in the Aß(16-22) Oligomer by Disrupting Salt Bridge in Antiparallel Structure.

The aggregation of monomeric amyloid ß protein (Aß) into oligomers and amyloid plaque in the brain is associated with Alzheimer's disease. The hydrophobic central core Aß16-22 has been widely studied due to its essential role in the fibrillization of full-length Aß peptides. Compared to the homogeneous antiparallel structure of Aß16-22 at the late stage, the early-stage prefibrillar aggregates contain varying proportions of different ß structures. In this work, we studied the appearance probabilities of various self-assembly structures of Aß16-22 and the effects of Zn2+ on these probabilities by replica exchange molecular dynamics simulations. It was found that at room temperature, Aß16-22 can readily form assembled ß-sheet structures in pure water, where a typical antiparallel arrangement dominates (24.8% of all sampled trimer structures). The addition of Zn2+ to the Aß16-22 solution will dramatically decrease the appearance probability of antiparallel trimer structures to 12.5% by disrupting the formation of the Lys16-Glu22 salt bridge. Meanwhile, the probabilities of hybrid antiparallel/parallel structures increase. Our simulation results not only reveal the competition between antiparallel and parallel structures in the Aß16-22 oligomers but also show that Zn2+ can affect the oligomer structures. The results also provide insights into the role of metal ions in the self-assembly of short peptides.

Simultaneously Suppressing the Coffee Ring Effect of Solutes with Different Sizes.

Suppressing the coffee ring effect (CRE), which improves the uniformity of deposition, has attracted great attention. Usually, a realistic system contains solutes of various sizes. Large particles preferentially settle onto the substrate under gravity, separated from small particles even when CRE is suppressed, which generates nonuniformity in another way. This hinders small particles from filling the gaps at the deposition-substrate interface, leaving a frail deposition. Here, the CRE of polydispersed solutes is simultaneously suppressed, and a more uniform deposition is achieved by suspending the drop together with adding trace amounts of cations. The gaps tend to be filled, which makes the deposition bind more tightly. Analysis shows that gravity coordinates with the interactions that mediate the attraction between particles and the substrate, resulting in the coinstantaneous adsorption of all particles. This work adds another dimension to the suppression of CRE, improving the uniformity of deposition in complex systems and paving the way for the development of techniques in diverse manufacturing industries.

Expanding the therapeutic potential of Salvia miltiorrhiza: a review of its pharmacological applications in musculoskeletal diseases.

Salvia miltiorrhiz, commonly known as "Danshen" in Chinese medicine, has longstanding history of application in cardiovascular and cerebrovascular diseases. Renowned for its diverse therapeutic properties, including promoting blood circulation, removing blood stasis, calming the mind, tonifying the blood, and benefiting the "Qi", recent studies have revealed its significant positive effects on bone metabolism. This potential has garnered attention for its promising role in treating musculoskeletal disorders. Consequently, there is a high anticipation for a comprehensive review of the potential of Salvia miltiorrhiza in the treatment of various musculoskeletal diseases, effectively introducing an established traditional Chinese medicine into a burgeoning field. AIM OF THE REVIEW: Musculoskeletal diseases (MSDs) present significant challenges to healthcare systems worldwide. Previous studies have demonstrated the high efficacy and prospects of Salvia miltiorrhiza and its active ingredients for treatment of MSDs. This review aims to illuminate the newfound applications of Salvia miltiorrhiza and its active ingredients in the treatment of various MSDs, effectively bridging the gap between an established medicine and an emerging field. METHODS: In this review, previous studies related to Salvia miltiorrhiza and its active ingredients on the treatment of MSD were collected, the specific active ingredients of Salvia miltiorrhiza were summarized, the effects of Salvia miltiorrhiza and its active ingredients for the treatment of MSDs, as well as their potential molecular mechanisms were reviewed and discussed. RESULTS: Based on previous publications, Salvianolic acid A, salvianolic acid B, tanshinone IIA are the representative active ingredients of Salvia miltiorrhiza. Their application has shown significant beneficial outcomes in osteoporosis, fractures, and arthritis. Salvia miltiorrhiza and its active ingredients protect against MSDs by regulating different signaling pathways, including ROS, Wnt, MAPK, and NF-κB signaling. CONCLUSION: Salvia miltiorrhiza and its active ingredients demonstrate promising potential for bone diseases and have been explored across a wide variety of MSDs. Further exploration of Salvia miltiorrhiza's pharmacological applications in MSDs holds great promise for advancing therapeutic interventions and improving the lives of patients suffering from these diseases.

