Design and characterization of neutral linker-based bis-intercalator via computer simulations: Balancing DNA binding and cellular uptake.

Bis-intercalators play a significant role in altering the DNA structure, affecting its stability, and potentially influencing various cellular processes. These compounds have gained considerable attention in medicinal chemistry and biochemistry due to their potential applications in cancer therapy, where they may interfere with DNA replication and transcription, leading to anticancer effects. Traditionally, these molecules often possess a high positive charge to enhance their affinity for the negatively charged DNA. However, due to a high positive charge, their cellular uptake is compromised, along with their enhanced potential off-target effects. In this study, we utilized bis-intercalator TOTO and replaced the charged linker segment (propane-1,3-diammonium) with a neutral peroxodisulphuric acid linker. Using molecular modeling and computer simulations (500 ns, 3 replicas), we investigated the potential of the designed molecule as a bis-intercalator and compared the properties with the control bis-intercalator bound to DNA. We observed that the designed bis-intercalator exhibited improved DNA binding (as assessed through MM-PBSA and Delphi methods) and membrane translocation permeability. With an overall reduced charge, significantly less off-target binding of the designed molecule is also anticipated. Consequently, bis-intercalators based on peroxodisulphuric linkers can potentially target DNA effectively, and their role in the future design of bis-intercalators is foreseen.

The efficiency of mycotoxin binding by sorbents in the in vitro model using a naturally contaminated animal feed.

Introduction: The productivity of domestic animals and the safety of food products derived from them are jeopardised by mycotoxins in animal feed. To control them, feed additives are used, which limit the absorption of mycotoxins in the gastrointestinal tract of animals by binding to them. The study aimed to evaluate the effectiveness of a new in vitro model in experiments on the binding of mycotoxins from buffers and contaminated feed and to confirm the effect of a single sorbent or mixture in binding them. Material and Methods: Nine mineral sorbents were tested for their efficiency binding eight mycotoxins. Two in vitro experiments were conducted to indicate the mycotoxin-binding capacity of sorbents, each specifying a buffer with one of two different pH levels reflecting gastrointestinal conditions (pH 3.5 and 7.0). The first investigated the sorbent with only the buffer and mycotoxin standards, while the second did so with the sorbent, buffer and feed naturally contaminated with mycotoxins (deoxynivalenol, zearalenone, and ochratoxin A). Results: The sorption was significantly lower in the trial with feed. In the first experiment at gastric pH (pH 3.5), activated charcoal bound deoxynivalenol and sepiolite bound zearalenone at 70% and 96%, respectively, whereas in the second experiment with feed, the binding was only 3% and 6%. Conclusion: The study underlines the challenge of finding a feed additive that would work comprehensively, binding all mycotoxins regulated by law.

Hyperphosphatemia in Chronic Kidney Disease: The Search for New Treatment Paradigms and the Role of Tenapanor.

Hyperphosphataemia represents a significant challenge in the management of chronic kidney disease, exerting a pronounced influence on the pathogenesis of cardiovascular complications and mineral bone disorders. Traditional approaches to address hyperphosphataemia involve implementing dietary phosphate restrictions, administering phosphate binders, and, in cases of end-stage renal disease, resorting to dialysis. Unfortunately, these interventions frequently prove inadequate in maintaining phosphate levels within recommended ranges. Additionally, commonly employed pharmacological agents are not immune to eliciting adverse events, thereby limiting their prescription and therapeutic adherence. There is a growing focus on exploring novel therapeutic strategies in this context. The current discussion centres on tenapanor, a pharmacological agent predominantly acting as a selective inhibitor of sodium/hydrogen exchanger isoform 3 (NHE3). Its mechanism of action involves modulating tight junctions, resulting in reduced sodium absorption and intestinal paracellular permeability to phosphate. Furthermore, tenapanor downregulates sodium-dependent phosphate 2b transport protein (NaPi2b) expression, thereby impeding active transcellular phosphate transport. Clinical trials have elucidated the efficacy and safety profile of tenapanor. This evidence hints at a potential paradigm shift in the management of hyperphosphataemia. However, the burgeoning optimism surrounding tenapanor warrants tempered enthusiasm, as further research remains indispensable. The imperative lies in meticulously delineating its efficacy and safety contours within the crucible of clinical practice. In this review, we synthesize the intricate interplay between hyperphosphataemia and Chronic Kidney Disease-Mineral Bone Disorder, and we discuss the existing pharmacological interventions for hyperphosphataemia and explore emerging treatment paradigms that offer novel perspectives in managing elevated phosphate levels in CKD patients.

