Physicochemical Research Articles

Advancements in machine learning for predicting phases in high-entropy alloys: a comprehensive review

High entropy alloys (HEAs) are distinguished by their enhanced physicochemical properties, attributed to the formation of various phases such as solid solution (SS), intermetallic (IM), or a combination (SS + IM). These phases contribute distinctively to the microstructure of the alloys. A critical aspect of alloy design revolves around accurately predicting these phases, which has led to the integration of sophisticated data vetting methods and Machine Learning (ML) algorithms in recent research. This review paper aims to provide a comprehensive analysis of the advancements in phase prediction accuracy within HEAs, an essential component in the development of these alloys. HEAs are known for their intricate compositions, offering a wide spectrum of material properties, making them particularly relevant for applications aimed at future sustainability. Phase engineering in HEAs unlocks the potential for creating materials tailored to eco-friendly technologies and energy-efficient solutions. The challenge in predicting phase selection in HEAs is accentuated by the limited data available on these complex materials. This review delves into how advanced data vetting techniques and ML algorithms are being employed to overcome these challenges, thus contributing significantly to sustainable material design. The paper examines various algorithms used in HEA phase prediction, including KNN (K-Nearest Neighbors), SVM (Support Vector Machines), ANN (Artificial Neural Networks), GNB (Gaussian Naive Bayes), and RF (Random Forest). It discusses the testing accuracy of these algorithms in classifying HEA phases, revealing variations in their effectiveness. The review highlights the superior accuracy of ANNs, followed closely by KNN and SVM, while noting the comparatively lower accuracy of GNB. This comprehensive review synthesizes current research efforts in utilizing computational methods to design HEAs, underlining their broader implications in expediting the discovery and development of diverse metal alloys. These efforts are pivotal in meeting the evolving demands of modern engineering applications, thereby contributing to the advancement of materials science.

Advancing molecular modeling and reverse vaccinology in broad-spectrum yellow fever virus vaccine development

Yellow fever outbreaks are prevalent, particularly in endemic regions. Given the lack of an established treatment for this disease, significant attention has been directed toward managing this arbovirus. In response, we developed a multiepitope vaccine designed to elicit an immune response, utilizing advanced immunoinformatic and molecular modeling techniques. To achieve this, we predicted B- and T-cell epitopes using the sequences from all structural (E, prM, and C) and nonstructural proteins of 196 YFV strains. Through comprehensive analysis, we identified 10 cytotoxic T-lymphocyte (CTL) and 5T-helper (Th) epitopes that exhibited overlap with B-lymphocyte epitopes. These epitopes were further evaluated for their affinity to a wide range of human leukocyte antigen system alleles and were rigorously tested for antigenicity, immunogenicity, allergenicity, toxicity, and conservation. These epitopes were linked to an adjuvant (β\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\beta$$\\end{document}-defensin) and to each other using ligands, resulting in a vaccine sequence with appropriate physicochemical properties. The 3D structure of this sequence was created, improved, and quality checked; then it was anchored to the Toll-like receptor. Molecular Dynamics and Quantum Mechanics/Molecular Mechanics simulations were employed to enhance the accuracy of docking calculations, with the QM portion of the simulations carried out utilizing the density functional theory formalism. Moreover, the inoculation model was able to provide an optimal codon sequence that was inserted into the pET-28a( +) vector for in silico cloning and could even stimulate highly relevant humoral and cellular immunological responses. Overall, these results suggest that the designed multi-epitope vaccine can serve as prophylaxis against the yellow fever virus.

Visible-light harvesting SrTiO3 solid solutions for photocatalytic hydrogen evolution from water.

