The zinc absorption of the novel peptide-Zn complex in Caco-2 cells: effects of soybean peptides charge and hydrophobicity.

BACKGROUND: The supplemental effect of zinc depends not only on adequate intake, but also on how efficiently it is absorbed in the small intestine. In the present study, weak hydrophobic peptides (WHP), strong hydrophobic peptides (SHP), positively charged peptides (PCP) and negatively charged peptides (NCP) were isolated from soybean peptides (SP). The peptide-Zn complexes (PCP-Zn, NCP-Zn, WHP-Zn, SHP-Zn and SP-Zn) were prepared to compare their promotion zinc absorption capacity in the Caco-2 cells monolayers model. RESULTS: We found that the carboxyl, carbonyl and amino groups in peptide were the primary binding sites of Zn. Compared with zinc sulfate, the peptide-Zn complexes with different charge and hydrophobic peptides could improve zinc solubility at different pH. NCP-Zn had a lower Zn-binding capacity but a higher zinc absorption capacity compared to that of PCP-Zn in Caco-2 cells. In addition, the capacity of PCP-Zn to promote zinc absorption was lower than the control group (SP-Zn). There were no significant differences in transport rates, retention rates and uptake rates of WHP-Zn, SHP-Zn and SP-Zn. NCP-Zn could improve the activity of Zn-related enzymes, and the expression levels of PepT1 and ZnT1 were higher than other peptide-Zn complexes. CONCLUSION: The promotion zinc absorption capacity of peptide-Zn complexes was not completely dependent on the Zn-binding capacity, but also depended on the charge and hydrophobicity of peptides. © 2024 Society of Chemical Industry.

Combined charge and hydrophobicity-guided screening of antibacterial peptides: two-level approach to predict antibacterial activity and efficacy.

Antibacterial peptides can be a potential game changer in the fight against antibiotic resistance. In order for these peptides to become successful antibiotic alternatives, it is essential that they possess high efficacy in addition to just being antibacterial. In this study, we have developed a two-level SVM-based binary classification approach to predict the antibacterial activity of a given peptide (model 1) and thereafter classify its antibacterial efficacy as high/low (model 2) with respect to minimum inhibitory concentration (MIC) values against Staphylococcus aureus, one of the most common pathogens. Based on charge and hydrophobicity of amino acids, we developed a sequence-based combined charge and hydrophobicity-guided triad (CHT) as a new method for obtaining features of any peptide. Model 1 with a combination of CHT and amino acid composition (AAC) as the feature representation method resulted in the highest accuracy of 96.7%. Model 2 with CHT as the feature representation method yielded the highest accuracy of 70.9%. Thus, CHT is found to be a potential feature representation method for classifying antibacterial peptides based on both activity and efficacy. Furthermore, we have also used an explainable machine learning algorithm to extract various insights from these models. These insights are found to be in excellent agreement with experimental findings reported in the literature, thus enhancing the dependability of the proposed models.

Comparative roles of three adhesin genes (adh1-3) in insect-pathogenic lifecycle of Beauveria bassiana.

Adherence of conidia to insect integument is crucial for initiation of fungal infection through cuticular penetration and was previously reported to rely upon the Metarhizium-type adhesin Mad1 rather than Mad2, another adhesin crucial for conidial adherence of Metarhizium anisopliae to plant root surface. Mad1 and Mad2 have since been considered to function in fungal insect pathogenesis and plant root colonization respectively. Here, three adhesins were characterized in Beauveria bassiana, including Adh1/Mad1, Adh2/Mad2, and Adh3 known as filamentous hemagglutinin/adhesin and virulence factor in animal-pathogenic bacteria. Among those, only Adh2 was found to play a substantial role in sustaining the fungal virulence and some phenotypes associated with biological control potential. Disruption of adh2 resulted in decreased conidial adherence to insect wing cuticle, attenuated virulence via normal cuticle infection or cuticle-bypassing infection (injection), reduced blastospore production in an insect hemolymph-mimicking broth, largely reduced conidiation capacity, impaired conidial quality indicative of lowered viability, hydrophobicity, and UV resistance, but no growth defects on rich and scant media under normal or stressful culture conditions. The main phenotypic changes correlated well with repressed expression of developmental activator genes required for aerial conidiation and submerged blastospore production and of key hydrophobin genes essential for hydrophobin synthesis and assembly into rodlet bundles of conidial coat crucial for conidial adherence. In contrast, either adh1 or adh3 disruption caused insignificant changes in all phenotypes examined. These findings offer novel insight into a significance of Adh2, but a dispensability of Adh1 or Adh3, for insect-pathogenic lifecycle of B. bassiana. KEY POINTS: • Three adhesins (Adh1-3) of Beauvera bassiana are functionally characterized. • Adh2 plays a role in sustaining virulence and lifecycle-related cellular events. • Either Adh1 or Adh3 is dispensable for insect-pathogenic lifecycle of B. bassiana.