Bio-Inspired Fluorescent Calcium Sulfate for the Conservation of Gypsum Plasterwork.

In this work, the potential of bio-inspired strategies for the synthesis of calcium sulfate (CaSO4·nH2O) materials for heritage conservation is explored. For this, a nonclassical multi-step crystallization mechanism to understand the effect of calcein- a fluorescent chelating agent with a high affinity for divalent cations- on the nucleation and growth of calcium sulfate phases is proposed. Moving from the nano- to the macro-scale, this strategy sets the basis for the design and production of fluorescent nano-bassanite (NB-C; CaSO4·0.5H2O), with application as a fully compatible consolidant for the conservation of historic plasterwork. Once applied to gypsum (CaSO4·2H2O) plaster specimens, cementation upon hydration of nano-bassanite results in a significant increase in mechanical strength, while intracrystalline occlusion of calcein in newly-formed gypsum cement improves its weathering resistance. Furthermore, under UV irradiation, the luminescence produced by calcein molecules occluded in gypsum crystals formed upon nano-bassanite hydration allows the easy identification of the newly deposited consolidant within the treated gypsum plaster without altering the substrate's appearance.

Protein Binder Toolbox for Studies of Solute Carrier Transporters.

Transporters of the solute carrier superfamily (SLCs) are responsible for the transmembrane traffic of the majority of chemical substances in cells and tissues and are therefore of fundamental biological importance. As is often the case with membrane proteins that can be heavily glycosylated, a lack of reliable high-affinity binders hinders their functional analysis. Purifying and reconstituting transmembrane proteins in their lipidic environments remains challenging and standard approaches to generate binders for multi-transmembrane proteins, such as SLCs, channels or G protein-coupled receptors (GPCRs) are lacking. While generating protein binders to 27 SLCs, we produced full length protein or cell lines as input material for binder generation by selected binder generation platforms. As a result, we obtained 525 binders for 22 SLCs. We validated the binders with a cell-based validation workflow using immunofluorescent and immunoprecipitation methods to process all obtained binders. Finally, we demonstrated the potential applications of the binders that passed our validation pipeline in structural, biochemical, and biological applications using the exemplary protein SLC12A6, an ion transporter relevant in human disease. With this work, we were able to generate easily renewable and highly specific binders against SLCs, which will greatly facilitate the study of this neglected protein family. We hope that the process will serve as blueprint for the generation of binders against the entire superfamily of SLC transporters.

Material and Microstructure Analysis of Wood Color Paintings from Shaanxi Cangjie Temple, China.

Cangjie Temple was built to commemorate Cangjie, the legendary inventor of Chinese characters. It stands as one of the few remaining temples in China dedicated to the invention and creation of writing. In this study, the material properties of wooden paintings from the Cangjie temple were characterized using Polarized Light Microscopy (PLM), Scanning Electron Microscopy coupled with Energy Dispersive X-ray Spectroscopy (SEM-EDS), Micro-confocal Raman Spectroscopy, X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and Pyrolysis-Gas Chromatography-Mass Spectrometry (Py-GC/MS). It was confirmed that the pigments of the paintings included cinnabar, lapis lazuli, lead white, Paris green, and carbon black. The proteinaceous glue was used as an adhesive in the pigment samples, with tung oil likely being utilized as a primer for the wooden structures before painting. This study not only provides valuable data support for the conservation and restoration of the architectural features of Cangjie Temple but also provides useful reference for the maintenance and inheritance of similar ancient buildings.

