Amino-functionalized Mesoporous Silica Research Articles

Design of an anticancer organoruthenium complex as the guest and polydiacetylene-coated fluorogenic nanocarrier as the host: engineering nanocarrier using ene-yne conjugation for sustained guest release, enhanced anticancer activity and reduced in vivo toxicity.

Despite the enormous efforts made over the past two decades to develop metallodrugs and nanocarriers for metallodrug delivery, there are still few precise strategies that aim to optimize the design of both metallodrugs and metallodrug carriers jointly in a concerted effort. In this work, three half-sandwich ruthenium(II) complexes with pyridylimidazo[1,5-a]pyridine ligand functionalized with polycyclic aromatic moiety (Ru(nap), Ru(ant), Ru(pyr)) are evaluated as possible anticancer candidates and polydiacetylene (PDA)-coated amino-functionalized mesoporous silica nanoparticles (AMSNs) are designed as a functional nanocarrier for drug delivery. Ru(pyr) exhibits higher cytotoxicity in HT-29 colorectal cancer cells compared to other complexes and cis-platin, but it does not exhibit better cellular uptake. Ru(pyr) is found to be preferentially accumulated in plasma, mitochondria, and ER-Golgi membrane. The complex induces cell cycle arrest in the G0/G1 phase, while higher concentrations cause programmed cell death via apoptosis. Ru(pyr) influences cancer cell adhesion property and acts as an antioxidant in HT-29 cells. In order to modulate the anticancer potency of Ru(pyr), AMSNs are used to encapsulate the complex, and then diacetylene self-assembly is allowed to deposit on the surface of the nanoparticles. Subsequently, the nanoparticles undergo topopolymerization, which results in π-conjugated PDA-Ru(pyr)@AMSNs. Owing to the ene-yne polymeric skeleton in the backbone, the non-fluorescent AMSNs turn into red-emissive particles, which are exploited for cell imaging applications. The release profile analysis reveals that such a π-conjugated polymer prevents the premature release of the complex from porous silica nanoparticles with the accelerated release of the complex in an acidic medium compared to physiological conditions. The PDA gatekeepers have also been proven to enhance the cellular internalization of Ru(pyr) with slow continuous release from the nanoformulation. Zebrafish embryo toxicity analysis suggests that the PDA-coated nanocarriers could be suitable candidates for in vivo investigations.

Ultrafine copper clusters confined in amino-functionalized mesoporous silica nanospheres for renewable biomass upgrading

The development of noble-metal-free catalysts for upgrading biomass feedstocks to chemicals and fuels remains a crucial and challenging target. Catalytic hydrogenation of biomass-derived levulinic acid (LA) to γ-valerolactone (GVL) is one of the essential reactions for biomass valorization. Herein, we report a confined Cu cluster catalyst, Cu/NMSSs-NH2, in which ultrafine Cu nanoclusters are uniformly encapsulated in the channels of amino-functionalized nanosized mesoporous silica spheres (NMSSs-NH2). The surface amino functionalization of NMSSs plays a critical role in dispersing and stabilizing Cu species. The obtained Cu/NMSSs-NH2 affords an excellent LA hydrogenation performance, with a GVL yield as high as 98% achieved, much higher than that of unconfined Cu particles in pristine NMSSs (Cu/NMSSs, 42%). Comprehensive characterization studies including X-ray diffraction, transmission electron microscopy, and X-ray photoelectron spectroscopy reveal that the modified microenvironment of NMSSs could not only offer a confined space but also induce an electronic interaction between metal species and the support, which effectively restrains the Cu nanoclusters from aggregation. This study unlocks the potential of inexpensive Cu cluster-based catalysts for the hydrogenation of renewable biomass to high-value chemicals.

Effectiveness of Mesoporous Silica Nanoparticles Functionalized with Benzoyl Chloride in pH-Responsive Anticorrosion Polymer Coatings.

