Effects Of Different Functional Groups Research Articles

The effects of different functional groups in Ni3-cluster MOFs on the efficient capture and transformation for flue gas CO2

As the greenhouse effect continuous increasing, the efficient CO2 capture and conversion into high-value fine chemicals have been necessary and meaningful. However, the CO2 coupling reaction always requires harsh catalytic reaction conditions and focuses on pure CO2 gas. Herein, three nickel-cluster metal-organic frameworks (MOFs) with different functional groups on the bridging-ligands have been synthesized and characterized structurally, presenting unique cages and channels architectural features. Catalytic investigations demonstrated that the amino-functionalized MOFs as a catalyst {[H2N(CH3)2]2[Ni3(µ3-O)(XN)(BDC-NH2)3∙7DMF}n (Ni3-NH2, XN = 6′′-(pyridin4-yl)-4,2′′:4′′,4′′′-terpyridine, H2BDC-NH2 = 2-aminoterephthalic acid) owns higher catalytic activity (96 %) than the other two in the CO2 transformation reaction with aziridine into oxazolidinones under 0.5 MPa within 4 h. Moreover, Ni3-NH2 can be reused at least ten times without significant catalytic activity loss under mild condition. Importantly, Ni3-NH2 catalyst still can be applicable to the simulating flue gas with 15 % CO2 as carbon source. The mechanism has been further revealed by NMR, FT-IR and DFT calculations, in which the Ni-site and the amino group can synergistically activate the substrate and CO2 molecule. This work has enriched the species of cluster-based MOFs and investigated the influence of characteristic functional groups on the catalytic activity deeply.

Selective Single-Atom Adsorption for Precision Separation of Lead Ions in Tap Water via Capacitive Deionization

Capacitive deionization (CDI) offers a cost-effective and low-energy method for selective removal of Pb2+ from drinking water. Modifying CDI electrode surfaces with functional groups presents a versatile approach to enhancing selective ion adsorption capacity. However, a comprehensive understanding of the selectivity and removal efficiency of Pb2+ among diverse functional groups remains unexplored. Here, we investigated the effects of different functional groups (-SH, -COOH, and -NH2) attached to the graphene oxide (GO) electrode surfaces on Pb2+ selectivity and removal efficiency. Surprisingly, GO-COOH demonstrated single-atom adsorption of Pb2+, displaying superior removal efficiency and selectivity compared with -SH and -NH2, although -SH possesses significant chelation capability for Pb2+. Both density functional theory (DFT) calculations and X-ray pair distribution function (PDF) analyses confirmed that Pb2+ exhibits a theoretically higher affinity to -COOH. This research deepens our understanding of the interactions between functional groups and heavy metal ions, enabling selective and rapid separation of target cations for water purification.

Effects of 2-ethylbutyric acid, 2-ethyl-1-butanol, and 3-methylpentane on the micellization thermodynamics and physicochemical properties of HS 15 and TW 80 micelles based on differences in functional groups

Herein, we investigated the effects of 2-ethylbutyric acid, 2-ethyl-1-butanol, and 3-methylpentane, each possessing varying functional groups, on polyoxyl 15 hydroxystearate (HS 15) and polysorbate 80 (TW 80) micelles. Initially, the critical micelle concentration (CMC) for both systems was determined. Subsequent measurements included the particle size, zeta potential, cloud point, micropolarity, number of aggregates, and fluorophore release profile. Finally, the number of hydrogen bonds was confirmed through molecular docking technology. Results showed distinct effects of different functional groups on TW 80 and HS 15 micelles, exhibiting a decreasing trend of CMC, Amin, Gmin, particle size, and polydispersity index (PDI) with increased functional group polarity, alongside increased zeta potential, decreased cloud point, enlarged hydrophobic region, and rapid fluorophore quenching. In particular, acids with carboxyl groups exhibited enhanced stability with HS 15 and TW 80 micelles owing to differences in polarity, solubilization sites, and intermolecular forces. Using tanshinone extract as a model drug, the study explored HS 15 and TW 80 micelles as drug carriers, and results indicated that 2-ethylbutyric acid micelles exhibited better bacterial inhibition against Staphylococcus aureus. Considering that the surface of bacteria was negatively charged, the positively charged nanoparticles exhibited strong electrostatic interactions with the bacteria, which exerted a superior antibacterial effect. In summary, 2-ethylbutyric acid micelles displayed the smallest CMC, Amin, Gmin, particle size, and PDI, along with a positive charge, highlighting the potential application of 2-ethylbutyric acid.