Thermally Reduced Graphene Oxide Membranes Revealed Selective Adsorption of Gold Ions from Mixed Ionic Solutions.

The recovery of gold from water is an important research area. Recent reports have highlighted the ultrahigh capacity and selective extraction of gold from electronic waste using reduced graphene oxide (rGO). Here, we made a further attempt with the thermal rGO membranes and found that the thermal rGO membranes also had a similarly high adsorption efficiency (1.79 g gold per gram of rGO membranes at 1000 ppm). Furthermore, we paid special attention to the detailed selectivity between Au3+ and other ions by rGO membranes. The maximum adsorption capacity for Au3+ ions was about 16 times that of Cu2+ ions and 10 times that of Fe3+ ions in a mixture solution with equal proportions of Au3+/Cu2+ and Au3+/Fe3+. In a mixed-ion solution containing Au3+:Cu2+:Na+:Fe3+:Mg2+ of printed circuit board (PCB), the mass of Au3+:Cu2+:Na+:Fe3+:Mg2+ in rGO membranes is four orders of magnitude higher than the initial mass ratio. A theoretical analysis indicates that this selectivity may be attributed to the difference in the adsorption energy between the metal ions and the rGO membrane. The results are conducive to the usage of rGO membranes as adsorbents for Au capture from secondary metal resources in the industrial sector.

High-Yield Synthesis of Sodium Chlorides of Unconventional Stoichiometries.

Abnormal salt crystals with unconventional stoichiometries, such as Na2 Cl, Na3 Cl, K2 Cl, and CaCl crystals that have been explored in reduced graphene oxide membranes (rGOMs) or diamond anvil cells, hold great promise in applications due to their unique electronic, magnetic, and optical properties predicted in theory. However, the low content of these crystals, only <1% in rGOM, limits their research interest and utility in applications. Here, a high-yield synthesis of 2D abnormal crystals with unconventional stoichiometries is reported, which is achieved by applying negative potential on rGOM. A more than tenfold increase in the abnormal Na2 Cl crystals is obtained using a potential of -0.6 V, resulting in an atomic content of 13.4 ± 4.7% for Na on rGOM. Direct observations by transmission electron microscopy and piezoresponse force microscopy demonstrates a unique piezoelectric behavior arising from 2D Na2 Cl crystals with square structure. The output voltage increases from 0 to ≈180 mV in the broad 0-150° bending angle regime, which meets the voltage requirement of most nanodevices in realistic applications. Density functional theory calculations reveal that the applied negative potential of the graphene surface can strengthen the effect of the Na+ -π interaction and reduce the electrostatic repulsion between cations, making more Na2 Cl crystals formed.

Metformin attenuates diabetes-induced osteopenia in rats is associated with down-regulation of the RAGE-JAK2-STAT1 signal axis.

