Search Results (33)

A green microalgal strain, identified as Dunaliella sp., was isolated from the Tunisian southern region. The enhancement of its protein and protease production was performed through culture condition optimization using the response surface methodology. The optimal conditions for protein and protease production were found to be, respectively, (i) NaCl concentrations of 135 and 45.55 g/L, (ii) NaHCO₃ concentrations of 0.5 and 1.5 g/L, (iii) temperature of 28 °C for both, and (iv) light intensities of 400 and 100 µmol photons/m²/s. The optimization led to an increase in microalgae protein content from 11.98% ± 0.26 to 18.39% ± 0.10 and microalgae proteolytic activity from 7.36 ± 0.74 U/mg to 12.54 ± 0.86 U/mg. Specific focus was attributed to ATP-dependent metalloprotease, namely, FtsH2, which is involved in numerous cellular processes including cell division, cell differentiation, signal transduction, and stress response. Differential expression of the FtsH2 gene under various stress conditions showed that this expression was upregulated in response to salt stress, gibberellic acid, and Indole-3-butyric acid. A 3D modeling demonstrated two possible arrangements where the ATPase ring shows either a perfect six-fold symmetry with an open circular entrance covering the crucial pore residues, or a translocated model triggered by substrate binding inward movement of the aromatic pore residues. Full article

Drilling fluids play an essential role in shale gas development. It is not possible to scale up the use of water-based drilling fluid in shale gas drilling in Yunnan, China, because conventional inhibitors cannot effectively inhibit the hydration of the illite-rich shale formed. In this study, the inhibition performance of modified asphalt was evaluated using the plugging test, expansion test, shale recovery experiment, and rock compressive strength test. The experimental results show that in a 3% modified asphalt solution, the expansion of shale is reduced by 56.3%, the recovery is as high as 97.8%, water absorption is reduced by 24.3%, and the compression resistance is doubled compared with those in water. Moreover, the modified asphalt can effectively reduce the fluid loss of the drilling fluid. Modified asphalt can form a hydrophobic membrane through a large amount of adsorption on the shale surface, consequently inhibiting shale hydration. Simultaneously, modified asphalt can reduce the entrance of water into the shale through blocking pores, micro-cracks, and cracks and further inhibit the hydration expansion of shale. This demonstrates that modified asphalt will be an ideal choice for drilling shale gas formations in Yunnan through water-based drilling fluids. Full article

The entrance of even a small amount of phosphorus compounds into natural waters leads to global problems that require the use of modern purification technologies. This paper presents the results of testing a hybrid electrobaromembrane (EBM) method for the selective separation of Cl⁻ (always present in phosphorus-containing waters) and H₂PO₄⁻ anions. Separated ions of the same charge sign move in an electric field through the pores of a nanoporous membrane to the corresponding electrode, while a commensurate counter-convective flow in the pores is created by a pressure drop across the membrane. It has been shown that EBM technology provides high fluxes of ions being separated across the membrane as well as a high selectivity coefficient compared to other membrane methods. During the processing of solution containing 0.05 M NaCl and 0.05 M NaH₂PO₄, the flux of phosphates through a track-etched membrane can reach 0.29 mol/(m²×h). Another possibility for separation is the EBM extraction of chlorides from the solution. Its flux can reach 0.40 mol/(m²×h) through the track-etched membrane and 0.33 mol/(m²×h) through a porous aluminum membrane. The separation efficiency can be very high by using both the porous anodic alumina membrane with positive fixed charges and the track-etched membrane with negative fixed charges due to the possibility of directing the fluxes of separated ions in opposite sides. Full article

