Search

[Display omitted] • A method has been proposed to functionalize the surface of carbon hollow nanospheres through KOH chemical activation process to serve as the Se host for lithium-selenium battery. • The assembled battery achieved a high initial discharge specific capacity of 594 mA h g−1 at a current density of 0.5C. • DFT calculations indicated that surface functional groups exhibited strong chemical affinity towards polymeric selenides. • The ex-situ SEM/EIS tests demonstrated excellent reversibility of the electrode. Lithium-selenium (Li-Se) batteries are considered promising alternatives to lithium-ion batteries due to their higher volumetric capacity and energy density. However, they still face limitations in efficiently utilizing the active selenium. Here, we develop surface-functionalized mesoporous hollow carbon nanospheres as the selenium host. By using KOH activation, the surface of the carbon nanospheres is functionalized with hydroxyl groups, which greatly improve the utilization of selenium and facilitate the conversion of lithium selenides, leading to much higher capacities compared to ZnCl 2 activation and untreated carbon nanospheres. Theory and experimental evidence suggest that surface hydroxyl groups can enhance the reduction conversion of polyselenides to selenides and facilitate the oxidation reaction of selenides to elemental selenium. In-situ and ex-situ characterization techniques provided additional confirmation of the hydroxyl groups electrochemical durability in catalyzing selenium conversion. The meticulously engineered Se cathode demonstrates a high specific capacity of 594 mA h g−1 at 0.5C, excellent rate capability of 464 mA h g−1 at 2C, and a stable cycling performance of 500 cycles at 2C with a capacity retention of 84.8 %, corresponding to an ultra-low-capacity decay rate of 0.0144 % per cycle, surpassing many reported lithium-selenium battery technologies. [ABSTRACT FROM AUTHOR]

[Display omitted] Stone-built cultural heritage faces threats from natural forces and anthropogenic pollutants, including local climate, acid rain, and outdoor conditions like temperature fluctuations and wind exposure, all of which impact their structural integrity and lead to their degradation. The development of a water-based, environmentally-friendly protective coatings that meet a combination of requirements posed by the diversity of the substrates, different environmental conditions, and structures with complex geometries remains a formidable challenge, given the numerous obstacles faced by current conservation strategies. Here we report the structural, electrical, and mechanical characterization, along with performance testing, of a nanostructured hydrophilic and self-healing hybrid coating based on hydroxyapatite (HAp) nanocrystals and polyelectrolyte multilayers (PEM), formed in-situ on Greek marble through a simple spray layer-by-layer surface functionalization technique. The polyelectrolyte-hydroxyapatite multilayer (PHM) structure resembled the design of naturally forming trabecular bone, attained at a short procedural time. It exhibited chemical affinity, aesthetical compatibility and resistance to weathering while offering reversibility. The proposed method is able to generate micron-sized coatings with controlled properties, such as adhesion and self-healing, leading to less weathered surfaces. Our results show that the PHM is a highly effective protective material that can be applied for stone protection and other similar applications. [ABSTRACT FROM AUTHOR]

The use of bioplastics is a new strategy for reducing microplastic (MP) waste caused by petroleum‐based plastics. This problem has received increased attention worldwide, leading to the development of large‐scale bioplastic plants. The large amount of MPs in aquatic and terrestrial environments and the atmosphere has raised global concern. This article delves into the profound environmental impact of the increasing use of petroleum‐based plastics, which contribute significantly to plastic waste and, as a consequence, to the increase in MPs. We conducted a comprehensive analysis to identify countries that are at the forefront of efforts to produce bioplastics to reduce MP pollution. In this article, we explain the development, degradation processes, and research trends of bioplastics derived from biological materials such as starch, chitin, chitosan, and polylactic acid (PLA). The findings pinpoint the top 10 countries demonstrating a strong commitment to reducing MP pollution through bioplastics. These nations included the United States, China, Spain, Canada, Italy, India, the United Kingdom, Malaysia, Belgium, and the Netherlands. This study underscores the technical and economic obstacles to large‐scale bioplastic production. Integr Environ Assess Manag 2024;20:1892–1911. © 2024 SETAC Key Points: Microplastics (MP) have caused concern due to their environmental effects, potential to release plastic monomers, affinity for chemical interactions, and potential to enter aquaculture and fishery production.The findings pinpoint the top 10 countries demonstrating a strong commitment to reducing MP pollution by replacing petroleum‐based plastics with bioplastics.Using bibliometric techniques, we mapped and identified the countries that were most actively engaged in shifting to bioplastic production during the period 2001–2021.This article focuses on starch‐based bioplastics used primarily in food packaging, increasing their mechanical properties by adding fibers, and extending the shelf life of food with antibacterial nanoparticles. [ABSTRACT FROM AUTHOR]

ABSTRACT Objective Materials and Methods Results Conclusions Clinical Significance To investigate whether nonthermal atmospheric plasma (NTAP) can promote bonding between commonly used adhesive monomers and zirconia.The zirconia surface and monomers (HEMA, BisGMA, TEGDMA, and MDP) were treated with different NTAP approaches (10 w, 30 s), and the surface characteristics and chemical structures between the zirconia surface and monomers were verified by the contact angle, scanning electron microscopy (SEM), attenuated total reflectance Fourier transform infrared (ATR/FT‐IR) spectroscopy, and x‐ray photoelectron spectroscopy (XPS). Scotchbond Universal adhesive with two different resin cements, RelyX Ultimate and RelyX Unicem 2, was applied, followed by NTAP‐aided clinical procedures, and then microtensile bond strength test (μTBS) and failure mode evaluation were tested for preliminary mechanical properties assessment. One‐way ANOVA was employed for the statistical analysis.The contact angle analysis, SEM, and ATR‐FTIR confirmed that NTAP can promote the polymerization of BisGMA, TEGDMA, and MDP on the zirconia surface, while XPS confirmed that NTAP can induce a chemical reaction between MDP and zirconia.Nonthermal atmospheric plasma can increase the affinity between selected monomers and zirconia and promote the chemical bonding strength between phosphate monomers and zirconia; besides, it can enhance the bonding strength of two different adhesive systems.The mechanism of how NTAP improved common adhesive monomers interacting with zirconia surfaces was revealed in this study. NTAP, as a relatively high energy‐boosting method, could not only improve the surface affinity of zirconia and chemical bonding in‐between monomers and zirconia but also enhance the polymerization of different monomers onto zirconia, resulting in improved bonding properties. Thus, further exploration of versatile bonding materials and/or onto different dental substrates could take this into account. [ABSTRACT FROM AUTHOR]