Smart polymer coatings embedding stimuli-responsive corrosion inhibitor nanocarriers are commonly exploited, in the literature, for the development of high-performance active coatings. In this work, high-surface-area amino-functionalized mesoporous silica nanoparticles (MSN-NH2) were developed with a one-step synthesis process and then functionalized with benzoyl chloride (MSN-BC) through a reaction with amino groups. MSN-BC are able to release benzoic acid (BA) in acid and alkaline conditions as a result of the hydrolysis of the pH-sensitive amide bond. MSN-BC were embedded in polymer coatings to exploit the pH-dependent release of corrosion-inhibiting BA. After an in-depth characterization of the developed functional nanoparticles and of their pH-dependent release kinetics of BA, MSN-BC were embedded in an acrylic matrix, realizing coatings for the corrosion protection of aluminum AA2024 alloys. Results demonstrate the effectiveness of the nanoparticles' porous structure for a high loading of the anticorrosive active agent BA and the long-lasting efficiency of the coating for the corrosion protection of aluminum alloys, as validated by morphological and electrochemical impedance spectroscopy (EIS) measurements. EIS experiments were carried out with up to 21 days of exposure to a corrosive environment, revealing the potentialities of the acrylic coatings embedding MSN-BC for the protection of aluminum alloys.

Carboxymethyl β-cyclodextrin grafted hollow copper sulfide@mesoporous silica carriers for stimuli-responsive pesticide delivery

Stimuli-responsive controlled release systems have received extensive attention to improve the pesticide bioavailability and minimize environmental pollution. Herein, a multiple stimuli-responsive IMI@HCuS@mSiO2 @ -ss-CβCD delivery system was constructed using modified carboxymethyl β-cyclodextrin (CβCD-ss-COOH) as sealing materials, hollow copper sulfide nanoparticles with amino-functionalized mesoporous silica shell (HCuS@mSiO2-NH2) as carriers and imidacloprid (IMI) as the model drug. The cavity structure of HCuS@mSiO2-NH2 would provide a large space for pesticide loading. The results revealed that HCuS@mSiO2-ss-CβCD was approximately 230 nm in size and the loading efficiency for IMI was 25.7%, and exhibited better biosafety on bacteria and seed. HCuS carriers were also served as photothermal agent and possessed high photothermal conversion effect (η = 38.4%). IMI@HCuS@mSiO2 @ -ss-CβCD displayed excellent foliage adhesion and multiple stimuli-responsive release properties to pH, α-amylase, GSH, and NIR. The photostability of IMI embedded in CuS@mSiO2 @ -ss-CβCD was approximately 10 times that of IMI solution. This work provides an efficient nanoplatform for realizing pesticide delivery.

Temperature-Invariant Large Broadband Polyimide Dielectrics with Multimodal Porous Networks

Herein, we describe sponge-like polymeric materials with multimodal porous networks with stable ultralow dielectric properties over broad frequency and temperature ranges. A hierarchically porous polyimide (PI) film was prepared via nonsolvent-induced phase separation (NIPS), followed by stepwise thermal imidization. Through the swelling and the subsequent liquid–liquid phase separation, highly insulating interconnected pores of the internal layer and the water-vapor impermeable, closed-cell skin of the outer layer were directly formed on the PI film. The grafting of porous PI onto amino-functionalized mesoporous silica (AMS) to further adjust the overall thermal stability and dielectric constant has become a valid strategy. The porous PI-grafted-AMS (PPI-g-AMS) exhibited uniform micropores, which were regularly shaped with an average diameter of 16.3 ± 0.6 μm. The glass transition temperature (Tg) of PPI-g-AMS increased considerably from 367 °C to as high as 398 °C because of the formation of interchain cross-linking bridges in the AMS. Outstanding dielectric constant (Dk) and dissipation factor (Df) of 1.84 and 0.0018 at a frequency of 1 MHz, respectively, were achieved for PPI-g-AMS-1 with the addition of AMS with 1% wt. Moreover, stable and ultralow Dk (∼1.84 at 1 MHz) and Df (∼0.001 at 1 MHz) values were achieved over a broad temperature range from −20 to 200 °C. These findings indicate the broad application potential of polymeric materials as interlevel insulation materials in the next-generation 5G/6G infrastructure.