Because of the growing demand for energy, oil extraction under complicated geological conditions is increasing. Herein, oil displacement by CO₂ in wedge-shaped pores was investigated by molecular dynamics simulation. The results showed that, for both single and double wedge-shaped models, pore Ⅱ (pore size from 3 to 8 nm) exhibited a better CO₂ flooding ability than pore Ⅰ (pore size from 8 to 3 nm). Compared with slit-shaped pores (3 and 8 nm), the overall oil displacement efficiency followed the sequence of 8 nm > double pore Ⅱ > single pore Ⅱ > 3 nm > double pore Ⅰ > single pore Ⅰ, which confirmed that the exits of the wedge-shaped pores had determinant effects on CO₂ enhanced oil recovery over their entrances. “Oil/CO₂ inter-pore migration” and “siphoning” phenomena occurred in wedge-shaped double pores by comparing the volumes of oil/CO₂ and the center of mass. The results of the interaction and radial distribution function analyses indicate that the wide inlet and outlet had a larger CO₂–oil contact surface, better phase miscibility, higher interaction, and faster displacement. These findings clarify the CO₂ flooding mechanisms in wedge-shaped pores and provide a scientific basis for the practical applications of CO₂ flooding. Full article

To better understand the functionality of organic anion transporting polypeptides (OATPs) and to design new ligands, reliable structural data of each OATP is needed. In this work, we used a combination of homology model with molecular dynamics simulations to generate a comprehensive structural dataset, that encompasses a diverse set of OATPs but also their relevant conformations. Our OATP models share a conserved transmembrane helix folding harbouring a druggable binding pocket in the shape of an inner pore. Our simulations suggest that the conserved salt bridges at the extracellular region between residues on TM1 and TM7 might influence the entrance of substrates. Interactions between residues on TM1 and TM4 within OATP1 family shown their importance in transport of substrates. Additionally, in transmembrane (TM) 1/2, a known conserved element, interact with two identified motifs in the TM7 and TM11. Our simulations suggest that TM1/2-TM7 interaction influence the inner pocket accessibility, while TM1/2-TM11 salt bridges control the substrate binding stability. Full article

Seeking effective energy technology has become a herculean task in today’s world. Sodium-ion batteries play a vital role in the present energy tech market due to their entrancing electrochemical properties and this work is a breakthrough for developing sodium-ion batteries. As per recent reports, the preparation of anode materials seems to be very tedious in the realm of sodium-ion batteries. To remedy these issues, this work enlightens the preparation of hard carbon (HC) derived from coconut sheath (CS) by a pyrolysis process with different activating agents (KOH, NaOH, ZnCl₂) and employed as an anode material for Sodium-ion batteries (SIBs). The prepared anode material was characterized for its thermal, structural, functional, morphological, and electrochemical properties. Additionally, the surface area and pore diameter of the as-prepared anode material was studied by nitrogen adsorption and desorption isotherm methods. The coconut sheath-derived hard carbon (CSHC) anode material delivered an initial charge capacity of 141 mAh g⁻¹, 153 mAh g⁻¹, and 162 mAh g⁻¹ at a 1 C rate with a coulombic efficiency over 98.8%, 99.3%, and 99.5%, even after 100 cycles, respectively. Full article

The passage of a bubble and the required energy for its motion through a confining pore can potentially be affected by the surface roughness and geometry of the pore. The motion of an isolated bubble passing through four different pore geometries (three circular pores, a smooth pore and 2 with different roughness, and a sharp triangular pore) is investigated. The shape of the deformed bubble passing these geometries was evaluated to determine the pressure drop across the bubble and hence the driving force to cause motion. The results of investigating the motion of the bubbles and the change in the pressure and velocity of the bubbles showed that the pore shape and surface roughness have a significant effect on the passage of the isolated phase. The motion of the bubble entering the entrance of the circular pores was similar for all circular cases. On exiting, however, a clear difference between the cases due to the presence of the peaks of the roughness was observed. These results indicate that, in addition to the critical pressure at the entrance of the pore, extra resistance will be introduced due to bubble phase pinning at the exit caused by roughness of the pore. Full article