Abstract\nHIGHLIGHTSDespite rapid advances in drug production, bacteria have adopted several drug resistance strategies, such as biofilm production. Therefore, research to develop and/or discover alternative antibacterial agents, such as natural products from plants becomes a necessity. Rosemary (Rosmarinus officinalis) is a well-known potent source of bioactive molecules with antibacterial and antibiofilm activities. The aim of this study was to determine the phytochemical composition, to evaluate the antibacterial and antibiofilm activities of Tunisian wild rosemary essential oils (REOs). Molecular docking tools were used to investigate the antibacterial effects of REOs bioactive molecules. GC-MS analysis revealed thirty-one compounds. The main components that define the chemotype were eucalyptol, camphor and α-pinene. The antibacterial activity evaluated by disc diffusion and the microdilution methods and the antibiofilm activity assessed by crystal violet test proved that REOs had strong activity against all the bacterial strains (Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli and Salmonella typhimurium). The molecular docking study revealed that the investigated main compounds of REOs exhibited the best binding scores with two target proteins (Fts-Z and FimH). These results prove that REOs exhibited interesting biological activities as antibacterial and antibiofilm agents which could be explored for complementary medicine, food and pharmaceutical industries.Chemical composition of rosemary essential oils (REOs), analyzed by GC–MS, revealed the presence of 31 compounds which the main components that define the chemotype were eucalyptol (40.77–55.47%), camphor (5.42–18.65%) and α-pinene (9.88–13.83%)The antibacterial activity was evaluated by disc diffusion and micro-dilution method, and the anti-biofilm activity assessed using a crystal violet test was tested against two Gram-positive bacteria (Staphylococcus aureus and Staphylococcus epidermidis) and two Gram-negative strains (Escherichia coli and Salmonella typhimurium) and the results showed that all the tested REOs showed a strong activity against all bacterial strains.Furthermore, the studied REOs showed a potential anti-biofilm activity. Similarly, in the eradication activity, the majority of the tested REOs were able to eradicate the bacterial preinstalled biofilmsMolecular docking tools were performed to investigate the binding affinities and the interactions between the main components of REOs and two target proteins of a bacterial cell Fts-Z and FimH, in order to suggest a potent inhibitor against bacterial function. docking verification has shown a good affinity of some chemical compounds from REOs with target receptor protein explaining the assessed biological activitiesChemical composition of rosemary essential oils (REOs), analyzed by GC–MS, revealed the presence of 31 compounds which the main components that define the chemotype were eucalyptol (40.77–55.47%), camphor (5.42–18.65%) and α-pinene (9.88–13.83%)The antibacterial activity was evaluated by disc diffusion and micro-dilution method, and the anti-biofilm activity assessed using a crystal violet test was tested against two Gram-positive bacteria (Staphylococcus aureus and Staphylococcus epidermidis) and two Gram-negative strains (Escherichia coli and Salmonella typhimurium) and the results showed that all the tested REOs showed a strong activity against all bacterial strains.Furthermore, the studied REOs showed a potential anti-biofilm activity. Similarly, in the eradication activity, the majority of the tested REOs were able to eradicate the bacterial preinstalled biofilmsMolecular docking tools were performed to investigate the binding affinities and the interactions between the main components of REOs and two target proteins of a bacterial cell Fts-Z and FimH, in order to suggest a potent inhibitor against bacterial function. docking verification has shown a good affinity of some chemical compounds from REOs with target receptor protein explaining the assessed biological activities [ABSTRACT FROM AUTHOR]

Cooperative catalysis is a promising approach to enhance the sluggish redox kinetics of lithium polysulfides (LiPSs) for practical lithium–sulfur (Li–S) batteries. However, the elusory synergistic effect among multiple active sites makes it challenging to accurately customize the electronic structure of catalysts. Herein, a strategy of precisely tailoring eg orbitals of spinel oxides through chemomechanics engineering is porposed to regulate LiPSs retention and catalysis. By manipulating the regulable cations in MnxCo3‐xO4, it is theoretically and experimentally revealed that the lattice strain induced by the Jahn–Teller active and high‐spin Mn3+ at octahedral (Oh) sites can increase the eg occupancy of low‐spin Co3+Oh, which effectively regulates the chemical affinity toward LiPSs and establishes an unblocked channel for intrinsic charge transfer. This leads to a volcano‐type correlation between the eg occupancy at Oh sites and sulfur redox activity. Benefitting from the cooperative catalysis of dual‐active sites, MnCo2O4 with an average eg occupancy of 0.45 affords the most appropriate adsorption strength and rapid redox kinetics toward LiPSs, leading to remarkable rate performance and capacity retention for the assembled Li–S batteries. This work demonstrates the promise of chemomechanics engineering for optimizing the eg occupancy to achieve efficient sulfur redox catalysts. [ABSTRACT FROM AUTHOR]

Fluorometric method for detecting of five nitrogen-based drugs concentration based on inhibition of emission Eosin Y (EY). The selection of N-drugs comprised indapamide (INDP), clomipramine hydrochloride (CMI), promethazine hydrochloride (PMH), lisinopril (LSP), and trifluoperazine hydrochloride (TFPH). The Stern–Volmer style was plotted between relative emissions of EY vs. N-drugs concentration. The standard curves were linear over the concentration range of 5–50 µg mL−1 with R2 > 0.9, and the LOD for INDP, CMI, PMH, LSP, and TFPH were 2.07, 1.36, 3.02, 3.52, and 2.09 µmol·L−1, respectively. The binding constant K a p p for LSP was greater than other N-drugs. Furthermore, the suggested method was hence applied for the routine detection of the concentration of N-drugs in bulk and tablet or syrup dosage forms. FTIR analysis and the electron-mapping density provided the chemical affinity of N-drugs towards EY. [ABSTRACT FROM AUTHOR]

The earth thermal conditions increase exposure to sunlight, triggering skin damage. The skin has defense mechanisms but needs additional protection to prevent photoaging. Using sunscreen is an effort to reduce the harmful effects of sun exposure. Natural ingredients with antioxidant activity can be developed into sunscreen and antiaging products, including cloves. This study aims to assess the antioxidant, sun protection, and anti-aging properties of essential oils derived from clove leaves and buds. The antioxidant activity was assessed by the DPPH system and then formulated into 5 and 10 % clove leaves cream, as well as 5 and 10 % clove bud cream. The SPF values were assessed using a spectrophotometer and the Mansur formula. The antiaging potential was assessed using the in silico method with MMP-1 protein employing the Auto Dock Vina software, followed by analysis and visualization using BIOVIA Discovery Studio. The essential oils from clove leaves and buds have DPPH IC50 values of 23.09 and 30.31 ppm. The SPF values of clove leaves essential oil, 5 % leaves cream, and 10 % leaves cream are 38.61, 14.32, and 22.15. Meanwhile, the SPF values of clove bud essential oil, 5 % bud cream, and 10 % bud cream are 38.19, 9.32, and 18.16. The in silico test revealed that caryophyllene, eugenol, humulene, and phenol, 2-methoxy-4-(2-propenyl), acetate) have strong interactions because they can interact with the active site of proteins using hydrogen, hydrophobic, and van der Waals bonds. The essential oils from clove leaves and buds exhibit very strong antioxidant activity and offer ultra-protection as a sunscreen. The cream formulations still exhibit sunscreen activity, albeit at a lower level compared to pure essential oil. Caryophyllene, eugenol, humulene, and phenol, 2-methoxy-4-(2-propenyl)-, acetate), have potential as antiaging agents, as indicated by their binding affinity and chemical bond interactions observed in the in silico test. [ABSTRACT FROM AUTHOR]

In this study, we achieved the biosynthesis of novel 7–8 nm iron-oxide nanoparticles in the presence of different concentrations (5 to 50% w/v) of commercial white quinoa extract. Initially, quinoa extract was prepared at various concentrations by a purification route. The biosynthesis optimization was systematically monitored by X-ray diffraction, and the Rietveld quantitative analysis showed the presence of goethite (5 to 10 wt.%) and maghemite phases. The first phase disappeared upon increasing the organic loading (40 and 50% w/v). The organic loading was corroborated by thermogravimetric measurements, and it increased with quinoa extract concentration. Its use reduces the amount of precipitation agent at high quinoa extract concentrations with the formation of magnetic nanoparticles with hard ferrimagnetic character (42 and 11 emu g−1). The enrichment of hydroxyl groups and the negative zeta potential above pH = 7 were corroborated by a reduction in the point of zero charge in all the samples. For alkaline values, the zeta potential values were above the stability range, indicating highly stable chemical species. The evidence of hydroxyl and amide functionalization was qualitatively observed using infrared analysis, which showed that the carboxyl (quercetin/kaempferol), amide I, and amide III chemical groups are retained after biosynthesis. The resultant biosynthesized samples can find applications in environmental remediation due to the affinity of the chemical agents present on the particle surfaces and easy-to-handle them magnetically. [ABSTRACT FROM AUTHOR]

Magnesium alloys have attracted significant research attention due to their impressive mechanical properties, such as machinability, a high strength-to-weight ratio, and low density compared to aluminium and steel. Due to the above properties, Mg alloys have a wide range of applications in the field of biomedical applications such as vascular stents and fixatives, aircraft fuselage, micro-electro-mechanical systems (MEMS), and automotive industries. The current work focused on the performance of uncoated and AlTiN-coated micro end-mill cutters having a diameter of 0.5 mm and two flutes in the development of machined surface morphology of AZ31B magnesium alloy and the analysis of cutting forces under the varying spindle speeds of 20,000, 40,000, and 65,000 rpm and feeds of 0.5, 2, and 4 µm/tooth. In general, the results indicated that the uncoated tools consistently resulted in lower values of cutting forces (Fx, Fy and Fz), and surface roughness than with AlTiN-coated tools under all conditions of machining. This could be attributed to the increase in cutting edge radius due to the deposition of the coating resulting in rubbing and ploughing to become predominant. Adhesion of work materials during machining using the AlTiN-coated tool was explained by the chemical affinity of aluminium of the coating towards Mg alloys. After careful analysis of the results, relatively low cutting forces were noticed, and due to the absence of tool wear, there was no significant variation in surface roughness with an increase in cutting length up to 60 mm. [ABSTRACT FROM AUTHOR]