Inorganic-organic composite membranes containing amino-functionalized mesoporous silica loaded phosphotungstic acid with enhanced fuel cell performance and stability

In this work, phosphotungstic acid (HPW) modified amino-functionalized mesoporous silica (AMS) as an inorganic filler (AMS@HPW) is incorporated into sulfonated poly (aryl ether sulfone) (SPAES) to prepare inorganic-organic composite membrane. The fabricated silica possesses a mesoporous structure with a surface area of 488.74 m2/g. The amino modification of silica acting as a “bridge” loads more HPW and promotes the compatibility between inorganic fillers and SPAES. The obtained SPAES/AMS@HPW composite membranes effectively inhibit HPW leakage and display better stability and fuel cell property due to the acid-base interaction and hydrogen-bond networks. Especially, the SPAES/AMS@HPW-1.0 membrane displays 18.4% higher proton conductivity (175.5 mS/cm) at 90 °C and 22.3–28.5% higher power density (470.4–678.4 mW/cm2) at 60%–100% RH than the original membrane. In addition, the SPAES/AMS@HPW-1.0 membrane still maintains stable voltage output and shows lower voltage decay (0.331 mV/h) and hydrogen permeation current density (8.28 mA/cm2) than Nafion 112 after the durability test.

Long-Term Refrigerated Storage of Beef Using an Active Edible Film Reinforced with Mesoporous Silica Nanoparticles Containing Oregano Essential Oil (Lippia graveolens Kunth).

Beef is a fundamental part of the human diet, but it is highly susceptible to microbiological and physicochemical deterioration which decrease its shelf life. This work aimed to formulate an active edible film (AEF) incorporated with amino-functionalized mesoporous silica nanoparticles (A-MSN) loaded with Mexican oregano (Lippia graveolens Kunth) essential oil (OEO) and to evaluate its effect as a coating on fresh beef quality during refrigerated storage. The AEF was based on amaranth protein isolate (API) and chitosan (CH) (4:1, w/w), to which OEO emulsified or encapsulated in A-MSN was added. The tensile strength (36.91 ± 1.37 MPa), Young's modulus (1354.80 ± 64.6 MPa), and elongation (4.71%) parameters of AEF made it comparable with synthetic films. The antimicrobial activity of AEF against E. coli O157:H7 was improved by adding 9% (w/w) encapsulated OEO, and interactions of glycerol and A-MSN with the polymeric matrix were observed by FT-IR spectroscopy. In fresh beef, after 42 days, AEF reduced the population growth (Log CFU/cm2, relative to uncoated fresh beef) of Brochothrix thermosphacta (5.5), Escherichia coli (3.5), Pseudomonas spp. (2.8), and aerobic mesophilic bacteria (6.8). After 21 days, odor acceptability of coated fresh beef was improved, thus, enlarging the shelf life of the beef and demonstrating the preservation capacity of this film.

Highly selective epoxidation of styrene at ambient temperature under photo-assisted condition over bimetallic Eu and Ti-doped amino-functionalized mesoporous molecular sieve

Mesoporous molecular sieves silica materials had been functionalized employing 3-aminopropyltriethoxysilane as the surface decoration agent by a post-synthesis method and Eu and Ti with different loading ratio were synchronously anchored on amino-functionalized silica framework by incipient wetness impregnation method, respectively. The structures of the synthesized samples were evaluated by means of X-ray diffraction, Fourier transform infrared spectroscopy, ultraviolet-visible spectra, scanning electron microscope, transmission electron microscope, X-ray photoelectron spectroscopy and solid-state 29Si magic angle spinning nuclear magnetic resonance spectra. The results revealed that the highly ordered mesoporous two dimensional hexagonal structure and the mesoporous channel structure were well preserved and isolated tetrahedral surface Eu3+ and isolated [TiO4] or [HOTiO3] species were found to be grafted and highly dispersed in the amino-functionalized mesoporous framework. A significant enhancement in selectivity and conversion for the photocatalytic epoxidation of styrene has been achieved by synergistic effect based on surface ligand effect and electron density effect between Eu3+ and Ti4+ species on amino-functionalized mesoporous silica framework. The factors associated with the conversion of styrene and selectivity to styrene oxide such as the solvent, metal loading, the amount of NaOH, H2O2/Styrene, the amount of catalyst and reaction time were also investigated in details. The desired selectivity (84%) to styrene oxide and excellent conversion (32%) of styrene for the photocatalytic epoxidation of styrene with turnover frequency of 3.1 × 10−4s−1 were obtained using aqueous H2O2 as an oxidant in the presence of acetonitrile solvent under ambient temperature.