Oxidized mesoporous carbon C_SBA-15, obtained by the hard method, was applied to remove rhodamine B from the aqueous system. The process of carbon oxidation was performed using 0.5 and 5 M of nitric (V) acid solution at 70 and 100 °C. Functionalization of mesoporous carbon with HNO₃ solutions led to reduction in the surface area, pore volume, and micropore area, however, it also led to an increased number of oxygen functional groups of acidic character. The functional groups probably are located at the entrance of micropores, in this way, reducing the values of textural parameters. Isotherms of rhodamine B adsorption indicate that the oxidation of mesoporous carbons resulted in an increase in the effectiveness of the removal of this dye from aqueous solutions. The influence of temperature, pH, and contact time of mesoporous material/rhodamine B on the effectiveness of dye removal was tested. The process of dye adsorption on the surfaces of the materials studied was established to be most effective at pH 12 and at 60 °C. Kinetic studies of the process of adsorption proved that the equilibrium state between the dye molecules and mesoporous carbon materials is reached after about 1 h. The adsorption kinetics were well fitted using a pseudo-second-order model. The most effective in rhodamine B removal was the sample C_SBA-15-5-100, containing the greatest number of oxygen functional groups of acidic character. The Langmuir model best represented equilibrium data. Full article

Natural zeolite clinoptilolite CLIN with a framework ratio of Si/Al ≥ 4 containing mainly potassium and calcium ions in its internal channel system was used as a starting material. The acidic HCLIN catalysts were prepared under soft conditions avoiding the use of environmental less-benign mineral acids. The starting material was ion exchanged using a 0.2 M aqueous ammonium nitrate solution at a temperature 80 °C for 2 h. The obtained NH₄CLIN was converted into the acid HCLIN catalyst by calcination at 300–600 °C. The obtained samples were characterized by XRD, FTIR, SEM/TEM, AAS, and EDX element mapping. The state of aluminium and silicon was studied by ²⁷Al- and ²⁹SiMAS NMR spectroscopy. The textural properties of the catalysts were investigated by nitrogen adsorption and desorption measurements. The Brønsted acidity of the HCLIN catalysts was studied by temperature-programmed decomposition of the exchanged ammonium ions releasing ammonia as well as ¹H MAS NMR, {¹H–²⁷Al} Trapdor, and {¹H–²⁷Al} Redor experiments. The strongly agglomerated samples were crystalline and thermally stable up to >500 °C. Although a part of the clinoptilolite framework is maintained up to 600 °C, a loss of crystallinity is already observed starting from 450 °C. The specific surface areas of the starting CLIN and ammonium exchanged NH₄CLIN are low with ca. 26 m²/g. The pores are nearly blocked by the exchangeable cations located in the zeolite pores. The thermal decomposition of the ammonium ions by calcination at 400 °C causes an opening of the pore entrances and a markable increase in the specific micropore area and micropore volume to ca. 163 m²/g and 0.07 cm³/g, respectively. It decreases with further rising calcination temperature indicating some structural loss. The catalysts show a broad distribution of Brønsted acid sites (BS) ranging from weak to strong sites as indicated the thermal decomposition of exchanged ammonium ions (TPDA). The ammonium ion decomposition leaving BS, i.e., H⁺ located at Al–O–Si framework bridges, starts at ≥250 °C. A part of the Brønsted sites is lost after calcination specifically at 500 °C. It is related to the formation of penta-coordinated aluminium at the expense of tetrahedral framework aluminium. The Brønsted sites are partially recreated after repeated ammonium ion exchange. The catalytic performance of the acidic HCLIN catalysts was tested in the etherification of glycerol as a green renewable resource with different C₁-C₄ alcohols. The catalysts are highly active in the etherification of glycerol, especially with alcohols containing the branched, tertiary alkyl groups. Highest activity is observed with the soft activated catalyst HCLIN300 (300 °C, temperature holding time: 1 min). A total of 78% conversion of glycerol to mono and di ether were achieved with tert-butanol at 140 °C after 4 h of reaction. The mono- and di-ether selectivity were 75% and 25%, respectively. The catalyst can be reused. Full article