Copyright of Coal Geology & Exploration is the property of Xian Research Institute of China Coal Research Institute and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Highlights By incorporating nanomaterials into polymer matrices, nanocomposites can be produced with enhanced properties, combining the ease of processing thermoplastics with the superior physical characteristics of nanoparticles. In this study, fully bio‐based polyamide 1010 was used as the polymer matrix, with graphene oxide (GO), hexagonal‐boron nitride (h‐BN), and molybdenum disulfide (MoS2), both individually and in hybrids, serving as fillers. The tensile behavior of these nanocomposites was evaluated at room temperature and −40 °C, along with their morphology and microstructure. Results showed that the nanomaterials slightly shifted the polymer's crystallization temperature upward, indicating a small nucleating effect, but also hindered the development of crystalline domains, reducing the crystallization kinetics. Despite no change in the final crystalline form, nanocomposites with h‐BN and MoS2 showed lower microstructural order as evidenced by XRD. Regarding tensile behavior, GO provided the greatest toughening at room temperature due to its larger lateral dimensions and good chemical affinity with the matrix. However, at low temperatures, h‐BN‐based nanocomposites maintained the toughening effect better than GO‐based ones. This can be attributed to the lower order of the polymer's semi‐crystalline structure promoted by h‐BN, allowing greater energy dissipation. Surprisingly, hybrid fillers did not exhibit synergistic effects, with one nanomaterial hampering the effect of the other. However, SEM analysis indicated that the fracture mechanisms of the nanocomposites remained unchanged from the neat polymer, which makes them interesting options for applications that require desirable mechanical properties at a wide temperature range. GO showed the best toughening of polyamide 1010 at room temperature. Toughening at room temperature is mainly due to nanomaterials physical traits. Most nanofillers lowered polyamide's overall microstructural order. Toughening at −40 °C is mainly due to lower microstructural order. [ABSTRACT FROM AUTHOR]

The difference on inhibitory effects of bioflavonoids inhibiting XOD activity assayed by varying test methods cause of us to be further in consideration. The reported test method creating a micro‐environment surrounding XOD in the absence of ⋅O2−, which is seemly different from the assay in vivo. So, the vitro test method for assaying XOD activity is necessary to be improved for selection of potential inhibitors in the presence of ⋅O2−. The inhibitory results demonstrated that bioflavonoids of MY, DMY, QUE and LUT are capable to be on effective IC50 values, but others are not. As well, their resulting inhibitions determined by the improved test method are much less than that reported in the literature, indicating that their chemical affinities with XOD become weaker. Moreover, DMY assayed on the inhibitions of XOD in the improved test method performs to be a better inhibitor, as compared to the assay of the reported test methods. Abasing on the transformation of DMY into MY in the presence of ⋅O2−, the good inhibition of DMY on XOD activity can be explained by the synergistic effect of MY. [ABSTRACT FROM AUTHOR]

An investigation has been performed to study the compatibility of machining AZ91 magnesium alloy in dry conditions using uncoated and CVD diamond-coated WC-Co inserts. The machining characteristics such as built-up edge (BUE) formation, surface roughness, cutting forces and chip morphology were studied at the cutting speeds, 350, 650 and 950 m/min. The results revealed severe adhesion of the AZ91 Mg alloy on the uncoated WC-Co inserts with increasing cutting speed and contributed to an increase in surface roughness and cutting forces. The CVD diamond-coated inserts have shown negligible built-up edges at various cutting speeds due to their unique properties like low coefficient of friction, low chemical affinity and high thermal conductivity. Snarled types of long continuous chips were observed while machining with CVD diamond-coated WC-Co inserts, whereas short continuous chips were observed with uncoated WC-Co inserts. [ABSTRACT FROM AUTHOR]

Refining the grain size of the as-casted hypoeutectic Al–Si alloys is an established technique for improving their mechanical properties. This work is based on the development of a novel La-riched grain refiner, i.e., Al–3Ti–4.35La, which exhibited remarkable efficiency for grain refinement from 1.46 mm into ~ 0.1 mm (with 0.2 wt pct of the refiner), increasing both tensile strength, yield strength, elongation and hardness from 154.3 MPa, 64.5 MP, 5.83 pct, and 54.8 HV to 178.3 MPa (an enhancement of 15.6 pct), 77.5 MPa(an enhancement of 20.2 pct), 12.02 pct (an enhancement of 106.0 pct), and 58.4 HV (an increase of 6.6 pct), respectively. The in situ formation of the Ti2Al20La phase served as the nucleus for α-Al during solidification. The segregation of trace Si and La atoms at the interface indicates their chemical affinity with a relatively lower energy configuration, which is consistent with the first-principles calculations. The results of this study offer an innovative approach for attaining considerable grain refinement in Al–7Si alloys by constructing rare-earth grain refiners. [ABSTRACT FROM AUTHOR]

For lithium‐sulfur batteries (Li‐S batteries), a high‐content electrolyte typically can exacerbate the shuttle effect, while a lean electrolyte may lead to decreased Li‐ion conductivity and reduced catalytic conversion efficiency, so achieving an appropriate electrolyte‐to‐sulfur ratio (E/S ratio) is essential for improving the battery cycling efficiency. A quasi‐solid electrolyte (COF‐SH@PVDF‐HFP) with strong adsorption and high catalytic conversion was constructed for in situ covalent organic framework (COF) growth on highly polarized polyvinylidene fluoride‐hexafluoropropylene (PVDF‐HFP) fibers. COF‐SH@PVDF‐HFP enables efficient Li‐ion conductivity with low‐content liquid electrolyte and effectively suppresses the shuttle effect. The results based on in situ Fourier‐transform infrared, in situ Raman, UV–Vis, X‐ray photoelectron, and density functional theory calculations confirmed the high catalytic conversion of COF‐SH layer containing sulfhydryl and imine groups for the lithium polysulfides. Lithium plating/stripping tests based on Li/COF‐SH@PVDF‐HFP/Li show excellent lithium compatibility (5 mAh cm−2 for 1400 h). The assembled Li‐S battery exhibits excellent rate (2 C 688.7 mAh g−1) and cycle performance (at 2 C of 568.8 mAh g−1 with a capacity retention of 77.3% after 800 cycles). This is the first report to improve the cycling stability of quasi‐solid‐state Li‐S batteries by reducing both the E/S ratio and the designing strategy of sulfhydryl‐functionalized COF for quasi‐solid electrolytes. This process opens up the possibility of the high performance of solid‐state Li‐S batteries. [ABSTRACT FROM AUTHOR]

Fluorometric method for detecting of five nitrogen-based drugs concentration based on inhibition of emission Eosin Y (EY). The selection of N-drugs comprised indapamide (INDP), clomipramine hydrochloride (CMI), promethazine hydrochloride (PMH), lisinopril (LSP), and trifluoperazine hydrochloride (TFPH). The Stern–Volmer style was plotted between relative emissions of EY vs. N-drugs concentration. The standard curves were linear over the concentration range of 5–50 µg mL−1 with R2 > 0.9, and the LOD for INDP, CMI, PMH, LSP, and TFPH were 2.07, 1.36, 3.02, 3.52, and 2.09 µmol·L−1, respectively. The binding constant Kapp for LSP was greater than other N-drugs. Furthermore, the suggested method was hence applied for the routine detection of the concentration of N-drugs in bulk and tablet or syrup dosage forms. FTIR analysis and the electron-mapping density provided the chemical affinity of N-drugs towards EY.