The fabrication of solid solutions represents a compelling approach to modulating the physicochemical properties of materials. In this study, we achieved the successful synthesis of solid solutions comprising SrTiO3 and SrTaO2N (denoted as (SrTiO3)1-x-(SrTaO2N)x, 0 ≤ x ≤ 1) using the magnesium powder-assisted nitridation method. The absorption edge of (SrTiO3)1-x-(SrTaO2N)x is tunable from 500 to 600 nm. The conduction band minimum (CBM) of (SrTiO3)1-x-(SrTaO2N)x comprises the Ti 3d orbitals and the Ta 5d orbitals, while the valence band maximum (VBM) consists of the O 2p and N 2p orbitals. The microstructure of the (SrTiO3)1-x‑(SrTaO2N)x consists of small nanoparticles, exhibiting a larger specific surface area than the parent compounds of SrTiO3 and SrTaO2N. In the photocatalytic hydrogen evolution reaction (HER) with sacrificial reagents, the activity of solid solutions is notably superior to that of nitrogen-doped SrTiO3 and SrTaO2N. This superiority is mainly attributed to its broad light absorption range and high charge separation efficiency, which indicates its potential as a promising photocatalytic material. Moreover, the magnesium powder-assisted nitridation method exhibits obvious advantages for the synthesis of oxynitrides and bears instructional significance for the synthesis of other nitrogen-containing compounds and even sulfur-containing compounds.

Indirect effects of plasma-activated water irrigation on Tetranychus urticae populations

AbstractPlasma-activated water (PAW) is receiving increased attention as a booster of seed germination and seedling vigor, and some studies have described use of PAW to manage crop pathogens. Here, we examined physicochemical properties of two PAWs (referred to as PAW 6.0 and 9.4 min with atmospheric plasma jet) and assessed “their indirect effects” (applied as supplementary irrigation) on host suitability of tomato plants (Solanum lycopersicum L.) to two-spotted spider mites (Tetranychus urticae Koch). Exposure of water to cold plasma significantly lowered pH and increased concentrations of H2O2, NO2−, and NO3−. Supplementary PAW irrigations elicited significant increases in leaf composition of several elements (N, P, K S, Ca, and Mg), leaf reflectance, plant size, and trichome densities (except non-glandular trichomes on the adaxial surface). Preference bioassays revealed significant avoidance of settling and reduced oviposition by two-spotted spider mites on leaf discs from PAW-irrigated plants compared to those from untreated control plants. Performance bioassays showed a significant decrease in two-spotted spider mite populations on PAW-irrigated plants. Results presented in this study provide comprehensive support to the hypothesis that indirect effects of supplementary PAW irrigation significantly reduce host plant suitability to two-spotted spider mites. PAW 6.0 may be slightly better than PAW 9.4, and this difference in performance is discussed in this study. Applications of PAW as supplementary irrigation are likely highly compatible with other IPM tactics and should be considered an innovative and sustainable component in twenty-first-century pest management.

Prediction of the First-Pass Metabolism of a Drug After Oral Intake Based on Structural Parameters and Physicochemical Properties.

The oral first-pass metabolism is a crucial factor that plays a key role in a drug's pharmacokinetic profile. Prediction of the oral first-pass metabolism based on chemical structural parameters can be useful in the drug-design process. Developing an orally administered drug with an acceptable pharmacokinetic profile is necessary to reduce the cost and time associated with evaluating the extent of the first-pass metabolism of a candidate compound in preclinical studies. The aim of this study is to estimate the first-pass metabolism of an orally administered drug. A set of compounds with reported first-pass metabolism data were collected. Moreover, human intestinal absorption percentage and oral bioavailability data were extracted from the literature to propose a classification system that split the drugs up based on their first-pass metabolism extents. Various structural parameters were calculated for each compound. The relations of the structural and physicochemical values of each compound to the class the compound belongs to were obtained using logistic regression. Initial analysis showed that compounds with logD7.4>1 or a rugosity factor of > 1.5 are more likely to have high first-pass metabolism. Four different models that can predict the oral first-pass metabolism with acceptable error were introduced. The overall accuracies of the models were in the range of 72% (for models with simple descriptors) to 78% (for models with complex descriptors). Although the models with simple descriptors have lower accuracies compared to complex models, they are more interpretable and easier for researchers to utilize. A novel classification of drugs based on the extent of the oral first-pass metabolism was introduced, and mechanistic models were developedto assign candidate compounds to the appropriate proposed classes.