Sequentially responsive size reduction and drug release of core-satellite nanoparticles to enhance tumor penetration and effective tumor suppression

Poor tumor accumulation remains a serious challenge for nanomedicines to achieve ideal antitumor outcomes. The different size preferences for systematic circulation, tumor retention and deep permeation have attracted great attention when designing antineoplastic nano-delivery system. Herein, we developed a nano-system which can shrink its size in tumor microenvironment to achieve better tumor retention and penetration. In this work, the cationic bovine serum albumin-protected, doxorubicin-loaded gold nanoclusters (CAuNC-DOX) and amino-functionalized mesoporous silica nanoparticles (MSN) are connected by Fe2+ and are further coated with hyaluronic acid (HA) to obtain a core-satellite MSN-Fe-CAuNC-DOX@HA nano system (MFADH). When reaching the tumor site, the HA shell, which endows the system with both good biocompatibility and preferable tumor targeting ability, was disintegrated, followed by acid-stimulated release of small-sized pharmacological unit—CAuNC-DOX for further tumor penetration. As demonstrated in both in vitro and in vivo results, MFADH showed excellent antitumor effect, providing a proof of concept for the feasibility of shrinkable nanoplatforms in tumor treatment.

A convergent fabrication of pH and redox dual-responsive hybrids of mesoporous silica nanoparticles for the treatment of breast cancer

Mesoporous silica nanoparticle (MSN), sodium hyaluronate (SH), silk fibroin (SS), and oxidized sodium carboxymethyl cellulose (O-CMC) hybrids were used to develop an intelligent drug delivery platform that may be employed for pH and redox-responsive bi-drug administration. The first drug, cytarabine (Cyt), was loaded with amino-functionalized mesoporous silica (MSN-NH2) encased by the hydrogel of cystamine (Cys) and SH cross-linked by amide bonds. Hydrophobic doxorubicin (DOX) was co-loaded with Cyt/MSN-NH2/SA in the hydrogel of SS and O-CMC in the Cyt- loaded hydrogel. Dual-responsive drug delivery may be achieved by encapsulating SS and O-CMC in a hydrogel, including Cyt/MSN-NH2/SA/DOX/SS/O-CMC, which has acyl hydrazone bonds (-HC = N) and disulfide bond (-S-S-) exchange reaction with glutathione (GSH). Compared to hydrogels encapsulating only one drug (Cyt or DOX), cell survival analysis revealed that the newly fabricated hydrogels have significantly greater chemotherapeutic efficacy. The cell proliferation of the fabricated nanoparticles was examined in MCF-7 and MDA-MB-231 cells, which indicates that the nanoparticles effectively kill the cancer cells without affecting non-cancerous cells. Further, we effectively investigated the morphological changes, and various biochemical staining methods examined nuclear fragmentation/condensation. Furthermore, the biosafety of the nanoparticles was investigated by the in vivo animal model, which reveals that they remarkably enhanced the safety profile in various organs. These outcomes demonstrated that this nanoparticle platform was a promising beneficial agent for improving breast cancer treatment.

Amino-functionalized mesoporous silica nanoparticles (NH2-MSiNPs) impair the embryonic development of the sea urchin Paracentrotus lividus