Background: Osteopenia and fragile fractures are diabetes-associated complications. Many hypoglycemic drugs have effects on bone metabolism. Metformin, as is a prescribed medication for type 2 diabetes mellitus (T2DM), had been reported to have osteoprotective effects beyond its hypoglycemic effect, however the potential mechanism behind these effects remains unclear. In this study, we aimed to investigate the comprehensive effects of metformin on bone metabolism in T2DM rat model and elucidate the potential mechanism. Methods: Goto-Kakizaki spontaneous T2DM rats with significant hyperglycemia were treated with/without metformin for 20 weeks. Glucose tolerance was tested and all rats were weighed every two weeks. The osteoprotective effects of metformin in diabetic rats were determined by quantifying serum bone biomarkers, µ-CT imaging, histological staining, bone histomorphometry, and biomechanical properties analyses. Potential targets of metformin in the treatment of T2DM and osteoporosis were predicted using network pharmacology. The effects of metformin on mesenchymal stem cells (C3H10) cultured in high glucose medium were evaluated by CCK-8 assay, alkaline phosphatase (ALP) staining, qPCR and western blotting. Results: This study demonstrated that metformin significantly attenuated osteopenia, decreased serum glucose and glycated serum protein (GSP) levels, improved bone microarchitecture, and biomechanical properties in GK rats with T2DM. Metformin significantly increased biomarkers of bone formation, and significantly decreased muscle ubiquitin C (Ubc) expression. Network pharmacology analysis found that signal transducer and activator of transcription1 (STAT1) would be a potential target of metformin for regulating bone metabolism. Metformin increased C3H10 â€‹cell viability in vitro, alleviated ALP inhibition caused by hyperglycemia, increased the osteogenic gene expression of runt-related transcription factor 2 (RUNX2), collagen type I alpha 1 (Col1a1), osteocalcin (OCN), and ALP, while suppressing RAGE and STAT1 expression. Metformin also increased the protein expression of Osterix and decreased that of RAGE, p-JAK2, and p-STAT1. Conclusions: Our results demonstrate that metformin attenuated osteopenia and improved bone microarchitecture in GK rats with T2DM and significantly promoted stem cell osteogenic differentiation under high glucose condition. The effects of metformin on bone metabolism are closely associated with the suppression of RAGE-JAK2-STAT1 signaling axis. The translational potential of this article: Our research provides experiment evidence and potential mechanistic rationale for the use of metformin as an effective candidate for diabetes-induced osteopenia treatment.

Run-and-Tumble Dynamics and Mechanotaxis Discovered in Microglial Migration.

Microglia are resident macrophage cells in the central nervous system that search for pathogens or abnormal neural activities and migrate to resolve the issues. The effective search and targeted motion of macrophages mean dearly to maintaining a healthy brain, yet little is known about their migration dynamics. In this work, we study microglial motion with and without the presence of external mechanostimuli. We discover that the cells are promptly attracted by the applied forces (i.e., mechanotaxis), which is a tactic behavior as yet unconfirmed in microglia. Meanwhile, in both the explorative and the targeted migration, microglia display dynamics that is strikingly analogous to bacterial run-and-tumble motion. A closer examination reveals that microglial run-and-tumble is more sophisticated, e.g., they display a short-term memory when tumbling and rely on active steering during runs to achieve mechanotaxis, probably via the responses of mechanosensitive ion channels. These differences reflect the sharp contrast between microglia and bacteria cells (eukaryotes vs. prokaryotes) and their environments (compact tissue vs. fluid). Further analyses suggest that the reported migration dynamics has an optimal search efficiency and is shared among a subset of immune cells (human monocyte and macrophage). This work reveals a fruitful analogy between the locomotion of 2 remote systems and provides a framework for studying immune cells exploring complex environments.

Unexpectedly efficient ion desorption of graphene-based materials.

Ion desorption is extremely challenging for adsorbents with superior performance, and widely used conventional desorption methods involve high acid or base concentrations and large consumption of reagents. Here, we experimentally demonstrate the rapid and efficient desorption of ions on magnetite-graphene oxide (M-GO) by adding low amounts of Al3+. The corresponding concentration of Al3+ used is reduced by at least a factor 250 compared to conventional desorption method. The desorption rate reaches ~97.0% for the typical radioactive and bivalent ions Co2+, Mn2+, and Sr2+ within ~1 min. We achieve effective enrichment of radioactive 60Co and reduce the volume of concentrated 60Co solution by approximately 10 times compared to the initial solution. The M-GO can be recycled and reused easily without compromising its adsorption efficiency and magnetic performance, based on the unique hydration anionic species of Al3+ under alkaline conditions. Density functional theory calculations show that the interaction of graphene with Al3+ is stronger than with divalent ions, and that the adsorption probability of Al3+ is superior than that of Co2+, Mn2+, and Sr2+ ions. This suggests that the proposed method could be used to enrich a wider range of ions in the fields of energy, biology, environmental technology, and materials science.

Attitude and influencing factors of patients with schizophrenia toward long-acting injections: A community-based cross-sectional investigation in China.