Spectroscopic, biochemical and computational studies of bioactive DNA minor groove binders targeting 5'-WGWWCW-3' motif.

Spectroscopic, biochemical, and computational modelling studies have been used to assess the binding capability of a set of minor groove binding (MGB) ligands against the self-complementary DNA sequences 5'-d(CGCACTAGTGCG)-3' and 5'-d(CGCAGTACTGCG)-3'. The ligands were carefully designed to target the DNA response element, 5'-WGWWCW-3', the binding site for several nuclear receptors. Basic 1D 1H NMR spectra of the DNA samples prepared with three MGB ligands show subtle variations suggestive of how each ligand associates with the double helical structure of both DNA sequences. The variations among the investigated ligands were reflected in the line shape and intensity of 1D 1H and 31P-{1H} NMR spectra. Rapid visual inspection of these 1D NMR spectra proves to be beneficial in providing valuable insights on MGB binding molecules. The NMR results were consistent with the findings from both UV DNA denaturation and molecular modelling studies. Both the NMR spectroscopic and computational analyses indicate that the investigated ligands bind to the minor grooves as antiparallel side-by-side dimers in a head-to-tail fashion. Moreover, comparisons with results from biochemical studies offered valuable insights into the mechanism of action, and antitumor activity of MGBs in relation to their structures, essential pre-requisites for future optimization of MGBs as therapeutic agents.

Eco-Friendly Inorganic Binders: A Key Alternative for Reducing Harmful Emissions in Molding and Core-Making Technologies.

Many years of foundry practice and much more accurate analytical methods have shown that sands with organic binders, in addition to their many technological advantages, pose risks associated with the emission of many compounds, including harmful ones (e.g., formaldehyde, phenol, benzene, polycyclic aromatic hydrocarbons, and sulfur), arising during the pouring of liquid casting alloys into molds, their cooling, and knock-out. The aim of this research is to demonstrate the potential benefits of adopting inorganic binders in European iron foundries. This will improve the environmental and working conditions by introducing cleaner and more ecological production methods, while also ranking the tested binders studied in terms of their harmful content. The article pays special attention to the analysis of seven innovative inorganic binders and one organic binder, acting as a reference for emissions of gases from the BTEX (benzene, toluene, ethylbenzene, and xylenes) and PAHs (polycyclic aromatic hydrocarbons) groups and other compounds such as phenol, formaldehyde, and isocyanates (MDI and TDI) generated during the mold pouring process with liquid metals. The knowledge gained will, for the first time, enrich the database needed to update the Reference Document on The Best Available Techniques for the Smitheries and Foundries Industry (SF BREF).

Durability of bitumen binder reinforced with polymer additives: Towards upgrading Nigerian local bitumen.

One of the major obstacles to Nigeria's techno-economic development has been a lack of good road infrastructure. Despite a large deposit of natural bitumen in the form of semi-liquid and bitumen sand, the reliance on imported bitumen/asphalt for road construction and maintenance in Nigeria has reduced road coverage and quality. To use local bitumen as a binder in pavement construction, an efficient upgrading process is required using polymers, nanomaterials, and other chemical additives. However, the selection of an appropriate modifier depends on many factors including the origin, elemental and chemical composition of bitumen. This review presents vital properties of Nigerian bitumen extracted from oil wells and tar sands with the view to identifying potential additives as solutions for its upgrading. Based on predefined selection criteria, we conducted a systematic review of the literature. We gathered information on the current state of knowledge about the major issues encountered during the polymeric modification of bitumen. In addition, data on existing practices used by various road researchers to address such issues was gathered. Effort was made to review waste packaging polymers and plastics for possible utilization to ensure sustainable pavement infrastructure in Nigeria. The results of this review showed relatively little information on Nigerian bitumen upgrading. Many authors have investigated different polymer additives on asphaltic bitumen sourced from different countries and the results has pointed to the capability of polymeric modification to improve some of the properties of bitumen. A knowledge gap however, exists in the optimization of polymer dosage, and characterization of bitumen at the SARA level to aid the understanding of the effects of polymeric modification and mechanisms involved during the pavement degradation. Additionally, it has been challenging to generalize the effects of different polymers due to the variation of bitumen properties from different sources. This review identifies the potential for upgrading Nigerian bitumen using polymer additives, the potential of waste plastics, crumb rubbers, and packaging waste materials as alternative and sustainable additives also highlighted.