Microscopic mechanism investigation of extraction of lignin by benzyltriethylammonium chloride-based deep eutectic solvents

Benzyltriethylammonium chloride (BTEAC)-based deep eutectic solvent (DES) has a high delignification rate in the pretreatment of lignocellulose, and the lignin obtained from the removal has the advantages of high purity and low molecular weight. The interaction mechanism between BTEAC-based DES and lignin at molecular level was investigated by multiscale simulation analytical approach. By analyzing the types of weak interaction, charge distribution, number of hydrogen bonds, energy distribution and density distribution in different systems, the influence of six hydrogen bond donor (HBD) structures on the extraction process was clarified. The interaction between Cl- and lignin is mainly electrostatic interaction, and the interaction between BTEA+ and lignin is mainly van der Waals (vdW) interaction. The original π-π stacking of lignin is replaced by the new π-π stacking between BTEA+ and lignin. The effects of different functional groups and length of carbon chain on the interaction were researched. The acidic HBD with short carbon chain has a larger interaction and can affect the ether bond on the lignin. Among them, due to the smaller volume of formic acid (FA), it provides more space for BTEA+ to contact with lignin, resulting in stronger interaction. The molecular-level theoretical foundation underpinning the efficacy of BTEAC-FA in lignin removal during the pretreatment process is provided.

Thermochemical adsorption heat storage performance of functionalized UiO-66: Molecular simulation method

UiO-66 has broad application prospects in thermochemical adsorption heat storage owing to its great adsorption performance and stability. To further improve its performance, UiO-66 can be functionalized. Nevertheless, the adsorption and diffusion mechanism of UiO-66 and its functionalized structures is still unclear. Therefore, in this paper, it investigated the adsorption and diffusion performance of the UiO-66 series by molecular simulation. The effects of different functional groups were analysed, and the underlying mechanism was revealed. The results showed that adding –OH, –NH2, and –NH3+Cl- groups improved the adsorption capacity of UiO-66 at low pressure by 2.16, 3.22 and 4.25 times respectively, whereas adding –NO2 and −(OMe)2 groups reduced it by 46.05% and 86.84%. The adsorbent-water interaction was the strongest for UiO-66-NH3+Cl-, while UiO-66-(OMe)2 exhibited the weakest interaction. For the UiO-66 series, water molecules were preferentially adsorbed near the zirconium clusters, –OH, –NH2, and –NH3+Cl- groups. Then, they gradually filled around the organic ligands, and a very small amount gathered around the –NO2 and −(OMe)2 groups. Owing to the limitation of the pore volume, the water diffusion coefficient of all the structures initially increased and then decreased with the increase of water loading.

Effects of amino‐ and dimethylamine‐groups on the fluorescent properties of novel flavone‐based derivatives with ESIPT behavior: A TD‐DFT study

AbstractIn this work, the effects of different functional groups on the excited‐state intramolecular proton transfer behavior and fluorescent features of 3‐hydroxy‐2‐(naphthalen‐2‐yl)‐4H‐chromen‐4‐one (HFN) are explored in detail. Three new compounds (HFN‐1, HFN‐2, and HFN‐3) are designed based on the HFN by introducing the electron‐donating groups (–NH2, –N(CH3)2). The mainly geometrical parameters of optimized configuration showed that the intramolecular hydrogen bonds of the studied compounds are enhanced in the excited (S1) state, confirming by the ground (S0) and excited states infrared spectra, electron densities and reduced density gradient isosurfaces. The S0 → S1 transitions of HFN derivatives are dominated by ππ* charge transfer transition. The introduction of electron‐donating group (–NH2, –N(CH3)2) weakens the intramolecular hydrogen bond, increases the excited‐state intramolecular proton transfer barrier and red‐shifts the absorption/fluorescence peak. The coexistence of –NH2 and –N(CH3)2 make the absorption and fluorescence wavelengths of HFN‐1/HFN‐2 red‐shift/blue‐shift.