Tetrahydrofuran (THF) hydrate is a useful material for cold storage applications and an excellent substitute for simulating natural gas hydrates. THF also serves as a thermodynamic promoter for hydrate formation. The selection of suitable THF concentration in the aqueous solution remains a challenging task for the utilization of the THF hydrate. Present work focuses on the influence of non-stoichiometric solutions on THF hydrate growth. The THF hydrate was grown in polycrystalline form as a gross hydrate layer from the wall towards the center of a cylindrical reactor. Experiments were conducted at the three THF concentrations 19.06, 30, and 15 wt% at 276.15 K and atmospheric pressure. Transient imaging of the hydrate provided the hydrate thickness with time. Moreover, the chemical affinity model was used to analyze the hydrate formation kinetics. An increase in the concentration of the THF in bulk solution accelerated hydrate growth with time. We found that non-homogeneity in the THF hydrate front increased in the azimuthal direction if the concentration of THF in the THF-water solution deviated from stoichiometric concentration. A hypothesis was also proposed to explain the above observation. The non-homogeneity was qualitatively shown by binary images and mathematically quantified using the maximum to minimum hydrate thickness ratio. The chemical affinity model proved effective in describing hydrate growth kinetics. [ABSTRACT FROM AUTHOR]

An editorial focuses on the synthesis, properties, and applications of gel materials, particularly hydrogels and aerogels, in adsorption and removal technologies. It highlights advancements in the development of functional hydrogels for wastewater treatment, including methods to enhance their adsorption capabilities and mechanical properties. It also discusses the use of aerogels in gas purification, emphasizing their unique structural advantages.

Fiber‐based products constitute a significant portion of plastic waste and cause environmental damage. In particular, discarded sanitary masks and fishing gear disintegrate into microfiber plastics, posing a significant threat to human health and ecosystems. In this study, we developed robust biodegradable nanocomposite fibers of poly(butylene adipate‐co‐terephthalate) (PBAT)/cellulose nanocrystals (CNCs) (1 and 2 wt%) through dry‐jet wet spinning, by using dimethyl sulfoxide (DMSO) as a common solvent. The control PBAT fibers exhibit remarkable mechanical performance with tensile strength and toughness of 160.0 MPa and 43.0 MJ m−3, respectively. CNC addition has a toughening effect with slightly reduced strength but enhanced toughness (148.8 MPa and 69.0 MJ m−3, respectively, for 2 wt% CNC); their mechanical performances are superior to those of previously reported PBAT‐based materials. The remarkable performance of the fibers is attributed to a highly oriented structure with a total draw ratio of 15 after post‐hot drawing. The control and nanocomposite fibers exhibit spot‐like patterns in 2D wide‐angle x‐ray diffraction patterns with Herman's orientation factor of 0.54–0.58. The theoretical Hansen solubility parameter confirmed the poor chemical affinity between the PBAT and CNC. Nonetheless, the rheological characterization revealed that well‐dispersed CNCs with DMSO produced a physical network in the PBAT matrix, resulting in the toughening effect. Such robust nanocomposite fibers consisting of fully biodegradable components are promising alternatives to nondegradable nylon and polyester fibers. Highlights: Robust biodegradable nanocomposite fibers of PBAT and CNC are prepared.Nanocomposite fibers are dry‐jet wet spun using DMSO as a common solvent.PBAT fibers exhibit strength and toughness of 160.0 MPa and 43.0 MJ m−3.2 wt% CNC toughens the PBAT fibers with an enhanced toughness of 69.0 MJ m−3.Rheological results confirm the toughening effect of well‐dispersed CNC in PBAT. [ABSTRACT FROM AUTHOR]

Plasmonic materials can generate strong electromagnetic fields to boost the Raman scattering of surrounding molecules, known as surface-enhanced Raman scattering. However, these electromagnetic fields are heterogeneous, with only molecules located at the 'hotspots', which account for ≈ 1% of the surface area, experiencing efficient enhancement. Herein, we propose patterned plasmonic trimers, consisting of a pair of plasmonic dimers at the bilateral sides and a trap particle positioned in between, to address this challenge. The trimer configuration selectively directs probe molecules to the central traps where 'hotspots' are located through chemical affinity, ensuring a precise spatial overlap between the probes and the location of maximum field enhancement. We investigate the Raman enhancement of the Au@Al2O3-Au-Au@Al2O3 trimers, achieving a detection limit of 10−14 M of 4-methylbenzenethiol, 4-mercaptopyridine, and 4-aminothiophenol. Moreover, single-molecule SERS sensitivity is demonstrated by a bi-analyte method. Benefiting from this sensitivity, our approach is employed for the early detection of lung tumors using fresh tissues. Our findings suggest that this approach is sensitive to adenocarcinoma but not to squamous carcinoma or benign cases, offering insights into the differentiation between lung tumor subtypes. SERS spectroscopy critically relies on the accumulation of analyte molecules in electromagnetic 'hotspots'. Here, the authors demonstrate plasmonic trimers with central particles that act as chemical traps, enabling the subtyping of lung tumors using fresh tissue samples. [ABSTRACT FROM AUTHOR]

Biological ion channels exhibit high selectivity and permeability of ions because of their asymmetrical pore structures and surface chemistries. Here, we demonstrate a biomimetic nanofluidic channel (BNC) with an asymmetrical structure and glycyl-L-proline (GLP) -functionalization for ultrafast, selective, and unidirectional Dy3+ extraction over other lanthanide (Ln3+) ions with very similar electronic configurations. The selective extraction mainly depends on the amplified chemical affinity differences between the Ln3+ ions and GLPs in nanoconfinement. In particular, the conductivities of Ln3+ ions across the BNC even reach up to two orders of magnitude higher than in a bulk solution, and a high Dy3+/Nd3+ selectivity of approximately 60 could be achieved. The designed BNC can effectively extract Dy3+ ions with ultralow concentrations and thereby purify Nd3+ ions to an ultimate content of 99.8 wt.%, which contribute to the recycling of rare earth resources and environmental protection. Theoretical simulations reveal that the BNC preferentially binds to Dy3+ ion due to its highest affinity among Ln3+ ions in nanoconfinement, which attributes to the coupling of ion radius and coordination matching. These findings suggest that BNC-based ion selectivity system provides alternative routes to achieving highly efficient lanthanide separation. Separation of rare-earth ions is challenging due to their chemical and physical similarities. Here, the authors fabricate a biomimetic nanofluidic channel featuring an asymmetrical structure functionalized with glycyl-L-proline for selective and unidirectional extraction of dysprosium ions. [ABSTRACT FROM AUTHOR]

Lithium‐sulfur (Li‐S) batteries are considered a competitive next‐generation electrochemical energy storage device, while the shuttle effect of soluble lithium polysulfides (LiPSs) resulting from the sluggish redox kinetics severely impedes their practical applications. Herein, a novel cation doping strategy is demonstrated for substantially accelerating the sulfur redox kinetics on the transition metal sulfide (TMS) electrocatalysts by partially substituting cobalt atoms with in situ dissolved Ni dopants (NixCo3‐xS4, 0

The diffusion and loss of lithium polysulfides (LiPSs) in lithium-sulfur batteries (LSBs) reduce the sulfur utilization rate and the catalytic conversion efficiency of sulfur species, resulting in early battery failure. Li2ZnTi3O8 (LZTO), characterized by its stable spinel structure, exhibits high Li+ conductivity and holds great potential as an effective adsorbent for LiPSs. This study proposes a collaborative design concept of LZTO host-separator modifier, which offers a complementary and matching approach in the cathode side, effectively addressing the challenges associated with dissolution and inadequate conversion of LiPSs. Density functional theory (DFT) calculation substantiates the pronounced chemical affinity of LZTO towards LiPSs. More importantly, the high efficiency ion transport channels are achieved in separator coating due to the presence of the LZTO particles. Furthermore, the catalytic efficacy of LZTO is validated through meticulous analysis of symmetric batteries and Tafel curves. Consequently, the LZTO host-separator modifier-based cell displays satisfactory rate capability (1449 and 1166 mAh·g−1 at 0.1 and 0.5 C) and an impressively capacity (606 mAh·g−1 after 500 cycles at 1 C). The coordinated strategy of host-separator modifier is supposed to have wide applications in LSBs. [ABSTRACT FROM AUTHOR]