A strategy for the bioconjugation of the enzyme Candida antarctica lipase B onto titania ceramic membranes with varied pore sizes (15, 50, 150, and 300 kDa) was successfully performed. The relationship between the membrane morphology, i.e.,the pore size of the ceramic support, and bioconjugation performance was considered. Owing to the dimension of the enzyme (~33 kDa), the morphology of the ceramics allowed (50, 150, and 300 kDa) or did not allow (15 kDa) the entrance of the enzyme molecules into the porous structure. Such a strategy made it possible to better understand the changes in the material (morphology) and physicochemical features (wettability, adhesiveness, and surface charge) of the samples, which were systematically examined. The silane functionalization and enzyme immobilization were accomplished via the covalent route. The samples were characterized after each stage of the modification, which was very informative from the material point of view. As a consequence of the modification, significant changes in the contact angle, roughness, adhesion, and zeta potential were observed. For instance, for the 50 kDa membrane, the contact angle increased from 29.1 ± 1.5° for the pristine sample to 72.3 ± 1.5° after silane attachment; subsequently, it was reduced to 57.2 ± 1.5° after the enzyme immobilization. Finally, the contact angle of the bioconjugated membrane used in the enzymatic process rose to 92.9 ± 1.5°. By roughness (S_q) controlling, the following amendments were noticed: for the pristine 50 kDa membrane, S_q = 1.87 ± 0.21 µm; after silanization, S_q = 2.33 ± 0.30 µm; after enzyme immobilization, S_q = 2.74 ± 0.26 µm; and eventually, after the enzymatic process, S_q = 2.37 ± 0.27 µm. The adhesion work of the 50 kDa samples was equal to 136.41 ± 2.20 mN m⁻¹ (pristine membrane), 94.93 ± 2.00 mN m⁻¹ (with silane), 112.24 ± 1.90 mN m⁻¹ (with silane and enzyme), and finally, 69.12 ± 1.40 mN m⁻¹ (after the enzymatic process). The materials and physicochemical features changed substantially, particularly after the application of the membrane in the enzymatic process. Moreover, the impact of ceramic material morphology on the zeta potential value is here presented for the first time. With an increase in the ceramic support cut-off, the amount of immobilized lipase rose, but the specific productivity was higher for membranes possessing smaller pores, owing to the higher grafting density. For the enzymatic process, two modes of accomplishment were selected, i.e., stirred-tank and cross-flow. The latter method was characterized by a much higher effectiveness, with a resulting productivity equal to 99.7 and 60.3 µmol h⁻¹ for the 300 and 15 kD membranes, respectively. Full article

Detonation nanodiamond aggregates contain water that is removed by thermal treatments in vacuo, leaving available pores for the adsorption of target molecules. A hard hydrogel of detonation nanodiamonds was thermally treated at 423 K for 2 h, 10 h, and 52 h in vacuo to determine the intensive water adsorption sites and clarify the hygroscopic nature of nanodiamonds. Nanodiamond aggregates heated for long periods in vacuo agglomerate due to the removal of structural water molecules through the shrinkage and/or collapse of the pores. The agglomerated nanodiamond structure that results from long heating periods decreases the nitrogen adsorption but increases the water adsorption by 40%. Nanodiamonds heated for long times possess ultramicropores <0.4 nm in diameter in which only water molecules can be adsorbed, and the characteristic mouth-shaped mesopores adsorb 60% more water than nitrogen. The pore mouth controls the adsorption in the mesopores. Long-term dehydration partially distorts the pore mouth, decreasing the nitrogen adsorption. Furthermore, the nitrogen adsorbed at the pore mouth suppresses additional nitrogen adsorption. Consequently, the mesopores are not fully accessible to nitrogen molecules because the pore entrances are blocked by polar groups. Thus, mildly oxidized detonation nanodiamond particles can show a unique molecular sieving behavior. Full article

A new generation of SBA-15, plugged SBA-15, was initially synthesized in 2002 using extra silica precursors (Si/organic template molar ratios ≈ 80–140) in the gel mixture. The plugged SBA-15 materials possess short cylinders (length ≈ 20–100 nm), which are connected to neighbors by constricted entrances (windows) through the central axis. The gas adsorption–desorption isotherms of plugged SBA-15 materials present unique hysteresis loop Type H5 classification identified by IUPAC in 2015, which is related to certain pore structures containing open and plugged mesopores. The plugged SBA-15 has been used to support various types of catalysts, including metal complexes, metal nanocatalysts, and active metals by the incorporation in their framework demonstrating excellent (enantio)selectivity, stability against coke, and thermal stability. The plugged SBA-15 materials bear the other unique properties of the ship-in-the-bottle synthesis of, e.g., metal complexes that confine homogeneous catalysts, which is not possible by conventional SBA-15 due to leaching. In this mini-review, the challenges and progress of the synthesis in controlling the plugging and incorporation of metals and organic moiety in their framework, characterizing the short mesochannel dimensions (window and length sizes) by several advanced techniques and applying plugged SBA-15 materials in heterogeneous catalysis for challenging reactions, has been discussed. Full article