Background: Low prescription rates of antipsychotic long-acting injections (LAIs) may be a major challenge in the prevention and treatment of schizophrenia. However, there are few studies on the usage and attitude toward LAIs among community-based patients with schizophrenia. Methods: A large community-based cross-sectional investigation was conducted among 6,336 patients with schizophrenia from Shanghai, China from March 1 to June 30, 2021. The structured Attitude and Status toward Treatment of Community Patients with Schizophrenia Questionnaire (AST-CSQ) was used to investigate the attitude and influencing factors of community-dwelling patients with schizophrenia toward LAIs. Results: Among the 6,336 participants, the average age was 49.28 ± 11.23. The rate of agreement to LAI antipsychotics among participants was 3.16% (n = 200). The family financial resources, care ability, and disease course of the LAIs group were less than those of the non-LAIs group. However, the LAIs group had higher immediate family guardianship, social activity, previous hospitalization, number of hospitalization, outpatient adherence, previous antipsychotic use, antipsychotic adherence, and attitude toward oral antipsychotics than the non-LAIs group, with significant differences between the two groups (p < 0.05). Furthermore, age (ß = -0.036, OR 0.964, 95% CI 0.947-0.982), marital status (ß = 0.237, OR 1.267, 95% CI 1.002-1.602), care ability (ß = 0.709, OR 2.032, 95% CI 1.437-2.875), outpatient adherence (ß = -0.674, OR 0.510, 95% CI 0.358-0.725), antipsychotic adherence (ß = 0.920, OR 2.509, 95% CI 1.092-5.764), and attitude toward oral antipsychotics (ß = -1.357, OR 0.258, 95% CI 0.103-0.646) were significant predictors of attitude toward LAI antipsychotics (p < 0.05). Conclusions: The community-dwelling patients with schizophrenia in China had a low willingness to use LAIs. Patients of a younger age, more hospitalizations, and a shorter course of disease were prone to be more willing to accept LAIs. The patients' age, marital status, care ability, outpatient adherence, antipsychotic adherence, and attitude toward oral antipsychotics were important predictor of patients' attitudes toward LAIs. Under the global deinstitutionalized management model of mental disorders, these results highlight an urgent problems for public mental health service providers and policy-makers and provide more solutions for them.

Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?

The lack of understanding of the molecular-scale water adsorbed on TiO2 surfaces under ambient conditions has become a major obstacle for solving the long-time scientific and applications issues, such as the photo-induced wetting phenomenon and designing novel advanced TiO2-based materials. Here, with the molecular dynamics simulation, we identified an ordered water bilayer structure with a two-dimensional hydrogen bonding network on a rutile TiO2(110) surface at ambient temperature, corroborated by vibrational sum-frequency generation spectroscopy. The reduced number of hydrogen bonds between the water bilayer and water droplet results in a notable water contact angle (25 ± 5°) of the pristine TiO2 surface. This surface hydrophobicity can be enhanced by the adsorption of the formate/acetate molecules, and diminishes with dissociated H2O molecules. Our new physical framework well explained the long-time controversy on the origin of the hydrophobicity/hydrophilicity of the TiO2 surface, thus help understanding the efficiency of TiO2 devices in producing electrical energy of solar cells and the photo-oxidation of organic pollutants.

Unexpected hygroscopic behaviors of individual sub-50 nm NaNO3 nanoparticles observed by in situ atomic force microscopy.

Hygroscopicity is one of the most important physicochemical properties of salt nanoparticles, greatly influencing the environment, climate and human health. However, the hygroscopic properties of salt nanoparticles are poorly understood owing to the great challenges of the preparation, preservation and in situ characterization. Here we show the unexpected shape- and size-dependent hygroscopic behaviors of NaNO3 nanoparticles prepared from molten salts using in situ environment-controlled atomic force microscopy. During the humidifying process, the angular and round sub-50 nm NaNO3 particles display anisotropic and isotropic water adsorption behaviors, respectively. The sub-10 nm NaNO3 nanoparticles abnormally shrink and disappear. The growth factors of the NaNO3 nanoparticles are highly sensitive to their sizes and shapes, and quite different from those of NaNO3 microparticles. These findings show that the hygroscopic behaviors of salt nanoparticles may not be comprehensively described by the traditional growth factors, and open up a new pathway to study the hygroscopic behaviors of salt nanoparticles.