A brief review and analysis of research on the relationship between the chemical affinity and the kinetic characteristics of chemical reactions are presented. It is noted that there is a lack of experimental data necessary for the development of the theory, including for correlating the affinity of the chemical process with its rate. Some tendencies of variation of the chemical affinity, as well as the kinetic coefficients correlating the reaction path with its affinity, are considered using the experimental data obtained by the authors on a system with ester synthesis as an example. The potential for developing research in this area is shown. [ABSTRACT FROM AUTHOR]

This study introduces an innovative approach to enhance cotton fibers with integrated self-cleaning and antibacterial properties. By combining the potential of carbon quantum dots (CQDs) and silver nanoparticles (AgNPs), a distinct fabric modification strategy is developed. The synthesis mechanism of CQDs is outlined, alongside fabric activation using benzenesulfonyl chloride and triethylamine. The process of depositing CQDs and AgNPs onto the fabric surface is explained, emphasizing the importance of surface interactions and chemical affinity. Comprehensive characterization techniques, including scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), and X-ray diffraction (XRD) were done to confirm the successful coating and nanoparticle integration. The confirmation of nanoparticles on the cotton fabric surface and subsequent results indicate an exceptional 128% increase in degradation activity compared to untreated fabric, coupled with significant enhancement in antibacterial efficacy against both Gram-positive and Gram-negative bacteria. In this report, the development of advanced multifunctional cotton fibers with improved stain resistance, self-cleaning capability, and enhanced antibacterial efficacy has been investigated. [ABSTRACT FROM AUTHOR]

Targeted alpha therapy (TAT) relies on chemical affinity or active targeting using radioimmunoconjugates as strategies to deliver α-emitting radionuclides to cancerous tissue. These strategies can be affected by transmetalation of the parent radionuclide by competing ions in vivo and the bond-breaking recoil energy of decay daughters. The retention of α-emitting radionuclides and the dose delivered to cancer cells are influenced by these processes. Encapsulating α-emitting radionuclides within nanoparticles can help overcome many of these challenges. Poly(lactic-co-glycolic acid) (PLGA) nanoparticles are a biodegradable and biocompatible delivery platform that has been used for drug delivery. In this study, PLGA nanoparticles are utilized for encapsulation and retention of actinium-225 ([225Ac]Ac3+). Encapsulation of [225Ac]Ac3+ within PLGA nanoparticles (Zave = 155.3 nm) was achieved by adapting a double-emulsion solvent evaporation method. The encapsulation efficiency was affected by both the solvent conditions and the chelation of [225Ac]Ac3+. Chelation of [225Ac]Ac3+ to a lipophilic 2,9-bis-lactam-1,10-phenanthroline ligand ([225Ac]AcBLPhen) significantly decreased its release (< 2%) and that of its decay daughters (< 50%) from PLGA nanoparticles. PLGA nanoparticles encapsulating [225Ac]AcBLPhen significantly increased the delivery of [225Ac]Ac3+ to murine (E0771) and human (MCF-7 and MDA-MB-231) breast cancer cells with a concomitant increase in cell death over free [225Ac]Ac3+ in solution. These results demonstrate that PLGA nanoparticles have potential as radionuclide delivery platforms for TAT to advance precision radiotherapy for cancer. In addition, this technology offers an alternative use for ligands with poor aqueous solubility, low stability, or low affinity, allowing them to be repurposed for TAT by encapsulation within PLGA nanoparticles. [ABSTRACT FROM AUTHOR]

Knowledge of the rates of dissolution of rock-forming minerals close to equilibrium and their dependence on Δ G r , the Gibbs free energy of reaction, is essential for describing the temporal and spatial evolution of many environmental and engineering processes involving solid/fluid interactions. In the present study we used the isotope-doping method to quantify albite forward and net dissolution rates. Batch experiments were performed at 150, 180 °C and pH = 9 at near equilibrium and equilibrium conditions (-25 ≤ Δ G r ≤ + 8.2 kJ/mol) in 29Si spiked solutions which were undersaturated with the secondary Al-Si solid phases likely to precipitate. The forward dissolution rates normalized to the initial BET surface area were found to decrease continuously and monotonically with increasing time and Δ G r , achieving values 1.3 to 2.4 orders of magnitude lower at chemical equilibrium than initial far from equilibrium values, with the highest rate decrease for the highest solid to fluid ratio. These rate drops were accompanied by an increase in BET specific surface areas associated with the formation of widespread dissolution features. A decrease of albite forward dissolution rate together with an increase of its BET surface area was also observed as a function of reaction time at far from equilibrium conditions (Δ G r ≤ − 65 kJ/mol). These observations are consistent with a continuous decrease with time and increasing Δ G r of albite effective surface area linked to the formation of unreactive negative crystal facets, in addition to etch pits stopping nucleating above a critical value of Δ G r. Thus, the observed decrease in albite dissolution rate as equilibrium is approached is not linked primarily to the increase in the contribution of the backward reaction but rather to the decrease of the forward reaction rate in conjunction with the decrease in the density of reactive sites at the mineral surface. The results of this study show that the characterization of the effective surface area and its evolution with reaction time and chemical affinity is crucial to deriving robust dissolution rates of well-crystallized minerals like feldspars. Dissolution experiments in 29Si spiked solutions of samples with different history and well-characterized effective surface area and surface morphology should help to better quantify the rate laws controlling silicate minerals weathering. [ABSTRACT FROM AUTHOR]

Viral pathogens pose a substantial threat to public health and necessitate the development of effective remediation and antiviral strategies. This short communication aimed to investigate the antiviral efficacy of disinfectants on the surface proteins of human pathogenic viruses. Using in silico modeling, the ligand-binding energies (LBEs) of selected disinfectants were predicted and combined with their environmental impacts and costs through an eco-pharmaco-economic analysis (EPEA). The results revealed that the binding affinities of chemical disinfectants to viral proteins varied significantly (p < 0.005). Rutin demonstrated promising broad-spectrum antiviral efficacy with an LBE of −8.49 ± 0.92 kcal/mol across all tested proteins. Additionally, rutin showed a superior eco-pharmaco-economic profile compared to the other chemicals, effectively balancing high antiviral effectiveness, moderate environmental impact, and affordability. These findings highlight rutin as a key phytochemical for use in remediating viral contaminants. [ABSTRACT FROM AUTHOR]

Multi-material additive manufacturing (MMAM) takes full advantage of the ability to arbitrarily place materials of additive manufacturing technology, enabling immense design freedom and functional print capabilities. Among MMAM technologies, projection stereolithography (PSL) exhibits a great balance of high resolution and fast printing speed. However, fabrication accuracy of multi-material PSL is hindered by large overcure used to strengthen interfacial bonding weakened by chemical affinity and material-exchange process. We present a novel multi-step exposure method for multi-material PSL process to overcome this shortcoming. Firstly, the whole layer is moderately exposed producing overcure of single-material PSL level to generate geometries. Then weakened interfaces are strengthened individually with additional steps of exposure. The multi-step exposure is integrated into the already efficient materials printing order of multi-material PSL process. Curing depth and overcure of photocurable resins are modeled and characterized. Exposure required to achieve sufficient interfacial bonding of single-material interfaces built through material-exchange process and multi-material interfaces with altering materials printing order is determined with tensile tests. Microfluidic channels are used to compare fabrication accuracy of traditional single-step exposure and our multi-step exposure method. This method can be widely applied in multi-material PSL to improve fabrication accuracy in a variety of applications including microfluidic devices. [ABSTRACT FROM AUTHOR]

Copyright of Diamond & Abrasives Engineering is the property of Zhengzhou Research Institute for Abrasives & Grinding and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The document discusses the development of nanomaterials for adsorption, separation, and purification processes to address environmental challenges such as water treatment, air purification, and industrial separations. Various studies highlighted in the Special Issue demonstrate the effectiveness of nanomaterials in removing contaminants like heavy metals, organic pollutants, and toxic gases. Nanomaterials offer high efficiency, selectivity, and sustainability, surpassing traditional methods and showing promise for future applications in environmental protection and sustainability efforts. [Extracted from the article]