Zinc Oxide:Gold Nanoparticles (ZnO:Au NPs) Exhibited Antifungal Efficacy Against Aspergillus niger and Aspergillus candidus

AbstractFungal pathogens are a major health issue that threatens the era of antifungal drugs commonly used in the treatment of infections. An effective approach of biosynthetic nanoparticles can be used as antifungal agents owing to their intrinsic features such as their simplicity, non-toxic, and physicochemical properties. Therefore, this study was aimed to molecularly ascertain Aspergillus species known to cause aspergillosis and investigate the potency of zinc oxide:gold nanoparticles (ZnO:Au NPs) against the fungal pathogens. Two Aspergillus strains retrieved with potato dextrose agar (PDA) culture media from commercial food products in South Africa were molecularly identified using calmodulin (CaM) gene region. DNA sequence phylogeny of the gene showed that the strains were A. niger and A. candidus. ZnO:Au (1%) NPs were synthesised and characterised using X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS). Two distinct peak plasmon bands for ZnO and ZnO:Au NPs were 390 nm and 565 nm, respectively. FE-SEM images demonstrated the presence of Au on the surface of ZnO nanoparticles in the ZnO:Au nanocomposites. The ZnO:Au NPs antifungal activity of 10 µg/mL and 50 µg/mL concentrations were evaluated against the two Aspergillus spp. ZnO:Au NPs at 50 µg/mL exhibited a maximum antifungal activity against A. candidus and A. niger, with zones of inhibition (ZoI) of 31.2 ± 0.15 mm and 25.0 ± 0.06, respectively. When the ZoI was observed by SEM, major morphological damages on the conidia were observed for both strains, indicating that the antifungal activity may have been enhanced by the ZnO:Au NPs. Therefore, due to these outstanding properties, ZnO:Au NPs can be utilised as potential antifungal agents to inhibit the proliferation of fungal pathogens.

Electrodeposited ZIF-67 reinforced polypyrrole coating on ferritic stainless steel substrate with durable anticorrosion performance

The harsh acidic environment containing chloride ions has created serious corrosion hazards for ferritic stainless steels. Zeolitic imidazole frameworks (ZIFs) are a promising material for corrosion protection due to their microstructural and physicochemical properties. In this study, we proposed the electrodeposited ZIF-67 reinforced polypyrrole (PPY) coating (PPY/ZIF-67) for corrosion protection of 430 ferritic stainless steel (430SS). The morphology, microstructure, and anticorrosion behavior of the pristine PPY and hybrid PPY/ZIF-67 coating systems were characterized. The successful electrodeposition of ZIF-67 nanoparticles on the surface of the PPY layer resulted in a uniform distribution and a compact coating structure, which contributed to the overall uniformity of the coating and enhanced both the barrier and activity inhibition functions of the coating. The protective performance of PPY/ZIF-67 coatings was evaluated through electrochemical tests, the results indicated that the anticorrosion efficiency of PPY/ZIF-67 coating (with 0.4 mol/L pyrrole monomer content) reached to 99 %, and the coating demonstrated a durable corrosion protection ability (744 h) in 0.1 mol/L HCl solution. Such performance of can be attributed to the combined effect of the anodic protection provided by the inner PPY film, the active corrosion inhibiting properties of the ZIF-67 nanoparticle layer, and the hindrance of aggressive species by the compact coating structure over the prolonged service time.

Synthesis and characterization of alumina supported molybdosilicic acid (SiMo12/Al2O3): Efficient solid acid catalyst for the synthesis of pyranopyrazole derivatives

A series of highly reusable heterogeneous catalysts (10-40 wt.% SiMo12/Al2O3), consisting of molybdosilicic acid (SiMo12) impregnated on alumina (Al2O3) support was synthesized by the wetness impregnation method. The physicochemical properties of synthesized catalyst were studied using FT-IR, XRD, SEM, EDX, TEM, BET and TG-DTA analysis techniques. The study proves that the synthesized SiMo12 catalyst efficiently incorporated on the surface of Al2O3. The catalytic activity of prepared catalyst was investigated for the synthesis of pyranopyrazole(6-amino-4-phenyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5carbonitrile) via cyclocondensation reaction of aldehydes, malononitrile, hydrazine hydrate and ethyl-acetoacetate under solvent-free conditions. Among different catalysts, 30% SiMo12 supported on to Al2O3 showed the highest catalytic activity. High yield, shorter reaction time, operational simplicity, solvent-free conditions and reusability of the catalyst are the distinct features of this protocol.