Copper functionalized poly (acrylic acid-co-itaconic acid) nanohydrogel: Its antibacterial properties on oral pathogens and biocompatibility.

Although extensive efforts have been made to explore effective antibiotics, the development of antibiotics lags far behind the emergence of drug-resistant bacteria. Antimicrobial materials as an alternative strategy provide effective functions in aiding in relieving the dose of antibiotics. Herein, we report a novel antibacterial agent with high antibacterial effectivity and low toxicity, which is simply composed of a trace amount of Cu2+ ion and nanoscale biocompatible polymer poly (acrylic acid-co-itaconic acid) (PAI-Cu). The polymer shows greatly enhanced antibacterial activity against various Gram-positive and Gram-negative pathogens compared with equal concentrations of copper ion solution, yet shows nearly no toxicity towards human cells. The antibacterial performance and mechanism of copper ionized polymer hydrogel are evaluated in terms of multiple methods, towards various oral bacteria including Streptococcus mutans, Enterococcus faecalis, Lactobacillus acidophilus, Actinomycetes viscosus, Porphyromonas gingivalis, Fusobacterium nucleatum, Aggregatibacter actinomycetemcomitans, and Prevotella intermedia. Bacterial cell membrane and wall damage caused by PAI-Cu nanohydrogel should be regarded as an important antibacterial mechanism. Moreover, PAI-Cu nanohydrogel, as the role of catalytic active center, can activate the surrounding oxygen, and generate hydroxyl radical (·OH), which can destroy the proliferation ability of microbial cells. We suggest that PAI-Cu nanohydrogel is a promising antibacterial agent against dental pathogens and beyond.

Size-Dependent Spontaneous Separation of Colloidal Particles in Sub-Microliter Suspension by Cations.

Great efforts have been made to separate micro/nanoparticles in small-volume specimens, but it is a challenge to achieve the simple, maneuverable and low-cost separation of sub-microliter suspension with large separation distances. By simply adding trace amounts of cations (Mg2+/Ca2+/Na+), we experimentally achieved the size-dependent spontaneous separation of colloidal particles in an evaporating droplet with a volume down to 0.2 µL. The separation distance was at a millimeter level, benefiting the subsequent processing of the specimen. Within only three separating cycles, the mass ratio between particles with diameters of 1.0 µm and 0.1 µm can be effectively increased to 13 times of its initial value. A theoretical analysis indicates that this spontaneous separation is attributed to the size-dependent adsorption between the colloidal particles and the aromatic substrate due to the strong hydrated cation-π interactions.

Solid-liquid-gas reaction accelerated by gas molecule tunnelling-like effect.

Solid-liquid-gas reactions are ubiquitous and are encountered in both nature and industrial processes1-4. A comprehensive description of gas transport in liquid and following reactions at the solid-liquid-gas interface, which is substantial in regard to achieving enhanced triple-phase reactions, remains unavailable. Here, we report a real-time observation of the accelerated etching of gold nanorods with oxygen nanobubbles in aqueous hydrobromic acid using liquid-cell transmission electron microscopy. Our observations reveal that when an oxygen nanobubble is close to a nanorod below the critical distance (~1 nm), the local etching rate is significantly enhanced by over one order of magnitude. Molecular dynamics simulation results show that the strong attractive van der Waals interaction between the gold nanorod and oxygen molecules facilitates the transport of oxygen through the thin liquid layer to the gold surface and thus plays a crucial role in increasing the etching rate. This result sheds light on the rational design of solid-liquid-gas reactions for enhanced activities.

Enhancement of the Water Affinity of Histidine by Zinc and Copper Ions.

Histidine (His) is widely involved in the structure and function of biomolecules. Transition-metal ions, such as Zn2+ and Cu2+, widely exist in biological environments, and they are crucial to many life-sustaining physiological processes. Herein, by employing density function calculations, we theoretically show that the water affinity of His can be enhanced by the strong cation-π interaction between His and Zn2+ and Cu2+. Further, the solubility of His is experimentally demonstrated to be greatly enhanced in ZnCl2 and CuCl2 solutions. The existence of cation-π interaction is demonstrated by fluorescence, ultraviolet (UV) spectroscopy and nuclear magnetic resonance (NMR) experiments. These findings are of great importance for the bioavailability of aromatic drugs and provide new insight for understanding the physiological functions of transition metal ions.