Different functional groups dependent fluorescent properties for ESIPT-based ABTN derivatives: A theoretical study

On the basis of density functional theory (DFT) and time-dependent DFT (TD-DFT), 2-amino-3-(benzo[d]thiazol-2-yl)benzaldehyde derivatives (ABTN-1, ABTN-2, ABTN-3) are selected as models to theoretically explore the effect of different functional groups on the fluorescent properties and excited state intramolecular proton transfer (ESIPT) behavior. The optimized configurations, infrared vibrational frequencies and topological parameters are used to analyze the intensity of intramolecular hydrogen bond (IHB). The absorption and fluorescence emission spectra are simulated, and the frontier molecular orbital as well as electron-hole distribution are investigated. In addition, the ground state (S0) and excited state (S1) potential energy curves (PECs) are constructed. The–CN group has little effect on the absorption and fluorescence wavelengths of ABTN. The –N(CH3)2 group red-shifts the absorption and fluorescence wavelengths exceeding 100 nm. The coexistence of –CN and –N(CH3)2 groups has almost the same effect on the absorption and fluorescence peaks as the–N(CH3)2 group.

Investigation of Anticancer Properties of 2-benzylidene-1-indanone and Its Derivatives by DFT and Molecular Docking

In this study, 2-benzylidene-1-indanone and its derivatives, which is a chalcone compound and contains indanone in its structure, were examined. Quantum chemical parameters for these compounds were calculated with the B3LYP method and the 6-31G(d) basis set and evaluated for their biological activity. The effect of different functional groups (F, Cl, Br, CF3, CH3 and OCH3) attached to the 2-benzylidene-1-indanone compound on biological activity was investigated. Some quantum chemical parameters such as highest energy filled molecule orbital energy (EHOMO), lowest non-bonding empty molecule orbital energy (ELUMO), energy gap (ΔE), hardness (η), softness (σ), global molecular electrophilicity (ω) index, global molecular nucleophilicity (ɛ) index, electron-accepting (ω+) and electron-donating (ω-) electrophilicity index were calculated for the biological activities of the compounds. Frontier molecular orbitals and molecular electrostatic potential (MEP) maps were interpreted. The biological activities of 2-benzylidine-1-indanone and some of its derivatives bearing the 1-indanone skeleton were evaluated by performing molecular docking studies with the target protein PDB ID = 1HJD corresponding to the melanoma cell line. The activity ranking obtained with quantum chemical parameters was found to be compatible with the binding energies obtained from docking results.

Construction of ligand functionalized MIL-101(Fe)-R and mechanism of efficient removal of chlortetracycline hydrochloride: Experiment and DFT calculation

Functionalization of ligands is an effective strategy to enhance the adsorption performance of adsorbents. In this study, MIL-101(Fe)-R (R = -H, –OH, –NH2, and –NO2) was selected as a platform for systematically studying the impact of functionalization on the adsorption behavior of chlortetracycline (CTC). A series of characterizations were conducted on the prepared MIL-101(Fe)-R to clarify the influence of organic linkers on the microscopic morphology, pore structure, and surface functionality of the adsorbents. Additionally, the effects of different functional groups on the adsorption behavior of MIL-101(Fe)-R were compared to screen for MOFs with high efficiency in removing CTC. Experimental results showed that the maximum adsorption capacities (qm) of MIL-101(Fe), MIL-101(Fe)–NH2, MIL-101(Fe)–OH, and MIL-101(Fe)–NO2 were 418.980 mg/g, 559.854 mg/g, 187.387 mg/g, and 154.131 mg/g, respectively. Among them, MIL-101(Fe)–NH2 exhibited a higher mass transfer rate (reaching equilibrium in 15 min). Based on apparent adsorption behavior, adsorption kinetics, isotherm and thermodynamic studies, as well as FTIR and XPS characterizations before and after adsorption, the performance modulation mechanism of MIL-101(Fe)-R in CTC adsorption was discussed in detail. Combined with density functional theory (DFT) calculations, the host–guest interaction controlling the adsorption behavior was understood at the molecular level, demonstrating the optimal binding sites of the adsorbents. This study provides guidance for the design of efficient MOF adsorbents for antibiotic wastewater treatment.