Asymmetrically coordinated single‐atom catalysts are attractive for the implementation of high‐performance lithium–sulfur (Li─S) batteries. However, the design principle of the asymmetric coordination that can efficiently promote bidirectional conversion of polysulfides has not been fully realized. Herein, a series of Co─N3X1 (X refers to F, O, Cl, S, or P) configurations are established, and theoretically unravel that the relative electronegativity value (REV) can be used as an index parameter for characterizing the catalytic activity. By virtue of enhanced chemical affinity with sulfur species and lowered Li2S decomposition, chlorine‐atom‐constructed asymmetric configurations with an optimal REV exhibit stronger catalytic effect to inhibit shuttling. Such a REV‐related catalytic effect is termed as REV effect. Following this principle, a novel single‐atom catalyst with dominated Co─N3Cl1 configuration is successfully synthesized through an inside‐out thermal reaction strategy and used as a modified layer on the cathode‐side separator. Interestingly, the assembled Li─S batteries exhibit quite high rate capacity (804.3 mAh g−1 at 5.0 C), durable cyclability (0.023% capacity decay per cycle), and competitive areal capacity (7.0 mAh cm−2 under 7.5 mg cm−2 sulfur loading and lean electrolyte). The guideline provided in this work gives impetus to the pursuit of highly efficient single‐atom catalysts for practical Li─S batteries. [ABSTRACT FROM AUTHOR]

Recent developments in sequencing and bioinformatics have advanced our understanding of adenosine‐to‐inosine (A‐to‐I) RNA editing. Surprisingly, recent analyses have revealed the capability of adenosine deaminase acting on RNA (ADAR) to edit DNA:RNA hybrid strands. However, edited inosines in DNA remain largely unexplored. A precise biochemical method could help uncover these potentially rare DNA editing sites. We explore maleimide as a scaffold for inosine labeling. With fluorophore‐conjugated maleimide, we were able to label inosine in RNA or DNA. Moreover, with biotin‐conjugated maleimide, we purified RNA and DNA containing inosine. Our novel technique of inosine chemical labeling and affinity molecular purification offers substantial advantages and provides a versatile platform for further discovery of A‐to‐I editing sites in RNA and DNA. [ABSTRACT FROM AUTHOR]

Accelerating catalytic conversion of lithium polysulfides (LiPSs) is a promising way to address the shuttle effect of lithium-sulfur (Li-S) batteries but remains a challenge to date. Herein, a universal metal-organic framework (MOF)-confined strategy is proposed to fabricate atomically dispersed metal catalysts (ADMCs) with the help of ethylenediaminetetraacetic acid (EDTA) toward fast redox conversion in Li-S batteries. In the synthesis, the EDTA acts as not only the coupling agent for the chemical bonding with unsaturated sites of MOF but also the chelating agent for metal ion capture and further confining them into MOF. As a proof of concept, the ADMCs made of transition metal sites anchored on MOF-808 (named MOF-808-M, M = Fe, Co, Ni, Cu, Zn, etc.) are obtained, with well-defined M-N[sub 2]O[sub 2] configurations. The in-depth experiments and theoretical calculations reveal that the atomically dispersed M-N2O2 sites are capable of enhancing the chemical affinity of MOF-808-M toward LiPSs and further accelerating their redox conversion by reducing the energy barrier of the rate-limiting step. As a result, the assembled Li-S batteries with S@MOF-808-M cathode, represented by S@MOF-808-Zn exhibit a high reversible specific capacity of 1192 mAh g-1 at 0.1 C, excellent rate capability of 599 mAh g-1 at 2 C, and remarkable long-term cycling stability with a capacity retention rate of 94.6% after 300 cycles at 1 C. Moreover, the high areal capacity of 4.79 mAh cm-2 at 0.2 C with a sulfur loading of 5.14 mg cm-2 for S@MOF-808-M cathode can be achieved. This work presents a universal strategy to fabricate ADMCs with well-defined active centers by combining the advantages of MOF for Li-S batteries. [ABSTRACT FROM AUTHOR]

Hierarchical 3D architecture of nanoplatelets, also known as foams, has arisen as a promising alternative to overcome agglomeration and promote mechanical reinforcement and electrical and thermal conductivity of polymer composites. Freeze‐drying is a cost‐effective method to manufacture foams with different structures and tailored thermal and electrical properties. This study used freeze‐drying to produce graphene (GNP), boron‐nitride (BNNP), and hybrid foams of different ratios. The interaction between these structures and high‐temperature epoxy grade was investigated via contact angle analysis. The foams were also infiltrated with epoxy to achieve a fully dense nanocomposite. The contact angle monitoring reveals solid loading content, composition, and structure as the main factors affecting wettability. Despite the slight variation in porosity among the foams, all the samples achieved a densification above 96%, suggesting that the epoxy viscosity of 2.34 Pa∙s combined with optimized infiltration parameters can successfully produce dense nanocomposites. The contact angle analysis is a suitable method to compare the infiltration quality of freeze‐dried foams and can be applied to evaluate the production feasibility of other polymer/foam nanocomposites. Furthermore, preliminary thermal data shows a clear temperature increase for the epoxy/foam structures, with GNP and 50:50 GNP:BNNP being the most thermally conductive compositions. This study serves as a starting point for freeze‐dried foams/polymer nanocomposite investigation and may broaden the possibilities for manufacturing and future application of these structures. Highlights: The freeze‐dried foams were successfully fabricated and infiltrated with high‐temperature epoxy, obtaining densifications above 96%.The main factors affecting infiltration are foam morphology, porosity, and chemical affinity between polymer and foam platelets.Thermal conductivity has significantly improved by adding GNP and BNNP foam network to epoxy matrix. [ABSTRACT FROM AUTHOR]

Background: Cucurbitacins are present in some common vegetables as secondary metabolites and are used by the plants against harmful microbes. Exploration of this capability of natural product based substances against wide variety of microbes seems relevant due to the ease of availability of the resources and safety. In this regard, considering the current pandemic, the antiviral properties of these molecules with a subset of Cucurbitacin I structural derivatives have been screened. The inhibition potential of the phytochemicals was assessed by the stability of the protein–ligand complex formed with the nucleocapsid protein (PDB ID: 7CDZ) of SARS-CoV-2 by computational methods. The proposition of an alternate antiviral candidate that is cost-effective and efficient relative to existing formulations is the main objective of this work. Results: Server-based molecular docking experiments revealed CBN19 (PubChem CID: 125125068) as a hit candidate among 101 test compounds, a reference molecule (K31), and 5 FDA-approved drugs in terms of binding affinities sorted out based on total energies. The molecular dynamics simulations (MDS) showed moderate stability of the protein-CBN19 complex as implied by various geometrical parameters RMSD, Rg, RMSF, SASA and hydrogen bond count. The ligand RMSD of 3.0 ± 0.5 Å, RMSF of Cα of protein with less than 5 Å, and smooth nature of SASA and Rg curves were calculated for the adduct. The binding free energy (− 47.19 ± 6.24 kcal/mol) extracted from the MDS trajectory using the MMGBSA method indicated spontaneity of the reaction between CBN19 and the protein. The multiple ADMET studies of the phytochemicals predicted some drug-like properties with minimal toxicity that mandate experimental verification. Conclusions: Based on all the preliminary in silico results, Cucurbitacin, CBN19 could be proposed as a potential inhibitor of nucleocapsid protein theoretically capable of curing the disease. The proposed molecule is recommended for further in vitro and in vivo trials in the quest to develop effective and alternate therapeutics from plant-based resources against COVID-19. [ABSTRACT FROM AUTHOR]

Théophile De Donder, a Belgian mathematician born in Brussels, elaborated two important ideas that created a bridge between thermodynamics and chemical kinetics. He invented the concept of the degree of advancement of a reaction, and, in 1922, he provided a precise mathematical form to the already known chemical affinity by translating Clausius's uncompensated heat into formal language. These concepts merge in an important inequality that was the starting point for the formalization of non-equilibrium thermodynamics. The present article aims to reconstruct how De Donder elaborated his ideas and developed them by exploring his teaching activity and its connection with his scientific production. Furthermore, it emphasizes the role played by the discussions with his disciples who became his collaborators. The paper analyzes De Donder's efforts in participating in the second Solvay Chemistry Council in 1925 to call the attention of chemists to his mathematical approach. We explain why his work did not receive much attention at the time, and how, despite this, his formalization of chemical affinity became the basis for the birth of the so-called Brussels school of thermodynamics. [ABSTRACT FROM AUTHOR]