Recycling of Industrial Waste as Soil Binding Additives-Effects on Soil Mechanical and Hydraulic Properties during Its Stabilisation before Road Construction.

To improve the in situ soil stabilization, different chemical additives are used (ion exchange compounds, additives based on H2SO4 or vinyl polymers, and organic additives using lignosulfonates). One interesting alternative is the production of additives from various waste materials. The extensive testing of waste-based blends with soil was performed; the mechanical (unconfined compressive strength (UCS)) and hydraulic (capillary rise, water absorption, and frost resistance (FR)) soil properties were measured. The optimization process led to obtaining additive compositions ensuring high strength and sealing properties: by-pass ash from the ceramics industry, waste H2SO4, pyrolytic waxes/oils from waste mixed plastics, waste tires and HDPE, and emulsion from chewing gum waste. For sandy soil, the following additives were the most promising: emulsion from pyrolytic wax (EPW) from waste PE foil (WPEF) with the addition of waste H2SO4, pyrolytic-oil emulsion from waste tires, EPW from waste mixed plastics with the addition of "by-pass" waste ash and NaOH, EPW from WPEF with the addition of NaOH, and EPW from WPEF reaching up to 93% FR, a 79.6% 7-day UCS increase, and a 27.6% of 28-day UCS increase. For clay: EPW from WPEF with the addition of NaOH, EPW from WPEF with the addition of waste H2SO4, and solely EPW from WPEF reaching up to 7.5% FR, an 80.7% 7-day UCS increase, and a 119.1% 28-day UCS increase.

A Study on the Materials Used in Ancient Wooden Architectural Paintings at DaZhong Gate in Confucius Temple, Qufu, Shandong, China.

This study analyzes the pigments and binders used in the painted wooden structure of DaZhong Gate in the Confucius Temple in Qufu, Shandong Province, China. Five samples were collected from the building and analyzed using techniques such as polarized light microscopy (PLM), energy-dispersive X-ray spectroscopy (EDX), micro-Raman spectroscopy (m-RS), and Fourier-transform infrared spectroscopy (FT-IR). The findings reveal that the red, yellow, green, and blue pigments are identified as lead red, lead chromate yellow, emerald green, and ultramarine, respectively. The white pigment is determined to be a combination of chalk and lead white or anglesite. Considering the production period of the yellow and green pigments, it is inferred that architectural paintings underwent restoration or repainting during the late Qing Dynasty. The analysis of the binder in the pigment using pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) reveals that the binder employed is a protein-based glue. Additionally, the detected presence of Heat-bodied tung oil suggests a potential connection to traditional Chinese painting techniques on wooden surfaces. This discovery not only contributes to the historical research of the Confucius Temple but also provides crucial data for the conservation and restoration efforts of this culturally significant heritage site.

Thermally-treated asbestos-cement wastes as supplementary precursor for geopolymeric binders: CO2 emission and properties.