Eco-friendly synthesis of amino and carboxyl-functionalized silica nanoparticles for enhanced adsorption of water pollutants

Green synthesised nanoparticles (NPs) have garnered significant attention as a rapidly expanding category of materials with diverse applications. In this context, plants are widely acknowledged as a highly favourable option for green synthesis due to their adherence to the eco-friendly pathway of NPs biosynthesis. The objective of green synthesis is to reduce the utilisation of hazardous chemicals. The utilisation of silica (SiO2) NPs, synthesised from biomass as adsorbents, has shown great potential particularly in removing toxic materials from environment. When it comes to adsorbing water pollutants, functionalized SiO2 NPs are seen as potential option. However, certain functional group onto the surface of SiO2 NPs have higher affinity towards a particular pollutant. In this work, a simple and eco-friendly synthesis method (using waste bamboo leaves) have been utilised for production of SiO2 NPs. Further, a silylating procedure was used to functionalize SiO2 NPs with amine (A-SiO2) and carboxyl groups (C–SiO2) for determining adsorption capabilities towards anionic and cationic dyes i.e., Naphthol green-B (NGB) and brilliant green (BG). The adsorption mechanism has been discussed in view of different adsorption isotherm models. According to batch investigations, the functionalized SiO2 NPs showed different behaviour for dyes depending upon nature of dyes and the functional groups. The results of the study revealed that A-SiO2 NPs were having adsorption capacity of 122.10 mg/g for anionic dye (NGB) while C–SiO2 NPs showed adsorption capacity of 114.41 mg/g for cationic dye (BG). Additionally, these NPs exhibit good recyclability up to 5 cycles of reuse. Novelty of this study is the reduced energy needs for the green synthesis of the SiO2 NPs using bamboo leaves and the effect of different functional groups on the adsorption capacity of the NPs. Overall, this study provides a sustainable, and reusable approach for effective dye removal from wastewater, addressing both environmental and economic problems.

Polystyrene nanoplastics with different functional groups and charges have different impacts on type 2 diabetes

BackgroundIncreasing attention is being paid to the environmental and health impacts of nanoplastics (NPs) pollution. Exposure to nanoplastics (NPs) with different charges and functional groups may have different adverse effects after ingestion by organisms, yet the potential ramifications on mammalian blood glucose levels, and the risk of diabetes remain unexplored.ResultsMice were exposed to PS-NPs/COOH/NH2 at a dose of 5 mg/kg/day for nine weeks, either alone or in a T2DM model. The findings demonstrated that exposure to PS-NPs modified by different functional groups caused a notable rise in fasting blood glucose (FBG) levels, glucose intolerance, and insulin resistance in a mouse model of T2DM. Exposure to PS-NPs-NH2 alone can also lead the above effects to a certain degree. PS-NPs exposure could induce glycogen accumulation and hepatocellular edema, as well as injury to the pancreas. Comparing the effect of different functional groups or charges on T2DM, the PS-NPs-NH2 group exhibited the most significant FBG elevation, glycogen accumulation, and insulin resistance. The phosphorylation of AKT and FoxO1 was found to be inhibited by PS-NPs exposure. Treatment with SC79, the selective AKT activator was shown to effectively rescue this process and attenuate T2DM like lesions.ConclusionsExposure to PS-NPs with different functional groups (charges) induced T2DM-like lesions. Amino-modified PS-NPs cause more serious T2DM-like lesions than pristine PS-NPs or carboxyl functionalized PS-NPs. The underlying mechanisms involved the inhibition of P-AKT/P-FoxO1. This study highlights the potential risk of NPs pollution on T2DM, and provides a new perspective for evaluating the impact of plastics aging.