Zinc binding promotes greater hydrophobicity in Alzheimer's Aß42 peptide than copper binding: Molecular dynamics and solvation thermodynamics studies.

The aggregation of Aß42 peptides is considered as one of the main causes for the development of Alzheimer's disease. In this context, Zn2+ and Cu2+ play a significant role in regulating the aggregation mechanism, due to changes in the structural and the solvation free energy of Aß42. In practice, experimental studies are not able to determine the latter properties, since the Aß42-Zn2+ and Aß42-Cu2+ peptide complexes are intrinsically disordered, exhibiting rapid conformational changes in the aqueous environment. Here, we investigate atomic structural variations and the solvation thermodynamics of Aß42, Aß42-Cu2+ , and Aß42-Zn2+ systems in explicit solvent (water) by using quantum chemical structures as templates for a metal binding site and combining extensive all-atom molecular dynamics (MD) simulations with a thorough solvation thermodynamic analysis. Our results show that the zinc and copper coordination results in a significant decrease of the solvation free energy in the C-terminal region (Met35-Val40), which in turn leads to a higher structural disorder. In contrast, the ß-sheet formation at the same C-terminal region indicates a higher solvation free energy in the case of Aß42. The solvation free energy of Aß42 increases upon Zn2+ binding, due to the higher tendency of forming the ß-sheet structure at the Leu17-Ala42 residues, in contrast to the case of binding with Cu2+ . Finally, we find the hydrophobicity of Aß42-Zn2+ in water is greater than in the case of Aß42-Cu2+ .

Visual detection of the prostate specific antigen via a sandwich immunoassay and by using a superwettable chip coated with pH-responsive silica nanoparticles.

A pH-responsive superwettable chip is described whose surface can switch between superhydrophobic and superhydrophilic. It can be used for the visual detection of the prostate specific antigen (PSA) based on contact angle readout. Magnetic beads were modified with primary antibody against PSA. After immunobinding, gold nanoparticles loaded with secondary antibody labeled with glucose oxidase is added. On addition of glucose, gluconic acid is formed which causes a drop in the local pH value. This results in a wettability switch of the pH-responsive superwettable chip from hydrophobic to hydrophilic. Under the optimized conditions, PSA can be quantified with a 3.2 pg mL-1 limit of detection by analyzing the contact angle and the related color that changes from blue via orange to red. The method is applicable to PSA detection in serum samples and for visual classification by cancer patients and healthy persons. It is also suitable for color-blind and color-weak individuals. Conceivably, this kind of assay can be transferred to the determination of various kinds of other bioanalytes including nucleotide, proteins, and even of ions and small organic molecules, and thus is has a wide scope. Graphical abstract Schematic presentation of a pH-responsive superwettable chip coated with silica nanoparticles for the visual detection of prostate specific antigen (PSA) by reading the contact angle. The superwettable chip achieves reliable clinical detection of serum PSA from prostate cancer patients.

Cellulose acetate-based electrospun nanofiber aerogel with excellent resilience and hydrophobicity for efficient removal of drug residues and oil contaminations from wastewater.

Cellulose acetate (CA)-based electrospun nanofiber aerogel (ENA) has drawn extensive attention for wastewater remediation due to its unique separation, inherent porosity and biodegradability. However, the low mechanical strength, poor durability, and limited adsorption ability hinder its further applications. We herein propose using silane-modified ENA, namely T-CA@Si@ZIF-67 (T-ENA), with enhanced resilience, hydrophobicity, durability and hetero-catalysis to remediate a complex wastewater containing oil and drug residues. The robust T-ENA was fabricated by pre-doping tetraethyl orthosilicate (TEOS) and ligand in its spinning precursors, followed by in-situ anchoring of porous ZIF-67 on the electrospun nanofibers (ENFs) via seeding method before freeze-drying and thermal curing (T). Results show that the T-ENA displays enhanced mechanical stability/resilience and hydrophobicity without compromise of its high porosity (>98 %) and low density (10 mg/cm3) due to the silane cross-linking. As a result, the hydrophobic T-ENA shows over 99 % separation efficiency towards different oil-water solutions. Meanwhile, thanks to the enhanced adsorption-catalytic ability and the activation of peroxymonosulfate (PMS) from the porous ZIF-67, fast degradation of carbamazepine (CBZ) residue in the wastewater can be achieved within 20 min. This work might provide a novel strategy for developing CA aerogels to remove organic pollutants.

Translating Catalyst-Polymer Composites from Liquid to Gas-Fed CO2 Electrolysis: A CoPc-P4VP Case Study.