Mesoporous silica nanoparticles have been widely applied as carriers for cancer treatment. Among the different types of stimuli-responsive drug delivery systems, those sensitive to redox stimuli have attracted much attention. Their relevance arises from the high concentration of reductive species that are found within the cells, compared to bloodstream, which leads to the drug release taking place only inside cells. This review is intended to provide a comprehensive overview of the most recent trends in the design of redox-responsive mesoporous silica nanoparticles. First, a general description of the biological rationale of this stimulus is presented. Then, the different types of gatekeepers that are able to open the pore entrances only upon application of reductive conditions will be introduced. In this sense, we will distinguish among those targeted and those non-targeted toward cancer cells. Finally, a new family of bridged silica nanoparticles able to degrade their structure upon application of this type of stimulus will be presented. Full article

In this work, the effects of the deteriorating affinity-related properties of membranes due to leaching and erosion on their rejection capacity were studied via computational fluid dynamics (CFD). The function of affinity-enhancing agents is to modify the wettability state of the surface of a membrane for dispersed droplets. The wettability conditions can be identified by the contact angle a droplet makes with the surface of the membrane upon pinning. For the filtration of fluid emulsions, it is generally required that the surface of the membrane is nonwetting for the dispersed droplets such that the interfaces that are formed at the pore openings provide the membrane with a criterion for the rejection of dispersals. Since materials that make up the membrane do not necessarily possess the required affinity, it is customary to change it by adding affinity-enhancing agents to the base material forming the membrane. The bonding and stability of these materials can be compromised during the lifespan of a membrane due to leaching and erosion (in crossflow filtration), leading to a deterioration of the rejection capacity of the membrane. In order to investigate how a decrease in the contact angle can lead to the permeation of droplets that would otherwise get rejected, a CFD study was conducted. In the CFD study, a droplet was released in a crossflow field that involved a pore opening and the contact angle was considered to decrease with time as a consequence of the leaching of affinity-enhancing agents. The CFD analysis revealed that the decrease in the contact angle resulted in the droplet spreading over the surface more. Furthermore, the interface that was formed at the entrance of the pore opening flattened as the contact angle decreased, leading the interface to advance more inside the pore. The droplet continued to pass over the pore opening until the contact angle reached a certain value, at which point, the droplet became pinned at the pore opening. Full article

Several antidepressants inhibit nicotinic acetylcholine receptors (nAChRs) in a non-competitive and voltage-dependent fashion. Here, we asked whether antidepressants with a different structure and pharmacological profile modulate the rat α7 nAChR through a similar mechanism by interacting within the ion-channel. We applied electrophysiological (recording of the ion current elicited by choline, I_Ch, which activates α7 nAChRs from rat CA1 hippocampal interneurons) and in silico approaches (homology modeling of the rat α7 nAChR, molecular docking, molecular dynamics simulations, and binding free energy calculations). The antidepressants inhibited I_Ch with the order: norfluoxetine ~ mirtazapine ~ imipramine < bupropion ~ fluoxetine ~ venlafaxine ~ escitalopram. The constructed homology model of the rat α7 nAChR resulted in the extracellular vestibule and the channel pore is highly negatively charged, which facilitates the permeation of cations and the entrance of the protonated form of antidepressants. Molecular docking and molecular dynamics simulations were carried out within the ion−channel of the α7 nAChR, revealing that the antidepressants adopt poses along the receptor channel, with slightly different binding-free energy values. Furthermore, the inhibition of I_Ch and free energy values for each antidepressant-receptor complex were highly correlated. Thus, the α7 nAChR is negatively modulated by a variety of antidepressants interacting in the ion−channel. Full article