Insights into behaviors of functional groups in biomass derived products during aqueous phase reforming over Ni/α-MoO3 catalysts

Aqueous phase reforming (APR) of biomass-derived products has been widely applied for hydrogen generation, chemicals production, and wastewater treatment. Despite its widespread application, the complexity of the raw materials and reaction mechanisms significantly complicates the APR process, impeding its development. This study investigated the APR performance of biomass-derived products using Ni/α-MoO3 catalysts toward hydrogen production and pollutant control, conducted at a temperature of 225 °C and a residence time of 30 min, thus comprehensively understanding the effect of different functional groups. The results showed that the amide (R–HCON) exhibited superior hydrogen production potential during APR. In terms of total organic carbon (TOC) removal, ether showed a 98.10% removal efficiency without a catalyst, whereas the presence of catalyst greatly enhanced the TOC removal efficiency of acetaldehyde (-CHO) from 62.26% to 86.68%. The performed APR of biomass-derived products on Ni/α-MoO3 catalysts primary resulted in the presence of N, N-Dimethylformamide (HCON-(CH3)2), and aminobenzene (Ph-NH2) for Ni leaching with a lower concentration. The carbon deposition on the catalyst primarily resulted from the combined effects of various compounds and the oxygen vacancies within the catalysts. This study aims to provide novel insights into the APR process for both biomass and biomass-derived materials.

Recent advances in the synthesis of pyrazoline derivatives from chalcones as potent pharmacological agents: A comprehensive review

The pyrazoline scaffold plays a vital role in heterocyclic chemistry as a fundamental building block in both organic and medicinal chemistry. A pyrazoline scaffold is composed of an endocyclic double bond, two nitrogen atoms, and five different types of bonds. It is a significant chemical fragment and exhibits various bioavailabilities, allowing the synthesis of a range of diverse compounds with promising biological potential. Over the past decade, extensive research efforts have been devoted to investigating the therapeutic potentials of pyrazoline scaffolds, encompassing their antibacterial, anti-inflammatory, analgesic, cytotoxic, and anti-tumor activities. Moreover, in the presence of a unique chemical structure, pyrazolines have made it easier to produce new substitutions with low toxicity as compared to their natural analogue. The current review focuses on the recent progress in the synthesis of pyrazoline scaffolds from chalcones, with an emphasis on their possible biological functions. The study identifies a diverse range of pyrazoline derivatives that exhibit promising biological properties and have been successfully reported in various studies. The primary objective is to determine the chemical groups and structural modifications that enhance their bioactivity, low toxicity, and handling. Furthermore, the review explores the bioavailability, synthetic challenges, and progress made in utilising pyrazoline derivatives in pharmaceutical and synthetic chemistry from 2017 to 2023. The different biological potentials of various substituted pyrazolines are reported here such as 1,4-dimethylpiperazine, 2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetohydrazide, 1-methyl-4-phenylpiperazine, 4,5-dihydrooxazole, 2H-chromen-2-one, 2-(4-chlorophenyl)-5-methyl-4,5-dihydrooxazole, benzo[d]thiazole, ethoxybenzene, and 1-bromo-4N,N-dimethylaniline. The review also discusses the effects of different functional groups, such as OCH3, OH, NO2, CF3, and halogens, added to different positions of the pyrazoline scaffold.

Influence of polymers with surfactant properties as pour point depressants on the cold flow properties of diesel fuel

Polymers and surfactants are increasingly applied to improve the cold flow properties of diesel fuel. However, their depressive effects are closely related to the molecular structure of the structuring units. In this study, the structural properties of surfactants were applied to synthesise a series of polymers consisting of tetradecyl methacrylate and ether compounds as structural units, with the long alkyl chain and ether compounds acting as hydrophobic and hydrophilic groups, respectively. The polymers consisting of tetradecyl methacrylate and ether compounds combined the advantages of polymers and surfactants in improving the cold flow properties of diesel. Besides, the effects of different functional groups, molar ratios and additive amounts on the improvement of diesel fuel low–temperature fluidity were investigated. The results indicated that 1500 ppm polymer with tetradecyl methacrylate and allyl glycidyl ether as structural monomers at a molar ratio of 6:1 as polymer pour point depressant (PPD) showed a greater enhancement of cold filter plugging point and solid point of diesel (ΔCFPP = 12 ℃, ΔSP = 17 ℃). The molecular structures of efficient pour point depressants were screened and the polymer composition was broadened. Finally, differential scanning calorimeter, rheological and polarising optical microscopy were used to analyse the changes in wax crystals size and morphology in pure diesel and diesel treated with polymer PPDs, and a mechanism for polymer PPDs with surfactant structural properties to change the crystallisation and aggregation behaviour of wax crystals was inferred.