This article explores the impact of thermally treated asbestos-cement waste (ACWT) on metakaolin-based geopolymers, using liquid sodium silicate (LSS) and liquid potassium silicate (LKS) as alkali activators. Through statistical mixture design, various formulations were tested for rheological parameters, mineralogical composition, efflorescence mass, electrical conductivity, compressive strength, and CO2 emissions. Formulations with sodium silicate exhibited higher yield stress compared to those with potassium silicate, while flash setting occurred in LKS-activated mixtures with high ACWT content. Alkali activator content significantly affected mechanical strength and leachate electrical conductivity. CO2 emissions were higher for LKS-activated formulations but lower for those with more ACWT. Finally, by incorporating ACWT, it was possible to optimize the formulations, resulting in high compressive strength, reduced free ions, and reduced negative environmental impact.

Calcium-based phosphate binders and bone mineral density in patients undergoing hemodialysis: a retrospective cohort study.

BACKGROUND: Calcium supplements are commonly prescribed to prevent fractures in patients with osteoporosis. Nonetheless, they are generally eschewed in hemodialysis patients because they increase vascular calcification and induce cardiovascular disease. This retrospective cohort study aimed to investigate the effect of calcium-based phosphate binders (CBPB) on bone mineral density (BMD) in hemodialysis patients. METHODS: Outpatients on dialysis who underwent BMD measurement from January to December 2017, whose data on BMD trends and CBPB administration were recorded over the next 4 years, were enrolled. Patients receiving anti-osteoporotic medications were excluded. The association between the presence and duration of CBPB administration and changes in BMD was evaluated. RESULTS: The femoral neck's BMD decreased from 0.836 g/cm2 (0.702-0.952) to 0.764 g/cm2 (0.636-0.896) (P < 0.001) in the non-CBPB group (patients who never received CBPB over 4 years, n = 32). The CBPB group (n = 56) exhibited only a minute decrease from 0.833 g/cm2 (0.736-0.965) to 0.824 g/cm2 (0.706-0.939) (P = 0.004). Multivariate linear regression analysis revealed better BMD maintenance in the CBPB group [ß-coefficient (95% CI): 0.033 (0.001-0.065); P = 0.046] than in the non-CBPB group. Additionally, the prolonged-CBPB administration group showed superior BMD preservation [ß-coefficient (95% CI): 0.038 (0.001-0.076); P = 0.042]. CONCLUSION: CBPB administration may be associated with BMD maintenance.

Radiation and Radical Grafting Compatibilization of Polymers for Improved Bituminous Binders-A Review.

This review scrutinizes current research on new methods for enhancing bituminous binder performance through radiation and radical grafting of polymer modifiers of bitumen. It investigates innovative methods, including using waste polymers as modifiers and applying radiation for polymer grafting, to overcome challenges like high costs, low aging resistance, and storage stability issues, of which separation of phases polymer/bitumen is the most significant obstacle. These advanced modification techniques promise sustainability through the decrease of the carbon footprint of transportation systems by improving the properties and durability of binders. Additionally, this review discusses the parameters and mechanistic aspects from a scientific perspective, shedding light on the underlying processes that contribute to the improved performance of modified bituminous binders.

Manufacturing Options for Activated Carbons with Selected Synthetic Polymers as Binders.

Formed activated carbon (AC) is a multipurpose product with developed adsorption properties that is widely used in various areas of life. To create AC, hard coal has to go through various processes: grinding, granulation, carbonization, physical and/or chemical activation. Presented research was conducted in the professional company manufacturing activated carbons. Studied AC reached the demanded shape of grains thanks to binders added to granulation process. Research on the AC formed using new polymeric binders (applied so far in other branches: pharmacy and construction materials) is presented in this manuscript. Tested binders were not used before to manufacture ACs in the professional technological line. Such polymers as: sodium carboxymethylhydrocellulose (CMHC), poly[1-(2-oxo-1-pyrrolidinyl)ethylene] (POPE) and enriched methyl-hydroxypropyl cellulose MHPC were studied in this work. Conducted research has proven efficiency of 8% CMHC which allowed for proper granulation and carbonization and reached the best parameters. Single- and double-stage activation was investigated for AC with this binder. For newly manufactured AC BET surface and pore volume increased accordingly from 774 m2/g and 0.58 cm3/g (1-stage) to 968 m2/g and 0.72 cm3/g (2-stage). Chemical elemental features of surface of the best AC showed beside elementary carbon also calcium, silicon and aluminum ions as well as groups with an acidic character, phosphates, sulphates and chlorides. The new AC had a higher Mechanical Strength reaching 99.9% and a lower Ash content and Volatile Matter than AC manufactured with previous binder-molasse. The new AC is intended to be directed for full production line and implementation to usage after positive certification. It may be useful in water treatment. It will also find application in the treatment of industrial and municipal wastewater.