Modifying the Backbone Chemistry of PEG-based Bottlebrush Block Copolymers for the Formation of Long-Circulating Nanoparticles.

Nanoparticle physicochemical properties have received great attention in optimizing the performance of nanoparticles for biomedical applications. For example, surface functionalization with small molecules or linear hydrophilic polymers is commonly used to tune the interaction of nanoparticles with proteins and cells. However, it is challenging to control the location of functional groups within the shell for conventional nanoparticles. Nanoparticle surfaces composed of shape-persistent bottlebrush polymers allow hierarchical control over the nanoparticle shell but the effect of the bottlebrush backbone on biological interactions is still unknown. We report the synthesis of novel heterobifunctional poly(ethylene glycol) (PEG)-norbornene macromonomers modified with various small molecules to form bottlebrush polymers with different backbone chemistries. We demonstrate that micellar nanoparticles composed of poly(lactic acid) (PLA)-PEG bottlebrush block copolymer (BBCP) with neutral and cationic backbone modifications exhibit significantly reduced cellular uptake compared to conventional unmodified BBCPs. Furthermore, the nanoparticles display long blood circulation half-lives of ∼22h and enhanced tumor accumulation in mice. Overall, our work sheds light on the importance of the bottlebrush polymer backbone and provides a strategy to improve the performance of nanoparticles in biomedical applications. This article is protected by copyright. All rights reserved.

Assessment of Physicochemical Properties of Orange Juice Concentrate Formulated with Pectin, Xanthan, and CMC Hydrocolloids

Orange concentrate (OC) is one of the main raw materials in the nonalcoholic beverage industry. Considering the difference in orange varieties, preserving its natural quality is essential to yield a product with favorable attributes and physical stability. Thus, the present study is aimed at assessing the effect of pectin, xanthan, and carboxymethyl cellulose (CMC) in a concentration range of 0–0.2% (w/v) along with mixing temperature on Brix, pH, acidity, density, turbidity, and viscosity of OC and at calculating the model equation for each attribute. The results showed that, except for CMC, the influence of concentration, type, and amount of hydrocolloid on pH changes was insignificant. Adding each hydrocolloid individually, in pairs, or threes reduced the density, and the measured density was lower at a mixing temperature of 4°C. Also, it was observed that mixing temperature was the only factor influencing turbidity, and the values were significantly lower at 80°C compared to 4°C. A significant interaction effect of xanthan concentration and mixing temperature on the Brix was observed. Adding hydrocolloids, except pectin, resulted in a significant (p<0.05) increase in viscosity, and xanthan had the greatest effect on the viscosity. A suitable model was designed using pectin and xanthan, pectin and CMC, and all three gums, resulting in a final OC product with high stability and improved physical and chemical attributes. The optimized values for Brix, pH, acidity, density, turbidity, and OC viscosity were achieved using 0.08% pectin, 0.19% xanthan, and 0.08% CMC at 80°C mixing temperature.

IrO2-ZrO2-SiO2 ternary oxide composites- based DSAs: Activity toward oxygen evolution reaction with long-term stability

BackgroundHigher purity of copper is produced by Electrowinning (EW) in the cathode. A major challenge in this technique is the anodic structure that causes in the energy consumption, corrosion resistance, and contamination of the copper produced in the cathode. MethodsTernary metallic oxide (IrO2-ZrO2-SiO2) composites with the different molar percentages of IrO2: SiO2 (10:60, 15:55, and 20:50%) were prepared on titanium substrate by the sol-gel technique, and then thermal decomposition to study the impact of IrO2 and SiO2 contents on the electrocatalyst performances of the dimensionally stable anodes (DSAs). The physicochemical properties of the DSAs were determined by X-ray diffraction (XRD), Field emission scanning electron microscope (FE-SEM), Atomic force microscopy (AFM), and electrochemical measurements. Significant findingsFE-SEM and AFM images display the impact of SiO2 on the crystallization and crystal growth of IrO2, leading to the formation of finer oxide particles and the porous morphology of the ternary oxide coatings. The DSA composed of 50 % SiO2 and 20 % IrO2 (IZS (20–30–50)) with a more porous surface area represented high apparent electrocatalytic activity toward the oxygen evolution reaction with long-term stability as analyzed under cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and accelerated lifetime (ALT) plots.