Nanoparticles have found use in a wide range of applications, mainly as carriers of active biomolecules. It is thus necessary to assess their toxicity for human health, as well as for the environment, on which there is still a gap of knowledge. In this work, sea urchin Paracentrotus lividus, a widely used model for embryotoxicity and spermiotoxicity, has been used to assess potential detrimental effects of amino-functionalized mesoporous silica nanoparticles (NH2-MSiNPs) on embryonic development. Specifically, gametes quality, embryogenesis morphological and timing alterations, and cellular stress markers, such as mitochondrial functionality, were assessed in presence of different concentrations of NH2-MSiNPs in filtered seawater (FSW). Furthermore, dorsal-ventral axis development and skeletogenesis were characterized by microscopy imaging and gene expression analysis. NH2-MSiNPs determined a strong reduction in the egg fertilization rate. Consequently, the presence of NH2-MSiNPs resulted detrimental in P. lividus embryonic development, with severe morphological alterations correlated with an increased embryos mortality. Finally, NH2-MSiNPs treatment was responsible for other toxic effects, such as reduced mitochondrial function and skeletogenesis alterations, according to the reduced mineralization sites in the endoskeleton formation and the related genes altered expression. Taken together, these results suggest the potential toxic effects of NH2-MSiNPs on the marine ecosystem, with consequences for the development and reproduction of its organisms. Despite their promising potential as carriers of biomolecules, it is pivotal to consider that their uncontrolled use may result harmful to the environment and, consequently, to living organisms.

Mesoporous silica nanoparticle-modified electrode arrays of cochlear implants for delivery of siRNA-TGFβ1 into the inner ear

Cochlear implants (CI) are widely used in patients to restore hearing function. Uncontrolled fibrosis in the cochleae induced by excess secretion of TGFβ1 seriously affects the effectiveness of CIs. siRNA is a potential therapeutic strategy to downregulate TGFβ1 specifically. However, treatment with siRNA in cochleae is difficult due to the poor penetration capability and instability of siRNA and the inaccessibility and vulnerability of cochleae. To address these challenges, we developed amino-functionalized mesoporous silica nanoparticle (MSN-NH2)-modified electrode arrays to deliver siRNA-TGFβ1 into the inner ear. The shape, diameter, pore diameter, and zeta potential of MSN-NH2 were investigated. siRNA loading capability and protective effect of MSN-NH2 were determined by agarose gel electrophoresis assay. The cytotoxicity, cellular uptake assay, and TGFβ1 knockdown efficiency of MSN-NH2 were studied by CCK-8 assay, flow cytometry, and real-time PCR, respectively. MSN-NH2-siTGFβ1 nanoparticles were absorbed into the electrode arrays and worked in the cochleae. MSN-NH2-siTGFβ1-modified CI electrode arrays may be an attractive therapeutic clinical intervention strategy to inhibit cochlear implantation fibrosis.

Synthesis and characterization of antibacterial polyurethane rigid foam nanocomposites by incorporation of tea tree oil as a natural biocide

Synthesis and characterization of novel Tea Tree Oil (TTO) loaded antibacterial polyurethane rigid foams using two distinct methods is reported. In the first method, 3-aminopropyltriethoxysilane (APTS) functionalized mesoporous silica was used as the carrier of TTO for preparing amino-functionalized mesoporous silica (TTO-NH2-MCM-41). In the second one, TTO is encapsulated by silica via the sol-gel method, then using APTS, silica nanocontainers functionalized with amino groups (TTO@NH2-SiO2NCs), which is known to display antibacterial properties. Field Emission Scanning Electron Microscopic (FE-SEM), High-Resolution Transmission Electron Microscopic (HRTEM), Fourier transform infrared (FTIR), Brunauer-Emmett-Teller (BET), and Thermogravimetric Analysis (TGA) analyses were used to characterize morphological, structural, and thermal properties of the prepared nanoparticles, respectively. The prepared antibacterial polyurethane rigid foams, which had 2.5, 5, and 7 percent of the two synthesized nanoparticles, characterized by FE-SEM, ATR-FTIR, TGA, and antibacterial performance assay methods, respectively. The obtained results from the viable cell count (direct contact) antibacterial performance method exhibited that antibacterial polyurethane rigid foam containing 7 % of TTO-NH2-MCM-41 has a robust antibacterial activity with > 99.9 % reduction of viable bacteria (>4 Logarithmic reduction) for Staphylococcus aureus bacteria.