Fast, accurate ranking of engineered proteins by target-binding propensity using structure modeling.

Deep-learning-based methods for protein structure prediction have achieved unprecedented accuracy, yet their utility in the engineering of protein-based binders remains constrained due to a gap between the ability to predict the structures of candidate proteins and the ability toprioritize proteins by their potential to bind to a target. To bridge this gap, we introduce Automated Pairwise Peptide-Receptor Analysis for Screening Engineered proteins (APPRAISE), a method for predicting the target-binding propensity of engineered proteins. After generating structural models of engineered proteins competing for binding to a target using an established structure prediction tool such as AlphaFold-Multimer or ESMFold, APPRAISE performs a rapid (under 1 CPU second per model) scoring analysis that takes into account biophysical and geometrical constraints. As proof-of-concept cases, we demonstrate that APPRAISE can accurately classify receptor-dependent vs. receptor-independent adeno-associated viral vectors and diverse classes of engineered proteins such as miniproteins targeting the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike, nanobodies targeting a G-protein-coupled receptor, and peptides that specifically bind to transferrin receptor or programmed death-ligand 1 (PD-L1). APPRAISE is accessible through a web-based notebook interface using Google Colaboratory (https://tiny.cc/APPRAISE). With its accuracy, interpretability, and generalizability, APPRAISE promises to expand the utility of protein structure prediction and accelerate protein engineering for biomedical applications.

Management of Hyperkalemia in Renin-Angiotensin-Aldosterone System Inhibitor: Strategies to Maintain Chronic Kidney Disease Patients with Type II Diabetes on Therapy.

BACKGROUND: According to the Centers for Disease Control and Prevention (CDC), diabetes affects approximately 37.3 million individuals in the USA, with another estimated 96 million people having a prediabetic state. Furthermore, one or two out of three adult Americans exhibit metabolic syndrome or an insulin-resistant state, depending on their age group. SUMMARY: Chronic kidney disease (CKD) represents a complication often associated with type II diabetes or the insulin-resistant condition, typically identifiable through proteinuria. Proteinuria serves as both a marker and a contributing factor to kidney damage, and it significantly heightens the risk of cardiovascular (CV) events, including atherosclerosis, heart attacks, and strokes. Renin-angiotensin-aldosterone system inhibitors (RAASis) have demonstrated clinical efficacy in lowering blood pressure, reducing proteinuria, and slowing CKD progression. However, hyperkalemia is a common and serious adverse effect associated with using RAASi. KEY MESSAGES: It is imperative to establish personalized management strategies to enable patients to continue RAASi therapy while effectively addressing hyperkalemia risk. Healthcare professionals must be careful not to inadvertently create a low renal perfusion state, which can reduce distal nephron luminal flow or luminal sodium concentration while using RAASi. Nonsteroidal mineralocorticoid receptor antagonists (nsMRAs), such as finerenone, are demonstrated to delay CKD progression and reduce CV complications, all while mitigating the risk of hyperkalemia. Additionally, maintaining a routine monitoring regimen for serum potassium levels among at-risk patients, making dietary adjustments, and considering the adoption of newer potassium-binding agents hold promise for optimizing RAASi therapy and achieving more effective hyperkalemia management.