This article explores the history of the study of chemical affinity and the transition from empirical knowledge to theoretical understanding in chemistry. It highlights the lack of philosophical analysis in the history of natural science, particularly in chemistry. The article identifies three qualitative leaps in the study of chemical affinity, which correspond to the transition from empiria to theory. It emphasizes the importance of understanding the structure and general regularities of phenomena in order to achieve a theoretical understanding. The text discusses the problem of explaining phenomena and the transition from empirical to theoretical knowledge. It concludes that theoretical cognition is systematic and involves resolving contradictions and synthesizing various systems of knowledge. The text also discusses the theoretical stage of cognition and its distinction from empirical cognition. It explains that at the pre-theoretical stage, qualitative-formal model conceptions emerge, but they lack necessary connections between general and specific phenomena. The transition from empirical to theoretical cognition occurs through the world picture, which plays a role in constructing a theory. [Extracted from the article]

Precise and accurate determination of equilibrium constants in chemical systems plays a crucial role in understanding their behavior, predicting reactions, and optimizing processes, leading to advancements in materials science, pharmaceuticals, and environmental studies. Various procedures, such as the mole ratio method, continuous variation, and titration, are commonly employed to investigate equilibrium systems and calculate equilibrium constants involving host–guest complexes. However, the impact of different experimental designs on the accuracy and precision of the fitted parameters has not been extensively explored. In this study, we focus on the role of experimental design in monitoring chemical equilibria and its influence on model parameter estimation. The indicator displacement assay and guest displacement assay are investigated as typical monitoring methods, and the optimal experimental design approach is introduced to identify suitable probe systems. The global analysis is also explored to improve parameter estimation by simultaneously fitting multiple datasets. Furthermore, non-regular procedures are examined, demonstrating the potential for robust model fitting with minimal measurements and providing insights into selecting appropriate probe systems. The results indicate that with appropriate design for monitoring equilibrium positions in competitive reactions, the probe equilibrium can differ by several orders of magnitude (more than 3 units) from the target equilibrium constant. Yet, accurate and precise determination of the equilibrium constant can still be achieved. The findings shed light on the importance of optimal experimental design for accurately determining thermodynamic parameters and binding affinities in complex chemical systems. [ABSTRACT FROM AUTHOR]

By studying the various metal ions released from the grinding process, and conducting the flotation test of monazite and symbiotic ore, using zeta potential measurements and FTIR infrared spectrum analysis methods, the influence of metal ions on the surface of monazite and the mechanism of action are obtained. The results showed that the main metal ions in the flotation environment of monazite are Ca2+, Ba2+, and Fe3+. When the pulp pH value was 8, Ca2+, Fe3+, and Ba2+ concentration was 3×10-4 mol/dm³, 3×10-5 mol/dm³, and was 2×10-4 mol/dm³ respectively, and OHA collector dosage was 5×10-4 mol/dm³, while the flotation recoveries of monazite, calcite. And fluorite was above 95 %, 40.43 %, and below 45.32 %, and the recovery rate of barite and bastnaesite in the presence of Ca2+ and Fe3+ is below 54.32 % and 38.68 %, respectively and the effective separation of monazite and symbiotic ore was obtained. The zeta potential measurements showed that when only metal ions are added to monazite, monazite (IEP) shifts to the right, and the negative charge on the surface of monazite decreases, which may be due to the positive charge of metal ions adsorbed on the surface of monazite, increasing the positive charge on the surface of monazite. When Ca2+, Ba2+, Fe3+, and OHA were added to the monazite pulp, the IEP of monazite moved to the left, and the negative charge of monazite shifted to the positive direction as a whole, indicating that Ca2+, Ba2+, and Fe3+ were adsorbed on the surface of monazite and increase the positive charge on the surface of monazite. When the pH value was 7 ~ 10, the surface of monazite was the same as that before and after the action of the agent, and both were negatively charged. At this time, OHA can still adsorb on the calcite, that was, the chemical affinity overcomes the same electric repulsion and adsorbs, so that the potential of the monazite after the action is reduced, which is chemical adsorption. The FTIR showed that when the metal ions Ca2+, Ba2+, and Fe3+ are added to activate the surface of monazite, the peak area of the organic functional group-CH2-CH3 at 3000-2800 cm-1 was enhanced, and a new peak appears at 1382 cm-1. The reason is that the N-O-H functional group of OHA collector was adsorbed on the surface of monazite, and a red shift (44 cm-1) occurs, and a new peak appears at 1454 cm-1. The reason is that the C-N functional group of OHA collector is adsorbed on the surface of monazite. The lone electron pair of the nitrogen atom of the amide group in the OHA forms chelates with Ca2+, Ba2+, and Fe3+ atoms, which further increases the adsorption amount of OHA. This showed that the adsorption of monazite surface by metal ions provides active sites for the adsorption of OHA collectors. These phenomena indicate that the adsorption capacity of OHA on the surface of monazite activated by Ca2+, Ba2+, and Fe3+ is enhanced and a stable five-membered ring metal chelate is formed. Combined with flotation results and zeta potential data, infrared spectroscopy analysis, the adsorption capacity of Ca2+, Ba2+, and Fe3+ activated monazite surface: Fe3+>Ca2+>Ba2+. [ABSTRACT FROM AUTHOR]

Similar to cells, bacteria, and other micro-organisms, synthetic chemically active colloids can harness the energy from their environment through a surface chemical reaction and use the energy to self-propel in fluidic environments. In this paper, we study the chemo-mechanical coupling that leads to the self-propulsion of chemically active colloids. The coupling between chemical reactions and momentum transport is a consequence of Onsager reciprocal relations. They state that the velocity and the surface reaction rate are related to mechanical and chemical affinities through a symmetric matrix. A consequence of Onsager reciprocal relations is that if a chemical reaction drives the motion of the colloid, then an external force generates a reaction rate. Here, we investigate Onsager reciprocal relations for a spherical active colloid that catalyzes a reversible surface chemical reaction between two species. We solve the relevant transport equations using a perturbation expansion and numerical simulations to demonstrate the validity of reciprocal relations around the equilibrium. Our results are consistent with previous studies and highlight the key role of solute advection in preserving the symmetry of the Onsager matrix. Finally, we show that Onsager reciprocal relations break down around a nonequilibrium steady state, which has implications for the thermal fluctuations of the active colloids used in experiments. [ABSTRACT FROM AUTHOR]

Chemical reagents with special groups as enrichable handles have empowered the ability to label and enrich modified peptides. Here is an overview of different chemical reagents with affinity tags to isolate labeled peptides and the latest developments of enrichment strategies. Biotin is the most used affinity tag due to its high interaction with avidin. To decrease the unfavorable influence of biotin for its poor efficiency in ionization and fragmentation in downstream MS analysis, cleavable moieties were installed between the reactive groups and biotin to release labeled peptides from the biotin. To minimize the steric hindrance of biotin, a two-step method was developed, for which alkyne- or azide-tagged linkers were firstly used to label peptides and then biotin was installed through click chemistry. Recently, new linkers using a small phosphonic acid as the affinity tag for IMAC or TiO2 enrichment have been developed and successfully used to isolate chemically labeled peptides in XL-MS. A stable P–C instead of P–O bond was introduced to linkers to differentiate labeled and endogenous phosphopeptides. Furthermore, a membrane-permeable phosphonate-containing reagent was reported, which facilitated the study of living systems. Taking a cue from classic chemical reactions, stable metal-complex intermediates, including cobalt and palladium complexes, have been developed as peptide purification systems. Advanced enrichment strategies have also been proposed, such as the two-stage IMAC enrichment method and biotin-based two-step reaction strategy, allowing the reduction of unwanted peptides and improvements for the analysis of specific labeled peptides. Finally, future trends in the area are briefly discussed. [ABSTRACT FROM AUTHOR]