Revisit the Hydrated Cation-π Interaction at the Interface: A New View of Dynamics and Statistics.

Carbon-based matter, such as biomolecules and graphitic structures, often form a liquid-solid/soft matter interface in salt solution and continuously affect the surrounding cations through hydrated cation-π interactions. In this Perspective, we revisit the effect of the hydrated cation-π interactions at the interface using statistical physics, which reveals how hydrated cation-π interactions affect every component dynamically and cause a time-dependent statistical effect at the liquid-solid/soft interface. We also highlight several pieces of experimental evidence from a statistical perspective and discuss the remarkable applications related to environmental protection, industrial manufacturing, and biological sciences.

Fast Reduced Graphene-Based Membranes with High Desalination Performance.

Graphene-oxide (GO) membrane with notable ions sieving properties has attracted significant attention for many applications. However, because of the water swelling of GO membrane, the rejection of monovalent metal cations is generally low. In this work, we developed a fast and facile method to fabricate a kind of reduced GO membranes using the thermal treatment method at 160 °C for only one minute, which denoted as fast reduced GO membrane (FRGO). Surprising, the FRGO membrane represents high ion sieving ability and ultrahigh water/ions selectivity, compared with other reduced GO membranes with similar average interlayer spacings, and even superior to most of GO-based membranes reported in literature. Building on these findings, we provide a new light on fabricating of energy- and environment-related high desalination performance of GO-based membranes as well as a new insight into the transport mechanism within 2D laminar nanochannels.

Novel 2D CaCl crystals with metallicity, room-temperature ferromagnetism, heterojunction, piezoelectricity-like property and monovalent calcium ions.

Under ambient conditions, the only known valence state of calcium ions is +2, and the corresponding crystals with calcium ions are insulating and nonferromagnetic. Here, using cryo-electron microscopy, we report direct observation of two-dimensional (2D) CaCl crystals on reduced graphene oxide (rGO) membranes, in which the calcium ions are only monovalent (i.e. +1). Remarkably, metallic rather than insulating properties are displayed by those CaCl crystals. More interestingly, room-temperature ferromagnetism, graphene-CaCl heterojunction, coexistence of piezoelectricity-like property and metallicity, as well as the distinct hydrogen storage and release capability of the CaCl crystals in rGO membranes are experimentally demonstrated. We note that such CaCl crystals are obtained by simply incubating rGO membranes in salt solutions below the saturated concentration, under ambient conditions. Theoretical studies suggest that the formation of those abnormal crystals is attributed to the strong cation-π interactions of the Ca cations with the aromatic rings in the graphene surfaces. The findings highlight the realistic potential applications of such abnormal CaCl material with unusual electronic properties in designing novel transistors and magnetic devices, hydrogen storage, catalyzers, high-performance conducting electrodes and sensors, with a size down to atomic scale.

Hydrated cation-π interactions of π-electrons with hydrated Li+, Na+, and K+ cations.

Cation-π interactions are essential for many chemical, biological, and material processes, and these processes usually involve an aqueous salt solution. However, there is still a lack of a full understanding of the hydrated cation-π interactions between the hydrated cations and the aromatic ring structures on the molecular level. Here, we report a molecular picture of hydrated cation-π interactions, by using the calculations of density functional theory (DFT). Specifically, the graphene sheet can distort the hydration shell of the hydrated K+ to interact with K+ directly, which is hereafter called water-cation-π interactions. In contrast, the hydration shell of the hydrated Li+ is quite stable and the graphene sheet interacts with Li+ indirectly, mediated by water molecules, which we hereafter call the cation-water-π interactions. The behavior of hydrated cations adsorbed on a graphene surface is mainly attributed to the competition between the cation-π interactions and hydration effects. These findings provide valuable details of the structures and the adsorption energy of hydrated cations adsorbed onto the graphene surface.