Synthesis of Pyridin-1(2H)-ylacrylates and the Effects of Different Functional Groups on Their Fluorescence.

While fluorescent organic materials have many potential as well as proven applications and so have attracted significant attention, pyridine-olefin conjugates remain a less studied subset of such systems. Herein, therefore, we report on the development of the straightforward syntheses of pyridin-1(2H)-ylacrylates and the outcomes of a study of the effects of substituents on their fluorescent properties. Such compounds were prepared using a simple, metal-free and three-component coupling reaction involving 2-aminopyridines, sulfonyl azides and propiolates. The fluorescent properties of the ensuing products are significantly affected by the positions of substituents on the cyclic framework, with those located in central positions having the greatest impact. Electron-withdrawing groups tend to induce blue shifts while electron-donating ones cause red shifts. This work highlights the capacity that the micro-modification of fluorescent materials provides for fine-tuning their properties such that they may be usefully applied to, for example, the study of luminescent materials.

Study on the microscopic mechanism of adsorption and diffusion of hydrocarbon oil drops on coal surface using molecular dynamics simulations

AbstractFlotation of fine coal particles usually uses oil collectors, but the micromechanisms need to be more defined due to the complex structure and abundant functional groups on the surface of coal bodies [Correction added after first online publication on 16 October 2023: “refined” was changed to “defined” in the first sentence of the article abstract.]. The adsorption spreading behavior and interfacial properties of nonpolar oil drops on flat low‐order coal (LOC) and high‐order coal (HOC) surfaces were investigated in depth using molecular dynamics (MD) simulations, while the effects of different functional groups on LOC surfaces were also considered. The results showed that the contact angle, contact area and interaction energy of oil drops adsorbed on the LOC and HOC surfaces at simulated equilibrium in aqueous environment were 77.68°, 621.49 Å2, −140.94 kcal/mol; 53.98°, 962.14 Å2, and −195.13 kcal/mol, respectively. The smaller the equilibrium contact angle between the oil drops and the surface, the larger the contact area and the larger the absolute value of the interaction energy, the better the spreading effect of the oil drops and the easier the surface is to flotation. Compared with the HOC surface, the oil drops could not displace the water molecules on the LOC surface better and spread poorly on its surface, and the migration rate was higher. This was caused by the abundant functional groups on the surface of LOC. The type of functional group significantly affects the interaction of nonpolar oil drops with hydrophilic surfaces, with the order of adsorption strength being CH3 > COCH3 > OH > COOH. The formation of a dense hydrated film of oil drops on the COOH surface was an important reason for the difficulty of flotation on the LOC surface. MD elucidated the mechanism of action of nonpolar oil collectors on LOC and HOC surfaces, which is a guide for efficient flotation on LOC surfaces.

Contributions of Different Functional Groups to Particles in Electrophoretic Display

Electrophoretic display (EPD) has excellent research potential because of its ultra-low power consumption and friendliness to the eyes. To obtain efficient electrophoretic inks, researchers need to understand the charging mechanism of electrophoretic particles. In this work, several silane coupling agents with similar main chains but different functional groups on the side chains were used to investigate the effects of different functional groups on the charging properties of the electrophoresis particles. The results showed that silane coupling agents containing amino groups resulted in the most positively charged particles, and those containing carboxyl groups resulted in the most negatively charged particles. More importantly, after introducing many additional amino groups by grafting, it was found that the charge on the particle surface was only slightly elevated, indicating that the polymer layer grafted on the particle surface would cover the functional groups inside and hinder the acid-base interactions between the functional groups in the inner layer and the charge control agent. The findings of these results may contribute to the precise design of materials for electrophoretic display.