Hydrogen sulphide (H2S) is a toxic gas soluble in water, H2Saq, as a weak acid. Since H2Saq usually originates from the decomposition of faecal matter, its presence also indicates sewage dumping and possible parallel waterborne pathogens associated with sewage. We here present a low footprint ('frugal') H2Saq sensor as an accessible resource for water quality monitoring. As a sensing mechanism, we find the chemical affinity of thiols to gold (Au) translates to H2Saq. When an Au electrode is used as a control gate (CG) or floating gate (FG) electrode in the electric double layer (EDL) pool of an extended gate field effect transistor (EGFET) sensor, EGFET transfer characteristics shift along the CG voltage axis in response to H2Saq. We rationalise this by the interface potential from the adsorption of polar H2S molecules to the electrode. The sign of the shift changes between Au CG and Au FG, and cancels when both electrodes are Au. The sensor is selective for H2Saq over the components of urine, nor does urine suppress the sensor's ability to detect H2Saq. Electrodes can be recovered for repeated use by washing in 1M HCl. Quantitatively, CG voltage shift is fitted by a Langmuir-Freundlich (LF) model, supporting dipole adsorption over an ionic (Nernstian) response mechanism. We find a limit-of-detection of 14.9 nM, 100 times below potability. [ABSTRACT FROM AUTHOR]

Carbon capture and storage (CCS) has attracted significant attention owing to its impact on mitigating climate change. Many countries with large oil reserves are adopting CCS technologies to reduce the impact of fossil fuels on the environment. However, because of the complex interactions between multi-phase fluids, planning for CCS is challenging. One of the challenges is the integration of chemical reactions with multi-phase hydro-mechanical relationships in deformable porous media. In this study, a multi-phase hydro-mechanical reactive model for deformable porous media is established by using mixture coupling theory approach. The non-equilibrium thermodynamic approach is extended to establish the basic framework and Maxwell's relations to build multi-scale coupling. Chemical reaction coupling is achieved through the extent of the reaction and chemical affinity. The developed model can simulate CCS by considering the effect of calcite dissolution on porosity and permeability. It has been found from the simulation that the chemical reaction has a major influence on porosity and permeability change compared to both pressure and mechanical strain effect. Also, as the dissolution reaction takes place, the stress/strain decrease on the solid matrix. The results of this study successfully bridge the knowledge gap between chemical reactions and mechanical deformation. Furthermore, insights from this model hold substantial implications for refining CCS processes. By providing a more accurate prediction of pressure changes and porosity/permeability evolution over time, this research paves the way for improved CCS operation planning, potentially fostering safer, more efficient, and economically feasible climate change mitigation strategies. Article Highlights: A multi-phase hydro-mechanical reactive model for a deformable porous media is established by using mixture coupling theory. Maxwell's relations are extended to build multi-scale coupling. The effect of calcite dissolution on porosity is considered to simulate CCS. [ABSTRACT FROM AUTHOR]

Metabolism of nitric oxide (NO) donors: dinitrosyl iron complexes (DNIC), nitrosothiols (RSNO), and nitroprusside was studied on a chick embryo model. The obtained results give reason to assume that DNIC constituting the main pool of nitroso compounds in the vast majority of tissues are NO donors immediately interacting with the physiological target of NO, and other NO donors can perform this function after their transformation into DNIC. NO is released from DNIC not spontaneously, but under a joint influence of a factor destroying the complex and a target having chemical affinity for NO. A similar mechanism is apparently implicated in NO passage through the cell membrane. [ABSTRACT FROM AUTHOR]

The article titled "Foreword" introduces the current issue of Acta Baltica Historiae et Philosophiae Scientiarum, which focuses on the philosophical legacy of Rein Vihalemm. The issue includes discussions on Vihalemm's concept of practical realism and his methodological distinction of the sciences. The contributions in the issue examine foundational ideas of Vihalemm's philosophy of science and expand upon them. The article also mentions the inclusion of an article on the topic of values in science and introduces a new section titled "News and Events." [Extracted from the article]

The excess presence of phosphate(V) ions in the biosphere is one of the most serious problems that negatively affect aqueous biocenosis. Thus, phosphates(V) separation is considered to be important for sustainable development. In the presented study, an original cerium(IV)-modified chitosan-based hydrogel (Ce-CTS) was developed using the chemical co-precipitation method and then used as an adsorbent for efficient removal of phosphate(V) ions from their aqueous solutions. From the scientific point of view, it represents a completely new physicochemical system. It was found that the adsorptive removal of phosphate(V) anions by the Ce-CTS adsorbent exceeded 98% efficiency which is ca. 4-times higher compared with the chitosan-based hydrogel without any modification (non-cross-linked CTS). The best result of the adsorption capacity of phosphates(V) on the Ce-CTS adsorbent, equal to 71.6 mg/g, was a result of adsorption from a solution with an initial phosphate(V) concentration 9.76 mg/dm3 and pH 7, an adsorbent dose of 1 g/dm3, temperature 20 °C. The equilibrium interphase distribution data for the Ce-CTS adsorbent and aqueous solution of phosphates(V) agreed with the theoretical Redlich-Peterson and Hill adsorption isotherm models. From the kinetic point of view, the pseudo-second-order model explained the phosphates(V) adsorption rate for Ce-CTS adsorbent the best. The specific effect of porous structure of adsorbent influencing the diffusional mass transfer resistances was identified using Weber-Morris kinetic model. The thermodynamic study showed that the process was exothermic and the adsorption ran spontaneously. Modification of CTS with cerium(IV) resulted in the significant enhancement of the chitosan properties towards both physical adsorption (an increase of the point of zero charge of adsorbent), and chemical adsorption (through the presence of Ce(IV) that demonstrates a chemical affinity for phosphate(V) anions). The elaborated and experimentally verified highly effective adsorbent can be successfully applied to uptake phosphates(V) from aqueous systems. The Ce-CTS adsorbent is stable in the conditions of the adsorption process, no changes in the adsorbent structure or leaching of the inorganic filling were observed. [ABSTRACT FROM AUTHOR]

Aptamers are synthetic nucleic acids that are developed to target with high affinity and specificity chemical entities ranging from single ions to macromolecules and present a wide range of chemical and physical properties. Their ability to selectively bind proteins has made these compounds very attractive and versatile tools, in both basic and applied sciences, to such an extent that they are considered an appealing alternative to antibodies. Here, by exhaustively surveying the content of the Protein Data Bank (PDB), we review the structural aspects of the protein–aptamer recognition process. As a result of three decades of structural studies, we identified 144 PDB entries containing atomic-level information on protein–aptamer complexes. Interestingly, we found a remarkable increase in the number of determined structures in the last two years as a consequence of the effective application of the cryo-electron microscopy technique to these systems. In the present paper, particular attention is devoted to the articulated architectures that protein–aptamer complexes may exhibit. Moreover, the molecular mechanism of the binding process was analyzed by collecting all available information on the structural transitions that aptamers undergo, from their protein-unbound to the protein-bound state. The contribution of computational approaches in this area is also highlighted. [ABSTRACT FROM AUTHOR]

Owing to the unique properties of 2D graphene derivatives (2D GDs), their composites with other materials possess superior characteristics over other existing materials in the universe. Accordingly, 2D GDs-based composites have emerged as leading materials for substantial advancements of various technological industries such as energy, electronics, sensors, catalysis, environmental remediation, biomedical and structural sectors. Recently, numerous research innovations, have been developed for reliable production of 2D GDs-based composites with high quality, plentiful availability and competitive costs. The overall performance of 2D GDs-based composites is controlled by three main issues. First, the synthesis strategy of GD sheets, which determines the characteristic properties, quantity and cost of the 2D GD product. Second, the surface functionalization of GD sheets, which enhances the compatibility and chemical affinity between GD sheets and other materials within the composites. Finally, the processing method of the composite that strongly affects its microstructure, properties, productivity and cost. This makes such three processes, matters of great concern when designing 2D GDs-based composites for specific application. In this article, the structure, properties, synthesis and surface functionalization of 2D GDs are reviewed. Then, the review article discusses the research developments of 2D GDs-based composites with inorganic materials and polymers, in terms of preparation, properties and applications. Particular focus is placed on Green and/or clean production technologies. The recent research interest in the 2D GDs/multicomponent hybrid composites, with their distinctive multifunctional properties, is highlighted. Also, the new implemented applications of 2D GDs-based composites from 2021, are pointed out, as well as the currently running practical projects, which are proposing innovative futural applications prospects. Graphical Abstract [ABSTRACT FROM AUTHOR]