Microstructure and performance modification of PVDF ultrafiltration membrane via adjusting the composition of coagulation Bath

AbstractIn this paper, the effect of the composition of a nonsolvent bath on the physicochemical properties of the polyvinylidene fluoride (PVDF) ultrafiltration membranes were comprehensively investigated using the nonsolvent‐induced phase separation method. Three additives (ethanol, glycerol, or NaCl) were added to the water coagulation bath respectively to obtain different membranes. It was found that the microstructure of the membranes changed from finger‐like structure to the sponge‐like structure with the increase of additives concentration, which successfully improved the retention and mechanical properties of the membranes. In addition, the membrane surface became smoother and more hydrophilic. The membrane fabricated in 30 wt% glycerol bath exhibited outstanding comprehensive properties of retention and anti‐fouling, with a water flux of 243.5 L/(m2 h), a bovine serum albumin rejection of more than 90%, and a flux recovery rate of 97%. From mechanism analysis, the addition of ethanol, glycerol, or NaCl to the coagulation bath altered the thermodynamic stability of the polymer system, and slowed down the rate of solvent and nonsolvent diffusion from a kinetic perspective. This research provides important clues for optimizing the membrane properties, such as flux, rejection, and strength.

PEG modification increases thermostability and inhibitor resistance of Bst DNA polymerase.

Polyethylene glycol modification (PEGylation) is a widely used strategy to improve the physicochemical properties of various macromolecules, especially protein drugs. However, its application in enhancing the performance of enzymes for molecular biology remains underexplored. This study explored the PEGylation of Bst DNA polymerase, determining optimal modification reaction conditions. In comparison to the unmodified wild-type counterpart, the modified Bst DNA polymerase exhibited significantly improved of activity, thermal stability and inhibitor tolerance during loop-mediated isothermal amplification (LAMP). When applied for the detection of Salmonella in crude samples, the modified enzyme demonstrated a notably accelerated reaction rate. Therefore, PEGylation emerges as a viable strategy for refining DNA polymerases, helping in the development of novel molecular diagnostic reagents.

Carbon‐based nanodots for biomedical applications and clinical transformation prospects

AbstractCarbon dots (CDs), emerging as a promising class of nanomaterials, have garnered significant interest in the field of biomedicine due to their unique physicochemical properties. This review provides a comprehensive overview of the recent advancements in the biomedical applications of CDs, emphasizing their potential for revolutionizing diagnostics, therapy, and bio‐imaging. We discuss the synthesis and functionalization of CDs, which are pivotal in tailoring their properties for specific biomedical applications. The applications of CDs in bioimaging include fluorescence imaging, magnetic resonance imaging, photoacoustic imaging, etc. Additionally, this review delves into the benefits of CDs in the treatment of diseases including cancer, inflammation and Alzheimer's, etc. Finally, we look forward to the future of CDs in the field of biomedicine, emphasizing the necessity of interdisciplinary collaboration to overcome current obstacles and facilitate the clinical translation of CDs‐based technologies. This review aims to provide a summary and perspectives on the latest developments of CDs in biomedicine, hoping to inspire further research in this rapidly advancing field.

Effect of nano-graphene lubricating oil on particulate matter of a diesel engine

Nano-graphene lubricating oil with appropriate concentration shows excellent performance in reducing friction and wear under different working conditions of diesel engines, and has been widely concerned. Lubricating oil has a significant impact on particulate matter (PM) emissions. At present, there are few studies on the impact of nano-graphene lubricating oil on the physicochemical properties of PM. In order to comprehensively evaluate the impact of nano-graphene lubricating oil on diesel engines, this paper mainly focused on the effects of lubricating oil nano-graphene additives on the particle size distribution and physicochemical properties of PM. The results show that, compared with pure lubricating oil, the total number of nuclear PM and accumulated PM of nano-graphene lubricating oil is significantly increased. The fractal dimension of PM of nano-graphene lubricating oil increases and its structure becomes more compact. The average fringe separation distance of basic carbon particles decreases, the average fringe length increases. The degree of ordering and graphitization of basic carbon particles are higher. The fringe tortuosity of basic carbon particles decreases, and the fluctuation of carbon layer structure of basic carbon particles decreases. Aliphatic substances in PM are basically unchanged, aromatic components and oxygen functional groups increase. The initial PM oxidation temperature and burnout temperature increase, the maximum oxidation rate temperature and combustion characteristic index decrease, and the activation energy increases, making it more difficult to oxidize. This was mainly caused by the higher graphitization degree of PM of nano-graphene lubricating oil and the increased content of aromatic substances.