A pain reflex-inspired hydrogel for refractory wound healing

Promoting refractory wound healing remains a major therapeutic challenge. Here, a pain reflex-inspired hydrogel responsive to inflammatory microenvironmental conditions was developed and used to treat chronically infected diabetic wounds. This material was produced by reacting ε-Polylysine, which exhibits antibacterial properties, with oxidized hyaluronic acid to yield a dynamic Schiff base-crosslinked hydrogel capable of undergoing triggered dissociation in response to the lower microenvironmental pH found within refractory wounds. This hydrogel exhibited intrinsic antimicrobial activity owing to the incorporation of ε-Polylysine within the hydrogel network. To imbue the hydrogel with low pH-inducible anti-inflammatory and angiogenic activity, Schiff base bonds were used to capture Deferoxamine (DFO)-loaded amino-functionalized mesoporous silica nanoparticles (MSNs-NH2@DFO) on this hydrogel skeleton. The reflexive behaviors of the hydrogel make it ideally suited to facilitating wound healing in response to excessive local inflammation. The resultant intelligent hydrogel was highly biocompatible and exhibited robust antibacterial, anti-inflammatory, and pro-angiogenic activity in vitro and in vivo, thus effectively promoting the healing of chronically infected diabetic wounds. This novel hydrogel therefore holds great promise as a tool to promote refractory wound healing.

Achieving blue water-dispersed room-temperature phosphorescence of carbonized polymer dots through nano-compositing with mesoporous silica

Stabilizing triplet excited states is important for room temperature phosphorescence (RTP) materials to achieve multifunctional applications in humid environment. However, due to the lack of preparation strategies, the realization of RTP materials in water still faces challenges. Herein, a new design strategy was presented to achieve RTP in water by confining carbonized polymer dots (CPDs) in amino functional mesoporous silica (MSNs-NH2). The as-prepared MSNs-CPDs aqueous dispersion exhibited blue afterglow, lasting more than 3 s to naked eyes. The triplet excited states were protected from non-radiative deactivation by the double-confinement effect including covalent bonding fixation and mesoporous structure confinement. The MSNs-CPDs inherited the structure of MSNs-NH2, so the stability of morphology and properties were superior to CPDs and even most of silica-based CPDs RTP materials. A water-related encryption technique demonstrated the promising application of MSNs-CPDs as smart materials in the field of information security. Besides, the possibility of potential application in ion detection was also explored.

Evaluation of colloidal properties of amino-functionalized mesoporous silica nanoparticles conjugated with the plasmid vector pEGFP-N3 and its influence on the pDNA delivery to HeLa cells

Efforts are being made to develop gene therapy delivery systems capable of substituting the viral vectors with comparable efficiency but with fewer biosafety concerns, easier production on large-scale and improved shelf-stability. Among the potential delivery systems based on inorganic nanoparticles for plasmid DNA, mesoporous silica has been gaining significance due to its combination of biocompatibility with unique structural and chemical properties. In this study, mesoporous silica nanoparticles were grafted with different alkyl-amino groups to enable the formation of conjugates with the plasmid vector pEGFP-N3. The colloidal properties, cytotoxicity and transfection efficiency of conjugates to HeLa cells were evaluated. Spherical nanoparticles with around 90 nm of diameter were synthesized and then functionalized with propylamine, (2-aminoethyl)(ethyl)propylamine and 3-(diethylenetriamine)propyl groups. Dispersions prepared in different cell culture media and the zeta potential measurements revealed that their aggregation tendency was influenced by their functionalities. Besides, the structural integrity of the functionalized nanoparticles dispersed in Dulbecco's modified Eagle's medium was affected when sterilized in autoclave. The highest efficiency on the pEGFP-N3 conjugation was obtained with 3-(diethylenetriamine)propyl groups while the highest transfection efficiency was achieved with propyl amino groups onto the surface of mesoporous silica nanoparticles. The cytotoxicity of conjugates to HeLa cells was acceptable and the transfection efficiency was low possibly due to the aggregation observed in the cell culture medium.

Robust Amino-Functionalized Mesoporous Silica Hollow Spheres Templated by CO2 Bubbles.