Study on Viscoelastic Properties of Various Fiber-Reinforced Asphalt Binders.

This study analyzed the viscoelastic properties of asphalt binders reinforced with various fibers, such as modified asphalt binder, modified asphalt binder reinforced with lignin fibers (LFs), polyester fibers (PFs), and polypropylene fibers (PPFs), using dynamic shear rheological (DSR) testing. Then, the experiment generated data on the dynamic modulus and phase angle, which described the dynamic rheological characteristics at varying temperatures. The generalized Maxwell model was employed to select the appropriate element, and the test curve was fitted into a discrete time spectrum based on the time-temperature equivalence principle (TTSP). The master curves of the relaxation modulus and creep compliance were established to predict the relaxation and creep properties of various asphalt binders. The analysis indicated that fiber-reinforced binders offer superior resistance to high temperatures and long-term deformation, while being less sensitive to temperature and having a more significant elastic characterization. The binders reinforced with PPFs and LFs exhibited superior performance in high-temperature settings and long-term durability, respectively. On the other hand, the binder reinforced with PFs displayed exceptional high-temperature elastic properties. Additionally, based on the experimental data and corresponding discussion, it appears that the 13-element GM model is more appropriate for fitting the data.

Steric molecular combing effect enables Self-Healing binder for silicon anodes in Lithium-Ion batteries.

Silicon is a promising anode material for lithium-ion batteries with its superior capacity. However, the volume change of the silicon anode seriously affects the electrode integrity and cycle stability. The waterborne guar gum (GG) binder has been regarded as one of the most promising binders for Si anodes. Here, a unique steric molecular combing approach based on guar gum, glycerol, and citric acid is proposed to develop a self-healing binder GGC, which would boost the structural stability of electrode materials. The GGC binder is mainly designed to weaken van der Waals' forces between polymers through the plasticizing effect of glycerol, combing and straightening the guar molecular chain of GG, and exposing the guar hydroxyl sites of GG and the carboxyl groups of citric acid. The condensation reaction between the hydroxyl sites of GG and the carboxyl groups of citric acid forms stronger hydrogen bonds, which can help achieve self-healing effect to cope with the severe volume expansion effect of silicone-based materials. Silicon electrode lithium-ion batteries prepared with GGC binders exhibit outstanding electrochemical performance, with a discharge capacity of up to 1579 mAh/g for 1200 cycles at 1 A/g, providing a high capacity retention rate of 96%. This paper demostrates the great potential of GGC binders in realizing electrochemical performance enhancement of silicon anode.

Molecular Effects of Li+-Coordinating Binders and Negatively Charged Binders on the Li+ Local Mobility near the Electrolyte/LiFePO4 Cathode Interface within Lithium-Ion Batteries.

The development of lithium-ion batteries (LIBs) is important in the realm of energy storage. Understanding the intricate effects of binders on the Li+ transport at the cathode/electrolyte interface in LIBs remains a challenge. This study utilized molecular dynamics simulations to compare the molecular effects of conventional polyvinylidene difluoride (PVDF), Li+-coordinating polyethylene oxide (PEO), and negatively charged polystyrene sulfonate (PSS) binders on local Li+ mobility at the electrolyte/LiFePO4 (LFP) cathode interface. By examining concentration profiles of Li+, three different polymer binders, and anions near Li+-rich LFP and Li+-depleted FePO4 (FP) surfaces, we found a superior performance of the negatively charged PSS on enhancing Li+ distribution near the Li+-depleted FP surface. The radial distribution function and coordination number analyses revealed the potent interactions of PEO and PSS with Li+ disrupting Li+ coordination with electrolyte solvents. Our simulations also revealed the effects of non-uniform binder dispersions on the Li+ local mobility near the cathode surface. The combined results provide a comparative insight into Li+ transport at the electrolyte/cathode interface influenced by distinct binder chemistries, offering a profound understanding of the binder designs for high-performance LIBs.