Impact of Cross‐Linking on the Physicochemical and Physiological Characteristics of Barnyard Millet (Echinochloa frumentacea) Grains Starch

Barnyard millet starch (Echinochloa frumentacea) has been investigated for its potential in drug delivery systems due to its unique properties. This study examined the physicochemical and physiological properties of cross‐linked barnyard millet starch (BMS) using varying concentrations of sodium tripolyphosphate (STPP). Physicochemical and physiological properties of the cross‐linked starches are analyzed. Cross‐linking resulted in reduced swelling capacity and solubility of starch samples. Morphological analysis revealed rough surfaces with cavities and minute cracks in cross‐linked starches. Acute and sub‐acute toxicity studies in test animals indicated no adverse effects, with LD50 values within acceptable limits at 2000 mg kg−1. Hematological, biochemical, and lipid profiles showed no significant alterations compared to the control group. The study demonstrated a low acute toxicity level and favorable safety profile for STPP‐cross‐linked starch. These findings highlighted the potential of cross‐linked barnyard millet starch as a carrier in drug delivery system and for food applications. This study supports the potential of cross‐linked barnyard millet starch in pharmaceutical formulations.

Development of novel lactose‐free Tigernut milk pudding with no added sugar and determination of physicochemical and organoleptic attributes

SummaryDeveloping health‐oriented novel products (e.g. no sugar added for diabetes and lactose‐free for lactose intolerance) supports diverse consumer needs, promotes healthier eating habits and fosters inclusivity in the food sector. This study aimed to develop a Tigernut milk pudding (TNP), an alternative to dairy‐based pudding and assess its physicochemical and sensory attributes. TNP was formulated by incorporating hydrocolloids κ‐carrageenan (KC), konjac powder (KP) and corn starch (CS), then compared with a commercial milk pudding (CMP) and traditionally prepared raw cow milk pudding (RMP). The crude protein, fat, ash and moisture levels ranged from 5.62% to 8.04%, 5.25% to 7.03%, 2.81% to 3.98% and 68.71% to 74.76% respectively. Lightness (L*) ranged from 69.87 to 77.89, while a* ranged from 0.36 to 0.86 and b* ranged from 8.13 to 9.97. Syneresis ranged from 4.98% to 8.00%, slightly higher than RMP (4.98%) and CMP (4.87%), while pH levels ranged from 6.31 to 6.89, nearly acidic to neutral pH range. Total soluble solids ranged from 2.90 °Brix to 3.67 °Brix. The bacterial count was in the marginal range below 105 CFU g−1, with no presence of Salmonella spp. or E. coli. Total antioxidant properties showed total flavonoid and phenolics, ranging from 306.24 mg QE/100 g to 358.58 mg QE/100 g and 39.06 mg GAE/100 g to 54.81 mg GAE/100 g respectively. An overall organoleptic rate of 3.50 was attained with 0.25% KC, 0.50% KP and 2.50% CS, achieving a desired texture comparable to CMP. The novel study on using Tigernut milk in pudding explores its plant‐based, vegan‐friendly, lactose‐free attributes as a healthy dairy milk alternative. With desirable physicochemical properties, promising improved nutrition, potential health benefits and possible contribution to food security and enhanced resource efficiency, TNP could be considered for commercialisation.