Hollow-structured mesoporous silica has wide applications in catalysis and drug delivery due to its high surface area, large hollow space, and short diffusion mesochannels. However, the synthesis of hollow structures usually requires sacrificial templates, leading to increased production costs and environmental problems. Here, for the first time, amino-functionalized mesoporous silica hollow spheres were synthesized by using CO2 gaseous bubbles as templates. The assembly of anionic surfactants, co-structure directing agents, and inorganic silica precursors around CO2 bubbles formed the mesoporous silica shells. The hollow silica spheres, 200–400 nm in size with 20–30 nm spherical shell thickness, had abundant amine groups on the surface of the mesopores, indicating excellent applications for CO2 capture, Knoevenagel condensation reaction, and the controlled release of Drugs.

Thermo-responsive chitosan/silk fibroin/amino-functionalized mesoporous silica hydrogels with strong and elastic characteristics for bone tissue engineering

Amino-functionalized mesoporous silica nanoparticles with radially porous architecture were optimally synthesized, and they were used together with silk fibroin and chitosan to produce a type of covalently crosslinked composite hydrogel using genipin as a crosslinker. The optimally achieved composite gels were found to be thermo-responsive at physiological temperature and pH with well-defined injectability. They were also detected to have mechanically strong and elastic characteristics. In addition, these gels showed the ability to release bioactive Si ions suited to an effective dose range in approximately linear manners for a few weeks. Studies on the cell-gel constructs revealed that the composite gels well supported the growth of seeded MC3T3-E1 cells, and the deposition of matrix components. Results obtained from the detection of alkaline phosphatase activity and the matrix mineralization in the cell-gel constructs confirmed that these composite gels had certain osteogenic capacity. The obtained results suggest that these composite gels have promising potential in bone repair and regeneration.

Fluorescent carbon dots embedded in mesoporous silica nanospheres: A simple platform for Cr(VI) detection in environmental water

In this work, amino-functionalized mesoporous silica nanospheres (NH2-mSiO2) anchored with carbon dots (CDs) have been designed to construct an outstanding fluorescent sensor for heavy metal detection. Uniform mSiO2 was chosen to provide an optically transparent scaffold for immobilizing CDs. With the help of amino group modification on the surface of silica, benzene-1,4-diboronic acid (BA) was used as raw material to load CDs in the pores of mSiO2 by one-step solvothermal method. The proposed nanohybrid can solve the problem of aggregation-induced fluorescence quenching, leading to bright blue emission at 450 nm. Meanwhile, the fluorescence of NH2-mSiO2@CDs showed high sensitivity to Cr(VI) in acetic acid buffer solution (pH = 4) with detection limit as low as 5 nM by inner filter effect (IFE) and electrostatic interaction (EI). The proposed method can also be extended to other CDs-based detection systems for chemical/biological sensors.

Molecular dynamic simulations and quantum chemical calculations of adsorption process using amino-functionalized silica

Present study focused on the adsorption behavior of two cationic dyes (Neutral Red (NR) and Rhodamine B (RB)) on mesoporous silica (MPS) and amino-functionalized MPS with N1-(3-Trimethoxysilylpropyl) diethylenetriamine linker (TAF/MPS). In order to provide more details about adsorption mechanism of dyes on the adsorbents surface, the molecular dynamics (MD) simulations were employed. A very promising simulation approach for adsorption of NR and RB dyes by functionalized and bare MPS adsorbents were obtained by MD results. The obtained results of quantum chemical calculations confirmed the highest adsorption energy for TAF/MPS-water-RB configurations, while the MPS-water-NR had the lowest adsorption energy. According to the results, functionalization of MPS with amino groups led to improvement in adsorption affinity of both dyes. The Sigma profiles demonstrated higher RB adsorption on both adsorbent while lower HOMO–LUMO energy gap was observed for RB dye compared to NR dye. Based on the energies of the HOMO and LUMO, other quantum chemical descriptors were calculated for different dyes, water and adsorbent configurations. These descriptors include: hardness (η), softness (σ), chemical potential (μ), nucleophilicity (ɛ) and electrophilicity index (ω). It was observed that the chemical reactivity, softness, and polarizability of RB dye were more than that of NR dye. The results of this study provide deeper atomic/molecular understanding into the adsorption mechanism of dye molecules on adsorbent surface which could help to get new insights about interactions of molecules. Moreover, MD simulation can be a very useful approach in term of cost-efficient and time saving for predicting the adsorption behavior of structures.