The electrochemical CO2 reduction reaction (CO2RR) in gas-fed flow electrolyzers using gas diffusion electrodes (GDEs) generates industrially relevant activities and provides a promising approach for carbon recycling. Developing effective catalyst systems on GDEs is critical for achieving high activities. Catalyst-polymer composites (CPCs) formed between immobilized molecular catalysts and coordinating polymers exhibit positive synergies for the enhancement of CO2RR activity. However, previous studies of CPCs have been primarily confined to liquid reaction platforms, and there are few examples of translating CPCs to GDE architectures. This suggests a knowledge gap exists in translating between the two platforms. Herein, we identify and bridge that gap by demonstrating a case study for the (poly-4-vinylpyridine)-encapsulated cobalt phthalocyanine (CoPc-P4VP) CPC. We identify a major knolwedge gap in the overlooked factor of CPC's hydrophobicity, which plays a significant role in gas-fed CO2RR but is often neglected in fundamental studies conducted on the liquid reaction platform. We bridge this gap by correlating catalyst hydrophobicity in liquid CO2RR with activity in gas-fed CO2RR by means of water contact angle measurements. Our case study underscores the importance of incorporating an engineering perspective into CPC studies and the necessity to consider hydrophobicity in CPC design and evaluation. This approach will hopefully accelerate the applied studies of this group of promising catalytic materials in gas-fed CO2 electrolysis.

Pyrolysis of cellulose: Correlation of hydrophilicity with evolution of functionality of biochar.

Biochar is a carbonaceous material from pyrolysis of biomass, the application of which is governed by its various properties such as the distribution of the functionalities and the associated hydrophilic/hydrophobic nature. This study particularly focused on the correlation of functionalities of biochar with its polarities by conducting the pyrolysis of cellulose from 200 to 700 °C and the characterization of the biochar. The results demonstrated that -OH, instead of CO or C-O-C, played decisive roles in formation of the biochar with hydrophilic surface. The results showed that the maximum of -OH abundance and the aliphatic CH was reached at 440 °C. The significant transition of oxygen-rich functionalities to carbon-rich functionalities occurred in the temperature from 460 to 700 °C. The dominance of aromatization process above this temperature range resulted in the significant increase of hydrophobicity of the biochar. The hydrophilic surface was of importance for the use of biochar as support for promoting the dispersion of Cu in Cu/biochar by generating the bonding sites for chelating with Cu2+.

Sustainable and efficient reduction of pollutants by immobilized PEG-P/Ag/Ag2O/Ag3PO4/TiO2 photocatalyst for purification of saline wastewater.

In this study, we have reported an efficient and stable degradation of pollutants at salinity condition using newly developed solar-light-driven silicone-TiO2 based photocatalytic immobilized system. The interfacial layer of Silicone-PEG-P/Ag/Ag2O/Ag3PO4/TiO2 (S-PEG/PAgT) photocatalyst exhibited higher surface roughness, hydrophobicity, better light absorption, and narrow band gap than S-TiO2. The Rh B degradation by S-PEG/PAgT (91.2%) was 1.71 folds higher than S-TiO2 (53.5%) under simulated solar light irradiation. The reduction rate was significantly higher in S-PEG/PAgT (0.0792 min-1) than S-TiO2 (0.0229 min-1). The S-PEG/PAgT demonstrated high TOC removal (>80%), high repeatability (10 cycles) and excellent activity after 30 days of incubation in aqueous NaCl. The mechanism analysis revealed the synergistic effect of surface morphology with irregular chamfered edges and photoinduced reactive species (O2-) with successive formation of free chlorine radicals (Cl) contributed to the removal of pollutants in saline wastewater. Therefore, considering the above advantages of high efficiency and effective elimination of organics illustrates the potential of newly developed S-PEG/PAgT immobilized system in long-term practical treatment real seawater and ballast water.

Effects of surface charge, hydrophilicity and hydrophobicity on functional biocathode catalytic efficiency and community structure.

The bioelectrotransformation efficiency of various organic matters and corresponding electrode biofilm community formation as well as electron transfer efficiency in bioelectrochemical systems (BESs) with different modified electrodes has been extensively studied on the anode side. However, the effects of cathode interface characteristics towards the BESs bioelectrotransformation performance remain poorly understood. In this study, the nitrobenzene-reducing biocathode catalytic efficiency and community structure in response to different modified electrodes (control: hydrophobic and no charge; -SH: hydrophobic and single negative charge; -NH2: hydrophilic and single positive charge -NH-NH2: hydrophilic and double positive charges) were investigated. The biocathode transformation efficiency of nitrobenzene (NB) to aniline (AN) (ENB-AN) was affected by the nature of electrode interface as well as the biocathode community formation and structure. Cathodes with hydrophilic surface and positive charges have performed well in the bioelectrotransformation experiments, and especially made an outstanding performance when inorganic NaHCO3 was supplied as carbon source and cathode as the sole electron donor. Importantly, the hydrophilic surfaces with positive charges were dominated by the electroactive nitroaromatic reducers (Enterococcus, Desulfovibrio and Klebsiella) with the relative abundance as high as 72.20 ±â€¯1.87% and 74.86 ±â€¯8.71% for -NH2 and -NH-NH2 groups respectively. This could explain the higher ENB-AN in the hydrophilic groups than that of the hydrophobic -SH modified group. This study provides new insights into the effects of electrode interface characteristics on the BESs biocathode performance and offers some suggestions for the future design for the improvement of bioelectroremediation performance.