Cyclodextrin modified with different groups to enhance the drug delivery efficiency of gold nanoparticles to treat cancer

The aim of this research is to investigate the influence of different functional groups of β-cyclodextrin (CD) in functionalizing gold nanoparticles. The functionalized nanoparticles are then utilized for loading the 5-fluorouracil (5-FU) drug and evaluating their in vitro anticancer activity. A two-step method was employed to synthesize Mono-6-(1,3-trimethylenediamine)-6-deoxy-β-cyclodextrin (TMACD), which was further utilized for fabricating gold nanoparticles (AuNPs) using ultrasound-assisted synthesis. To investigate effect of different functional groups of β-cyclodextrin (CD) on drug delivery efficiency, three cyclodextrin derivatives, namely β-cyclodextrin (5-FU@AuNPs/CD), 2-hydroxylpropyl-β-cyclodextrin (5-FU@AuNPs/HPCD), and TMACD (5-FU@AuNPs/TMACD) were utilized to load 5-FU. Among them, the nanocomposite AuNPs/TMACD exhibited the highest associate efficiency and loading efficiency which were confirmed by analytic techniques such as FTIR, PXRD, TEM. Moreover, the release behavior of 5-FU from the nanocomposites was investigated at pH 7.4, revealing that all AuNPs/CDs nanocomposites effectively protected the drug with a low release percentage ranging from 23.13% to 29.45%. Docking model analysis indicated that the 5-FU ligand formed six hydrogen bonds and interacted favorably with the HPCD molecule. In the in vitro cell viability assay, both nanocomposites, 5-FU@AuNPs/CD and 5-FU@AuNPs/TMACD, not only demonstrated effective anticancer activity against breast cancer cells (MCF-7) but also exhibited minimal toxicity towards normal cell lines. Remarkably, the results revealed that 5-FU@AuNPs/TMACD displayed the highest efficacy in suppressing the growth of the breast cancer cells. These findings highlight the considerable potential of amine-derivative cyclodextrin-capped AuNPs as exceptionally efficient carriers for anticancer drugs, offering promising applications in both diagnosis and therapy.

Investigation of the correlation between molecular structures with high-temperature and salt resistance for acrylamides polymer in drilling fluid

Deep oil and gas are essential alternative resources for future energy sources, but the lack of high temperature and high salt resistance mechanisms and agents significantly limits their development. Copolymers of six commonly used high-temperature and salt resistance monomers and acrylamide with similar molecular weights were prepared to improve oil recovery in deep reservoirs. The effects of different functional groups on the high-temperature and salt resistance of polymers were revealed by the drilling fluid and elemental analysis, TOC test, Zeta potential, particle size, and other analytical methods. Experimental results indicate that the pyrrole ring groups, quaternary amine groups, long-chain sulfonate groups, and benzenesulfonic acid groups can effectively improve the high-temperature stability of polymers in an aqueous solution. Quaternary ammonium groups and pyrrole rings can enhance the polymer adsorption with clay under high temperatures and high salinity conditions due to charge attraction. However, these functional groups hinder the clay dispersion and reduce the stability of drilling fluids. Hydration groups, such as sulfonic and carboxylic acid groups, can better maintain the colloidal stability of drilling fluids under high temperatures and high salinity, and benzene sulfonic acid groups are the optimal hydration groups. After the polymer is adsorbed on the clay surface, the benzene sulfonic acid group assists in forming a thicker hydration film on the clay surface, effectively hindering the damage of high temperature and high salinity on the clay. The findings and observations of this study provide theoretical support for the development of high-temperature and salt resistance polymers for water-based drilling fluids of ultra-deep wells.

Synthesis of Citronellol-Derived Antibacterial Polymers and Effect of Thioether, Sulfoxide, Sulfone, and Ether Functional Groups on Their Bactericidal Activity

Citronellol-derived methacrylate polymers with four side chain interconnecting groups of different polarities (PCHM-Xs) are synthesized to prepare bio-based bactericidal polymers. The PCHM-X bactericidal activities are significantly affected by the different functional groups determining the interaction between the polymer chain and bacterial membrane that disrupts the membrane integrity causing cytoplasmic leakage, the main contributor to the polymer antibacterial properties. PCHM-SO, with a large dipole moment and strong hydrogen bonding ability, shows the best bactericidal activity among PCHM-Xs due to the strongest interactions with the bacterial membrane components. A sulfoxide-group-containing polymer with excellent bactericidal activity (99.99%) and the systematic study of the effect of different functional groups on the bactericidal activity are first reported herein.