3D Printed P(VdF‐HFP)/SBA‐15 composite‐based gel polymer electrolyte versus commercial celgard: A comparative investigation on thermal stability and electrochemical performance for lithium‐ion battery application

AbstractThe current work reports on tailoring of 3D printed gel polymer electrolyte (GPE) employing poly(vinylidene fluoride‐co‐hexafluoropropylene) P(VdF‐HFP) as the host matrix and mesoporous Santa Barbara Amorphous‐15 (SBA‐15) mesoporous sieve as ceramic filler. Further, this work envisages an investigation on its physicochemical properties, thermal shrinkage behavior, and electrochemical performance. An effort has been undertaken to formulate 3D printable P(VdF‐HFP)/SBA‐15 composite‐based GPE ink with suitable rheological properties. The breath figure method is followed to investigate the influence of 1‐methyl‐2‐pyrrolidinone (NMP)/tetrahydrofuran (THF) mixture as a solvent on the porosity of 3D printed GPE, through which enhanced porosity is evident from scanning electron microscopy (SEM) analysis. The morphological analysis further confirms the hybrid porous structure facilitated by the addition of SBA‐15 into the P(VdF‐HFP) matrix. The 3D printed P(VdF‐HFP)/SBA‐15 (10%) composite‐based GPE shows promising ionic conductivity in the order of 0.2 × 10−4 S/cm at room temperature and demonstrates excellent dimensional thermal stability up to 175°C. The electrochemical measurement of 3D printed GPE is tested separately using 3D printed cathode half‐cell (3D printed LFP vs. Li+) and 3D printed anode half cell (3D printed LTO vs. Li+) with GPE as separator. Further, also tested with conventionally prepared electrode and the coin cell studies show discharge capacity of 3D printed P(VdF‐HFP)/SBA‐15 (10%) composite‐based GPE is comparable to commercial celgard separator. All these features speculate that the 3D printed fabricated in the current work may find potential application in lithium‐ion battery.

Unleashing Fungicidal Forces: Exploring the Synergistic Power of Amphotericin B-Loaded Nanoparticles and Monoclonal Antibodies

Fungal infections cause 1.7 million deaths annually, which can be attributed not only to fungus-specific factors, such as antifungal resistance and biofilm formation, but also to drug-related challenges. In this study, the potential of Amphotericin (AmB) loaded polymeric nanoparticles (AmB-NPs) combined with murine monoclonal antibodies (mAbs) (i.e., CC5 and DD11) was investigated as a strategy to overcome these challenges. To achieve this goal, AmB-NPs were prepared by nanoprecipitation using different polymers (polycaprolactone (PCL) and poly(D,L-lactide) (PLA)), followed by comprehensive characterization of their physicochemical properties and in vitro biological performance. The results revealed that AmB-loaded NPs exhibited no cytotoxicity toward mammalian cells (baby hamster kidney cells—BHK and human monocyte cells—THP-1). Conversely, both AmB-NPs demonstrated a cytotoxic effect against C. albicans, C. neoformans, and H. capsulatum throughout the entire evaluated range (from 10 µg/mL to 0.1 µg/mL), with a significant MIC of up to 0.031 µg/mL. Moreover, the combination of AmB-NPs with mAbs markedly intensified antifungal activity, resulting in a synergistic effect that was two to four times greater than that of AmB-NPs alone. These findings suggest that the combination of AmB-NPs with mAbs could be a promising new treatment for fungal infections that is potentially more effective and less toxic than current antifungal treatments.

Discovery of the Clinical Candidate IDOR-1117-2520: A Potent and Selective Antagonist of CCR6 for Autoimmune Diseases.

Migration of immune cells to sites of inflammation is a critical step in the body's response to infections but also during autoimmune flares. Chemokine receptors, members of the GPCR receptors, are instrumental in directing specific cell types to their target organs. Herein, we describe a highly potent small molecule antagonist of the chemokine receptor CCR6, which came out of fine-tuned structural elaborations from a proprietary HTS hit. Three main issues in the parent chemical series-cytotoxicity, phototoxicity, and hERG, were successfully solved. Biological characterization demonstrated that compound 45 (IDOR-1117-2520) is a selective and insurmountable antagonist of CCR6. In vivo proof-of-mechanism studies in a mouse lung inflammation model using a representative compound from the chemical class of 45 confirmed that the targeted CCR6+ cells were efficiently inhibited from migrating into the bronchoalveoli. Finally, ADMET and physicochemical properties were well balanced and the preclinical package warranted progress in the clinic.