[Transformation of Disinfection Byproduct Precursors During the Wastewater Regeneration Processes].

Disinfection byproduct(DBP) precursors during the wastewater regeneration processes were separated into hydrophilic fraction(HPI), hydrophobic fraction(HPO) and transphilic fraction(TPI) with macroporous resin. DBP precursors in these water samples were characterized with fluorescence excitation emission matrix, Fourier transformation infrared and nuclear magnetic resonance, and were further tested for their DBP formation potential(DBPFP) after chlorination. The results indicated that main DBP precursors in sewage were humic acid and aliphatic hydrocarbons, and were mainly dominated by HPI. Primary treatment(sedimentation) could effectively remove hydrophobic humic acid through the mutual exclusion between HPO and water. The removal of humic acid would lead to the obvious reduction of carbonaceous disinfection byproduct formation potential(C-DBPFP). In addition, nitrogenous disinfection byproduct formation potential(N-DBPFP) was found to be increased due to the increase of DON/DOC value. Although secondary treatment(biotreatment) was effective in removing humic acid and aliphatic hydrocarbons, it could produce a large amount of soluble microbial products(SMP), which led to the enhancement of HPO percentage. And the accumulation of SMP resulted in the significant increase of C-DBPFP and N-DBPFP. Humic acid and hydrophobic SMP could be removed by the advanced treatment(cloth filtration), leading to the reduction of HPO percentage and the increase of HPI percentage. The decrease of humic acid and hydrophobic SMP would cause the reduction of C-DBPFP and N-DBPFP in the advanced treatment.

Transport, retention, and long-term release behavior of polymer-coated silver nanoparticles in saturated quartz sand: The impact of natural organic matters and electrolyte.

This study investigated the transport and long-term release of stabilized silver nanoparticles (AgNPs), including polyvinylpyrrolidone-coated AgNPs (PVP-AgNPs) and bare AgNPs (Bare-AgNPs), in the presence of natural organic matters (NOMs; both humic acids (HA) and alginate (Alg)) and an electrolyte (Ca2+) in a sand-packed column. Very low breakthrough rate (C/C0) of AgNPs (below 0.04) occurred in the absence of NOM and the electrolyte. Increasing the concentration of NOM and decreasing the influent NOM solution's ionic strength (IS) reduced the retention of AgNPs. The reduced NP retention at high NOM and low IS was mainly attributed to the increased energy barrier between the AgNPs and the sand grain surface. Notably, the retention of PVP-AgNPs was enhanced at high Alg concentration and low IS, which mainly resulted from the improved hydrophobicity that could increase the interaction between the PVP-AgNPs and the collector. The total release amount of PVP-AgNPs (10.03%, 9.50%, 28.42%, 6.37%) and Bare-AgNPs (3.28%, 2.58%, 10.36%, 1.54%) were gained when exposed to four kinds of NOM solutions, including deionized water, an electrolyte solution (1 mM Ca2+), HA with an electrolyte (1 mM Ca2+), and a Alg (40 mg/L) solution with an electrolyte (1 mM Ca2+). The long-term release of retained silver nanoparticles in the quartz sand was mostly through the form of released Ag NPs. The factors that increased the mobility of AgNPs in quartz sand could improve the release of the AgNPs. The release of AgNPs had no significant change in the presence Ca2+ but were increased in the presence of HA. The Alg slightly decreased the release of AgNPs by increasing the hydrophobicity of AgNPs. The results of the study indicated that all the tested NOM and Ca2+ have prominent influence on the transport and long-term release behavior of silver nanoparticles in saturated quartz sand.

Charge and hydrophobicity effects of NIR fluorophores on bone-specific imaging.

Recent advances in near-infrared (NIR) fluorescence imaging enabled real-time intraoperative detection of bone metastases, bone growth, and tissue microcalcification. Pamidronate (PAM) has been widely used for this purpose because of its high binding affinity toward bone and remarkable therapeutic effects. Herein we describe the development of a series of PAM-conjugated NIR fluorophores that varied in net charges and hydrophobicity, and compared their bone targeting efficiency, biodistribution, and blood clearance. Since the targeting moiety, PAM, is highly negatively charged but small, the overall in vivo bone targeting and biodistribution were mediated by the physicochemical properties of conjugated fluorophores.